*HEADER    OXIDOREDUCTASE                          05-SEP-06   2I9H              
*TITLE     NMR SOLUTION STRUCTURE OF THE REDUCED FORM OF THIOREDOXIN 1           
*TITLE    2 FROM YEAST (TRX1)                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOREDOXIN I;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: THIOREDOXIN ISOFORM 1, TR-I, THIOREDOXIN 2,;                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: TRX1, TRX2, YLR043C;                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET17B                                    
*KEYWDS    THIOREDOXIN, YEAST, OXIREDUCTASE                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.S.PINHEIRO, G.C.AMORIM, F.C.L.ALMEIDA, A.P.VALENTE                  
*REVDAT   1   17-JUL-07 2I9H    0                                                


#noes
assign (resid 16 and name HN) (resid 15 and name HD1#) 5.22 3.42 0.28
assign (resid 16 and name HN) (resid 15 and name HG2#) 4.77 2.97 0.73
assign (resid 15 and name HN) (resid 15 and name HD1#) 4.54 2.74 0.96
assign (resid 18 and name HN) (resid 17 and name HN) 4.35 2.55 1.15
assign (resid 18 and name HN) (resid 19 and name HN) 4.23 2.43 1.27
assign (resid 14 and name HN) (resid 11 and name HA) 3.86 2.06 1.64
assign (resid 13 and name HN) (resid 11 and name HN) 3.85 2.05 1.65
assign (resid 17 and name HN) (resid 81 and name HN) 3.84 2.04 1.66
assign (resid 17 and name HN) (resid 16 and name HB#) 3.78 1.98 1.72
assign (resid 10 and name HN) (resid 9 and name HA) 3.76 1.96 1.74
assign (resid 17 and name HN) (resid 15 and name HA) 3.69 1.89 1.81
assign (resid 15 and name HN) (resid 14 and name HA) 3.67 1.87 1.83
assign (resid 18 and name HN) (resid 17 and name HB#) 3.65 1.85 1.85
assign (resid 15 and name HN) (resid 14 and name HB#) 3.64 1.84 1.86
assign (resid 16 and name HN) (resid 15 and name HA) 3.62 1.82 1.88
assign (resid 15 and name HN) (resid 15 and name HG2#) 3.59 1.79 1.91
assign (resid 14 and name HN) (resid 16 and name HN) 3.46 1.66 2.04
assign (resid 11 and name HN) (resid 10 and name HA) 3.32 1.52 0.08
assign (resid 15 and name HN) (resid 15 and name HA) 3.27 1.47 0.13
assign (resid 15 and name HN) (resid 14 and name HN) 3.17 1.37 0.23
assign (resid 16 and name HN) (resid 15 and name HG1#) 3.17 1.37 0.23
assign (resid 11 and name HN) (resid 10 and name HB#) 3.16 1.36 0.24
assign (resid 14 and name HN) (resid 14 and name HB#) 3.12 1.32 0.28
assign (resid 16 and name HN) (resid 16 and name HB#) 3.12 1.32 0.28
assign (resid 15 and name HN) (resid 16 and name HN) 3.11 1.31 0.29
assign (resid 17 and name HN) (resid 16 and name HN) 3.10 1.30 2.40   
assign (resid 18 and name HN) (resid 80 and name HA) 3.07 1.27 0.33
assign (resid 14 and name HN) (resid 15 and name HN) 3.07 1.27 0.33
assign (resid 10 and name HN) (resid 11 and name HN) 3.04 1.24 0.36
assign (resid 12 and name HN) (resid 11 and name HN) 3.02 1.22 0.38
assign (resid 11 and name HN) (resid 11 and name HB#) 2.99 1.19 0.41
assign (resid 14 and name HN) (resid 13 and name HB#) 2.98 1.18 0.42
assign (resid 12 and name HN) (resid 12 and name HA) 2.96 1.16 0.44
assign (resid 11 and name HN) (resid 10 and name HN) 2.93 1.13 0.47
assign (resid 15 and name HN) (resid 15 and name HG1#) 2.93 1.13 0.47
assign (resid 16 and name HN) (resid 16 and name HA) 2.92 1.12 0.48
assign (resid 14 and name HN) (resid 14 and name HA) 2.91 1.11 0.49
assign (resid 12 and name HN) (resid 12 and name HB#) 2.89 1.09 0.51
assign (resid 13 and name HN) (resid 13 and name HA) 2.89 1.09 0.51
assign (resid 17 and name HN) (resid 17 and name HB#) 2.88 1.08 0.52
assign (resid 10 and name HN) (resid 8 and name HA) 2.88 1.08 0.52
assign (resid 17 and name HN) (resid 17 and name HG#) 2.86 1.06 0.54
assign (resid 13 and name HN) (resid 12 and name HB1) 2.83 1.03 0.57
assign (resid 16 and name HN) (resid 15 and name HN) 2.81 1.01 0.59
assign (resid 10 and name HN) (resid 10 and name HA) 2.80 1.00 0.00
assign (resid 11 and name HN) (resid 11 and name HA) 2.68 0.88 0.12
assign (resid 10 and name HN) (resid 10 and name HB#) 2.64 0.84 0.16
assign (resid 13 and name HN) (resid 13 and name HB#) 2.60 0.80 0.20
assign (resid 18 and name HN) (resid 18 and name HA) 2.40 0.60 0.40
assign (resid 12 and name HA) (resid 15 and name HD1#) 4.90 3.10 0.60
assign (resid 14 and name HB#) (resid 11 and name HA) 4.68 2.88 0.82
assign (resid 11 and name HA) (resid 14 and name HB#) 4.09 2.29 1.41
assign (resid 15 and name HG1#) (resid 15 and name HG2#) 3.99 2.19 1.51
assign (resid 14 and name HB#) (resid 15 and name HN) 3.96 2.16 1.54
assign (resid 11 and name HA) (resid 15 and name HN) 3.91 2.11 1.59
assign (resid 16 and name HB#) (resid 17 and name HN) 3.89 2.09 1.61
assign (resid 13 and name HA) (resid 15 and name HN) 3.86 2.06 1.64
assign (resid 17 and name HB#) (resid 17 and name HE21) 3.85 2.05 1.65
assign (resid 11 and name HB#) (resid 12 and name HN) 3.81 2.01 1.69
assign (resid 17 and name HB#) (resid 17 and name HN) 3.79 1.99 1.71
assign (resid 15 and name HB) (resid 15 and name HN) 3.71 1.91 1.79
assign (resid 13 and name HA) (resid 16 and name HB#) 3.7 1.9 1.8
assign (resid 11 and name HA) (resid 12 and name HN) 3.69 1.89 1.81
assign (resid 15 and name HG1#) (resid 15 and name HD1#) 3.65 1.85 1.85
assign (resid 15 and name HB) (resid 15 and name HD1#) 3.62 1.82 1.88
assign (resid 16 and name HA) (resid 17 and name HN) 3.57 1.77 1.93
assign (resid 10 and name HG#) (resid 10 and name HA) 3.56 1.76 1.94
assign (resid 17 and name HG1) (resid 17 and name HN) 3.55 1.75 1.95
assign (resid 10 and name HG#) (resid 10 and name HN) 3.51 1.71 1.99
assign (resid 16 and name HA) (resid 16 and name HN) 3.44 1.64 2.06
assign (resid 17 and name HA) (resid 17 and name HB#) 3.42 1.62 2.08
assign (resid 17 and name HA) (resid 17 and name HN) 3.42 1.62 2.08
assign (resid 17 and name HB#) (resid 17 and name HA) 3.4 1.6 0
assign (resid 15 and name HA) (resid 15 and name HN) 3.34 1.54 0.06
assign (resid 17 and name HG1) (resid 17 and name HE21) 3.33 1.53 0.07
assign (resid 17 and name HB#) (resid 17 and name HG1) 3.33 1.53 0.07
assign (resid 15 and name HG2#) (resid 15 and name HN) 3.32 1.52 0.08
assign (resid 17 and name HA) (resid 18 and name HN) 3.32 1.52 0.08
assign (resid 17 and name HG1) (resid 17 and name HB#) 3.27 1.47 0.13
assign (resid 15 and name HG1#) (resid 12 and name HA) 3.26 1.46 0.14
assign (resid 14 and name HA) (resid 14 and name HB#) 3.21 1.41 0.19
assign (resid 11 and name HA) (resid 11 and name HN) 3.21 1.41 0.19
assign (resid 12 and name HB2) (resid 15 and name HG1#) 3.20 1.40 2.30
assign (resid 94 and name HA) (resid 94 and name HN) 3.20 1.40 0.20
assign (resid 16 and name HB#) (resid 16 and name HN) 3.17 1.37 0.23
assign (resid 12 and name HB2) (resid 9 and name HA) 3.14 1.34 0.26
assign (resid 16 and name HA) (resid 16 and name HB#) 3.11 1.31 0.29
assign (resid 12 and name HA) (resid 12 and name HN) 3.06 1.26 0.34
assign (resid 15 and name HG1#) (resid 15 and name HN) 3.03 1.23 0.37
assign (resid 13 and name HA) (resid 13 and name HN) 2.99 1.19 0.41
assign (resid 11 and name HB#) (resid 11 and name HN) 2.99 1.19 0.41
assign (resid 11 and name HA) (resid 11 and name HB#) 2.99 1.19 0.41
assign (resid 13 and name HB#) (resid 13 and name HA) 2.94 1.14 0.46
assign (resid 12 and name HA) (resid 15 and name HG1#) 2.92 1.12 0.48
assign (resid 15 and name HB) (resid 15 and name HG1#) 2.87 1.07 0.53
assign (resid 16 and name HB#) (resid 16 and name HA) 2.79 0.99 0.01
assign (resid 15 and name HG1#) (resid 15 and name HB) 2.76 0.96 0.04
assign (resid 13 and name HB#) (resid 13 and name HN) 2.74 0.94 0.06
assign (resid 17 and name HA) (resid 17 and name HG2) 2.71 0.91 0.09
assign (resid 15 and name HA) (resid 15 and name HB) 2.58 0.78 0.82
assign (resid 10 and name HA) (resid 10 and name HB#) 2.54 0.74 0.26
assign (resid 14 and name HB#) (resid 14 and name HA) 3.03 1.23 0.37
assign (resid 13 and name HA) (resid 13 and name HB#) 2.50 0.70 0.30
assign (resid 11 and name HB#) (resid 11 and name HA) 2.44 0.64 0.36
assign (resid 41 and name HN) (resid 40 and name HG2#) 4.77 2.97 0.73
assign (resid 46 and name HN) (resid 43 and name HN) 4.61 2.81 0.89
assign (resid 45 and name HN) (resid 43 and name HN) 4.35 2.55 1.15
assign (resid 46 and name HN) (resid 48 and name HD2) 4.27 2.47 1.23
assign (resid 41 and name HN) (resid 43 and name HN) 4.24 2.44 1.26
assign (resid 36 and name HN) (resid 38 and name HD2) 4.19 2.39 1.31
assign (resid 36 and name HN) (resid 35 and name HG1) 4.13 2.33 1.37
assign (resid 44 and name HN) (resid 42 and name HA) 4.09 2.29 1.41
assign (resid 43 and name HN) (resid 42 and name HG#) 4.08 2.28 1.42
assign (resid 37 and name HN) (resid 36 and name HG2#) 4.06 2.26 1.44
assign (resid 47 and name HN) (resid 48 and name HD2) 4.00 2.20 1.5
assign (resid 47 and name HN) (resid 43 and name HA) 4.00 2.20 1.5
assign (resid 42 and name HN) (resid 38 and name HA) 3.97 2.17 1.53
assign (resid 35 and name HN) (resid 35 and name HG1) 3.91 2.11 1.59
assign (resid 44 and name HN) (resid 41 and name HA) 3.88 2.08 1.62
assign (resid 36 and name HN) (resid 36 and name HG2#) 3.85 2.05 1.65
assign (resid 45 and name HN) (resid 44 and name HA) 3.73 1.93 1.77
assign (resid 46 and name HN) (resid 44 and name HA) 3.73 1.93 1.77
assign (resid 37 and name HN) (resid 40 and name HN) 3.72 1.92 1.78
assign (resid 39 and name HN) (resid 36 and name HG1#) 3.70 1.90 1.8
assign (resid 41 and name HN) (resid 37 and name HA) 3.70 1.90 1.8
assign (resid 42 and name HN) (resid 41 and name HA) 3.67 1.87 1.83
assign (resid 43 and name HN) (resid 42 and name HA) 3.63 1.83 1.87
assign (resid 47 and name HN) (resid 45 and name HN) 3.61 1.81 1.89
assign (resid 36 and name HN) (resid 33 and name HA) 3.60 1.80 1.9
assign (resid 46 and name HN) (resid 44 and name HN) 3.59 1.79 1.91
assign (resid 39 and name HN) (resid 36 and name HA) 3.58 1.78 1.92
assign (resid 47 and name HN) (resid 46 and name HA) 3.55 1.75 1.95
assign (resid 41 and name HN) (resid 38 and name HA) 3.55 1.75 1.95
assign (resid 43 and name HN) (resid 40 and name HA) 3.53 1.73 1.97
assign (resid 37 and name HN) (resid 36 and name HA) 3.52 1.72 1.98
assign (resid 44 and name HN) (resid 42 and name HN) 3.52 1.72 1.98
assign (resid 47 and name HN) (resid 44 and name HN) 3.49 1.69 2.01
assign (resid 39 and name HN) (resid 41 and name HN) 3.48 1.68 2.02
assign (resid 46 and name HN) (resid 47 and name HD2) 3.48 1.68 2.02
assign (resid 47 and name HN) (resid 47 and name HA) 3.47 1.67 2.03
assign (resid 42 and name HN) (resid 44 and name HN) 3.45 1.65 2.05
assign (resid 46 and name HN) (resid 43 and name HA) 3.39 1.59 0.01
assign (resid 44 and name HN) (resid 45 and name HN) 3.38 1.58 0.02
assign (resid 45 and name HN) (resid 44 and name HN) 3.35 1.55 0.05
assign (resid 44 and name HN) (resid 43 and name HN) 3.32 1.52 0.08
assign (resid 43 and name HN) (resid 43 and name HD1) 3.31 1.51 2.19
assign (resid 43 and name HN) (resid 44 and name HN) 3.31 1.51 0.09
assign (resid 37 and name HN) (resid 36 and name HB) 3.31 1.51 2.19
assign (resid 35 and name HN) (resid 35 and name HA) 3.29 1.49 0.11
assign (resid 36 and name HN) (resid 36 and name HA) 3.28 1.48 0.12
assign (resid 43 and name HN) (resid 43 and name HA) 3.27 1.47 0.13
assign (resid 44 and name HN) (resid 44 and name HB1) 3.25 1.45 0.15
assign (resid 44 and name HN) (resid 43 and name HA) 3.25 1.45 0.15
assign (resid 39 and name HN) (resid 39 and name HA) 3.25 1.45 0.15
assign (resid 36 and name HN) (resid 35 and name HB#) 3.23 1.43 0.17
assign (resid 39 and name HN) (resid 38 and name HD2) 3.23 1.43 0.17
assign (resid 42 and name HN) (resid 43 and name HN) 3.22 1.42 0.18
assign (resid 47 and name HN) (resid 47 and name HD2) 3.21 1.41 0.19
assign (resid 47 and name HN) (resid 46 and name HB#) 3.19 1.39 0.21
assign (resid 41 and name HN) (resid 41 and name HA) 3.16 1.36 0.24
assign (resid 46 and name HN) (resid 46 and name HG#) 3.16 1.36 0.24
assign (resid 42 and name HN) (resid 42 and name HG1) 3.15 1.35 0.25
assign (resid 37 and name HN) (resid 37 and name HB#) 3.15 1.35 0.25
assign (resid 46 and name HN) (resid 46 and name HA) 3.10 1.30 0.3
assign (resid 43 and name HN) (resid 42 and name HN) 3.10 1.30 0.3
assign (resid 44 and name HN) (resid 44 and name HA) 3.08 1.28 0.32
assign (resid 36 and name HN) (resid 36 and name HB) 3.08 1.28 0.32
assign (resid 36 and name HN) (resid 36 and name HG11) 3.06 1.26 2.44
assign (resid 39 and name HN) (resid 39 and name HB2) 3.04 1.24 0.36
assign (resid 39 and name HN) (resid 39 and name HB1) 2.93 1.13 0.47
assign (resid 41 and name HN) (resid 40 and name HN) 3.04 1.24 0.36
assign (resid 43 and name HN) (resid 43 and name HB2) 3.03 1.23 0.37
assign (resid 47 and name HN) (resid 47 and name HB2) 3.02 1.22 0.38
assign (resid 45 and name HN) (resid 45 and name HA) 3.01 1.21 0.39
assign (resid 43 and name HN) (resid 42 and name HB2) 3.00 1.20 0.4
assign (resid 46 and name HN) (resid 45 and name HN) 2.98 1.18 0.42
assign (resid 39 and name HN) (resid 40 and name HN) 2.94 1.14 0.46
assign (resid 40 and name HN) (resid 39 and name HN) 2.92 1.12 0.48
assign (resid 35 and name HN) (resid 35 and name HB#) 2.91 1.11 0.49
assign (resid 37 and name HN) (resid 38 and name HD2) 2.89 1.09 0.51
assign (resid 37 and name HN) (resid 37 and name HA) 2.89 1.09 0.51
assign (resid 42 and name HN) (resid 42 and name HA) 2.85 1.05 0.55
assign (resid 40 and name HN) (resid 40 and name HB) 2.82 1.02 0.58
assign (resid 45 and name HN) (resid 46 and name HN) 2.75 0.95 0.05
assign (resid 41 and name HN) (resid 41 and name HB#) 2.71 0.91 0.09
assign (resid 40 and name HN) (resid 40 and name HG1#) 2.68 0.88 0.12
assign (resid 46 and name HN) (resid 46 and name HB#) 2.66 0.86 0.14
assign (resid 42 and name HN) (resid 42 and name HB2) 2.59 0.79 0.21
assign (resid 45 and name HN) (resid 45 and name HB#) 2.57 0.77 0.23
assign (resid 40 and name HD1#) (resid 41 and name HN) 4.52 2.72 0.98
assign (resid 44 and name HA) (resid 45 and name HN) 4.03 2.23 1.47
assign (resid 37 and name HA) (resid 40 and name HD1#) 4.03 2.23 1.47
assign (resid 43 and name HA) (resid 43 and name HN) 3.97 2.17 1.53
assign (resid 48 and name HB2) (resid 48 and name HD2) 3.89 2.09 1.61
assign (resid 42 and name HB2) (resid 43 and name HN) 3.89 2.09 1.61
assign (resid 45 and name HA) (resid 45 and name HN) 3.82 2.02 1.68
assign (resid 40 and name HB) (resid 40 and name HN) 3.82 2.02 1.68
assign (resid 48 and name HD1) (resid 47 and name HN) 3.79 1.99 1.71
assign (resid 44 and name HB1) (resid 48 and name HA) 3.62 1.82 1.88
assign (resid 35 and name HA) (resid 35 and name HG1) 3.72 1.92 1.78
assign (resid 76 and name HG) (resid 74 and name HB) 3.72 1.92 1.78
assign (resid 40 and name HA) (resid 40 and name HN) 3.71 1.91 1.79
assign (resid 76 and name HG) (resid 25 and name HD1) 3.67 1.87 1.83
assign (resid 36 and name HA) (resid 39 and name HB1) 3.66 1.86 1.84
assign (resid 38 and name HA) (resid 41 and name HN) 3.65 1.85 1.85
assign (resid 47 and name HB1) (resid 47 and name HN) 3.64 1.84 1.86
assign (resid 40 and name HG2#) (resid 2 and name HB) 3.64 1.84 1.86
assign (resid 46 and name HG#) (resid 48 and name HD2) 3.63 1.83 1.87
assign (resid 44 and name HB2) (resid 44 and name HN) 3.62 1.82 1.88
assign (resid 40 and name HG2#) (resid 41 and name HN) 3.60 1.8 1.9
assign (resid 47 and name HB1) (resid 49 and name HG#) 3.59 1.79 1.91
assign (resid 36 and name HG2#) (resid 36 and name HN) 3.59 1.79 1.91
assign (resid 38 and name HD2) (resid 37 and name HB#) 3.57 1.77 1.93
assign (resid 47 and name HA) (resid 47 and name HD1) 3.56 1.76 1.94
assign (resid 47 and name HA) (resid 47 and name HN) 3.56 1.76 1.94
assign (resid 47 and name HB1) (resid 100 and name HA) 3.55 1.75 1.95
assign (resid 36 and name HG2#) (resid 33 and name HA) 3.54 1.74 1.96
assign (resid 36 and name HG2#) (resid 36 and name HA) 3.53 1.73 1.97
assign (resid 41 and name HG#) (resid 41 and name HN) 3.52 1.72 1.98
assign (resid 44 and name HA) (resid 44 and name HN) 3.51 1.71 1.99
assign (resid 36 and name HA) (resid 36 and name HD1#) 3.50 1.7 2
assign (resid 38 and name HD1) (resid 37 and name HN) 3.50 1.7 2
assign (resid 36 and name HA) (resid 36 and name HN) 3.47 1.67 2.03
assign (resid 43 and name HA) (resid 46 and name HB#) 3.47 1.67 2.03
assign (resid 35 and name HA) (resid 35 and name HN) 3.46 1.66 2.04
assign (resid 36 and name HA) (resid 36 and name HG11) 3.45 1.65 2.05
assign (resid 43 and name HB1) (resid 43 and name HD2) 3.43 1.63 2.07
assign (resid 37 and name HA) (resid 37 and name HN) 3.43 1.63 2.07
assign (resid 35 and name HG2) (resid 35 and name HA) 3.41 1.61 2.09
assign (resid 36 and name HG12) (resid 36 and name HA) 3.41 1.61 2.09
assign (resid 40 and name HA) (resid 40 and name HB) 3.41 1.61 2.09
assign (resid 40 and name HB) (resid 40 and name HG2#) 3.36 1.56 0.04
assign (resid 37 and name HB#) (resid 37 and name HN) 3.34 1.54 0.06
assign (resid 36 and name HD1#) (resid 36 and name HB) 3.33 1.53 0.07
assign (resid 40 and name HA) (resid 40 and name HG1#) 3.33 1.53 0.07
assign (resid 36 and name HG12) (resid 36 and name HD1#) 3.25 1.45 0.15
assign (resid 42 and name HB2) (resid 39 and name HA) 3.28 1.48 0.12
assign (resid 46 and name HB#) (resid 43 and name HA) 3.27 1.47 0.13
assign (resid 43 and name HA) (resid 43 and name HB1) 3.26 1.46 0.14
assign (resid 39 and name HB1) (resid 39 and name HN) 3.26 1.46 0.14
assign (resid 39 and name HA) (resid 39 and name HN) 3.26 1.46 0.14
assign (resid 44 and name HA) (resid 47 and name HN) 3.26 1.46 0.14
assign (resid 41 and name HA) (resid 41 and name HN) 3.25 1.45 0.15
assign (resid 40 and name HG1#) (resid 40 and name HD1#) 3.25 1.45 0.15
assign (resid 40 and name HG2#) (resid 40 and name HG1#) 3.24 1.44 0.16
assign (resid 46 and name HA) (resid 46 and name HN) 3.24 1.44 0.16
assign (resid 40 and name HG1#) (resid 40 and name HN) 3.23 1.43 0.17
assign (resid 40 and name HG2#) (resid 40 and name HB) 3.23 1.43 0.17
assign (resid 42 and name HA) (resid 42 and name HN) 3.22 1.42 0.18
assign (resid 42 and name HB2) (resid 42 and name HN) 3.22 1.42 0.18
assign (resid 40 and name HA) (resid 43 and name HD1) 3.22 1.42 0.18
assign (resid 42 and name HA) (resid 42 and name HG2) 3.21 1.41 0.19
assign (resid 36 and name HD1#) (resid 36 and name HG11) 3.20 1.4 0.2
assign (resid 36 and name HB) (resid 36 and name HN) 3.19 1.39 0.21
assign (resid 40 and name HB) (resid 40 and name HA) 3.16 1.36 0.24
assign (resid 40 and name HA) (resid 43 and name HB2) 3.15 1.35 0.25
assign (resid 41 and name HG#) (resid 41 and name HA) 3.15 1.35 0.25
assign (resid 40 and name HB) (resid 37 and name HA) 3.15 1.35 0.25
assign (resid 38 and name HD2) (resid 37 and name HA) 3.14 1.34 2.36
assign (resid 48 and name HB1) (resid 48 and name HA) 3.14 1.34 0.26
assign (resid 37 and name HA) (resid 37 and name HB#) 3.13 1.33 0.27
assign (resid 47 and name HA) (resid 47 and name HB1) 3.09 1.29 0.31
assign (resid 43 and name HA) (resid 43 and name HD1) 3.07 1.27 0.33
assign (resid 42 and name HB#) (resid 42 and name HE#) 3.07 1.27 0.33
assign (resid 36 and name HB) (resid 36 and name HA) 3.07 1.27 0.33
assign (resid 39 and name HB1) (resid 39 and name HA) 3.05 1.25 0.35
assign (resid 35 and name HB#) (resid 35 and name HN) 3.02 1.22 0.38
assign (resid 37 and name HB#) (resid 38 and name HD1) 3.02 1.22 0.38
assign (resid 36 and name HG2#) (resid 36 and name HB) 3.01 1.21 0.39
assign (resid 48 and name HD1) (resid 48 and name HG#) 2.99 1.19 0.41
assign (resid 36 and name HA) (resid 36 and name HB) 2.99 1.19 0.41
assign (resid 39 and name HA) (resid 42 and name HG1) 2.97 1.17 0.43
assign (resid 37 and name HB#) (resid 37 and name HA) 2.95 1.15 0.45
assign (resid 46 and name HB#) (resid 46 and name HN) 2.93 1.13 0.47
assign (resid 41 and name HB#) (resid 38 and name HA) 2.93 1.13 0.47
assign (resid 38 and name HD1) (resid 35 and name HA) 2.91 1.11 0.49
assign (resid 47 and name HA) (resid 48 and name HD2) 2.91 1.11 0.49
assign (resid 41 and name HB#) (resid 41 and name HA) 2.88 1.08 0.52
assign (resid 46 and name HG#) (resid 46 and name HA) 2.87 1.07 0.53
assign (resid 48 and name HD2) (resid 47 and name HA) 2.85 1.05 0.55
assign (resid 41 and name HB#) (resid 41 and name HN) 2.84 1.04 0.56
assign (resid 36 and name HG2#) (resid 36 and name HG12) 2.83 1.03 0.57
assign (resid 36 and name HB) (resid 36 and name HG11) 2.83 1.03 0.57
assign (resid 35 and name HA) (resid 35 and name HB#) 2.82 1.02 0.58
assign (resid 41 and name HA) (resid 41 and name HB#) 2.77 0.97 0.03
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assign (resid 77 and name HD2#) (resid 102 and name HB2) 3.6 1.8 1.9
assign (resid 102 and name HB2) (resid 102 and name HD2#) 4.16 2.36 1.34 
assign (resid 102 and name HB2) (resid 102 and name HN) 3.34 1.54 0.06
assign (resid 102 and name HB1) (resid 102 and name HA) 2.97 1.17 0.43
assign (resid 102 and name HB2) (resid 102 and name HB1) 2.93 1.13 0.47
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assign (resid 102 and name HN) (resid 102 and name HB1) 3.36 1.56 0.04
assign (resid 102 and name HN) (resid 102 and name HB2) 2.96 1.16 0.44
assign (resid 3 and name HA) (resid 53 and name HA) 4.18 2.38 5.44
assign (resid 3 and name HG2#) (resid 3 and name HB) 2.74 0.94 0.06
assign (resid 5 and name HD1) (resid 4 and name HB2) 4.38 2.58 1.12
assign (resid 5 and name HD1) (resid 10 and name HA) 3.90 2.10 1.60
assign (resid 5 and name HD2) (resid 55 and name HG) 3.85 2.05 1.65
assign (resid 5 and name HE2) (resid 11 and name HB#) 3.77 1.97 1.73
assign (resid 5 and name HD2) (resid 55 and name HD2#) 3.64 1.84 1.86
assign (resid 5 and name HE2) (resid 11 and name HE2) 3.27 1.47 0.13
assign (resid 5 and name HD2) (resid 55 and name HB2) 2.98 1.18 0.42
assign (resid 5 and name HZ) (resid 11 and name HB#) 4.53 2.73 0.97
assign (resid 5 and name HZ) (resid 11 and name HE2) 4.11 2.31 1.39
assign (resid 5 and name HE2) (resid 55 and name HD2#) 4.58 2.78 0.92
assign (resid 5 and name HE1) (resid 10 and name HA) 4.43 2.63 1.07
assign (resid 5 and name HE#) (resid 53 and name HA) 4.38 2.58 1.12
assign (resid 5 and name HD2) (resid 55 and name HA) 3.57 1.77 1.93
assign (resid 5 and name HD1) (resid 5 and name HA) 3.04 1.24 0.36
assign (resid 6 and name HD#) (resid 60 and name HD##) 4.14 2.34 1.36
assign (resid 6 and name HB2) (resid 6 and name HN) 3.93 2.13 1.57
assign (resid 6 and name HB1) (resid 6 and name HN) 3.85 2.05 1.65
assign (resid 6 and name HD#) (resid 59 and name HA) 3.80 2.00 1.70
assign (resid 6 and name HG1) (resid 6 and name HA) 3.51 1.71 1.99
assign (resid 6 and name HG2) (resid 6 and name HA) 3.40 1.60 0.00
assign (resid 6 and name HB2) (resid 6 and name HA) 3.01 1.21 0.39
assign (resid 6 and name HB1) (resid 6 and name HA) 2.83 1.03 0.57
assign (resid 9 and name HB#) (resid 10 and name HG#) 3.83 2.03 1.67
assign (resid 9 and name HB#) (resid 8 and name HA) 3.4 1.6 2.1
assign (resid 9 and name HN) (resid 8 and name HA) 2.58 0.78 2.92
assign (resid 10 and name HN) (resid 9 and name HN) 4.09 2.29 1.41
assign (resid 11 and name HD1) (resid 63 and name HB) 4.75 2.95 0.75
assign (resid 11 and name HE2) (resid 78 and name HB2) 4.03 2.23 1.47
assign (resid 11 and name HD2) (resid 14 and name HB#) 3.89 2.09 1.61
assign (resid 11 and name HE2) (resid 14 and name HB#) 3.57 1.77 1.93
assign (resid 11 and name HE1) (resid 23 and name HB) 2.98 1.18 0.42
assign (resid 11 and name HE#) (resid 11 and name HD#) 2.41 0.61 0.39
assign (resid 12 and name HB1) (resid 9 and name HA) 3.66 1.86 1.84
assign (resid 12 and name HA) (resid 11 and name HA) 3.15 1.35 2.35
assign (resid 12 and name HB2) (resid 12 and name HA) 2.86 1.06 0.54
assign (resid 12 and name HA) (resid 12 and name HB2) 2.63 0.83 0.17
assign (resid 13 and name HA) (resid 16 and name HN) 3.92 2.12 1.58
assign (resid 14 and name HB#) (resid 15 and name HD1#) 4.04 2.24 1.46
assign (resid 14 and name HA) (resid 18 and name HB1) 3.84 2.04 1.66
assign (resid 14 and name HA) (resid 14 and name HN) 2.81 1.01 0.59
assign (resid 15 and name HA) (resid 15 and name HD1#) 4.68 2.88 0.82
assign (resid 15 and name HB) (resid 81 and name HA2) 4.03 2.23 1.47
assign (resid 17 and name HE22) (resid 17 and name HG2) 3.52 1.72 1.98
assign (resid 17 and name HE22) (resid 17 and name HG1) 3.52 1.72 1.98
assign (resid 17 and name HE21) (resid 17 and name HG2) 3.12 1.32 0.28
assign (resid 17 and name HE21) (resid 17 and name HG1) 3.00 1.20 0.40
assign (resid 17 and name HG2) (resid 17 and name HE21) 3.46 1.66 2.04
assign (resid 17 and name HG1) (resid 17 and name HG2) 2.51 0.71 0.29
assign (resid 18 and name HN) (resid 18 and name HB2) 3.57 1.77 1.93
assign (resid 18 and name HN) (resid 18 and name HB1) 3.44 1.64 2.06
assign (resid 19 and name HG#) (resid 19 and name HB#) 2.47 0.67 0.33
assign (resid 19 and name HG#) (resid 19 and name HD#) 2.45 0.65 0.35
assign (resid 20 and name HD2#) (resid 103 and name HN) 4.72 2.92 0.78
assign (resid 20 and name HD1#) (resid 78 and name HN) 4.31 2.51 1.19
assign (resid 20 and name HD1#) (resid 77 and name HA) 4.17 2.37 1.33
assign (resid 20 and name HD1#) (resid 103 and name HA) 4.14 2.34 1.36
assign (resid 20 and name HD1#) (resid 22 and name HG2#) 4.03 2.23 1.47
assign (resid 20 and name HB2) (resid 20 and name HD1#) 3.94 2.14 1.56
assign (resid 20 and name HD2#) (resid 102 and name HB2) 3.89 2.09 1.61
assign (resid 20 and name HD2#) (resid 102 and name HB1) 3.81 2.01 1.69
assign (resid 20 and name HG) (resid 20 and name HD1#) 3.80 2.00 1.70
assign (resid 20 and name HD2#) (resid 99 and name HA) 3.78 1.98 1.72
assign (resid 20 and name HG) (resid 50 and name HA) 3.65 1.85 1.85
assign (resid 20 and name HD1#) (resid 21 and name HN) 3.62 1.82 1.88
assign (resid 20 and name HD1#) (resid 102 and name HB1) 3.60 1.80 1.90
assign (resid 20 and name HD1#) (resid 102 and name HB2) 3.55 1.75 1.95
assign (resid 20 and name HD2#) (resid 22 and name HG2#) 3.50 1.70 2.00
assign (resid 20 and name HD2#) (resid 103 and name HA) 3.43 1.63 2.07
assign (resid 20 and name HD2#) (resid 20 and name HB2) 3.36 1.56 0.04
assign (resid 20 and name HD2#) (resid 103 and name HB1) 2.69 0.89 0.11
assign (resid 20 and name HD1#) (resid 77 and name HB1) 2.66 0.86 0.14
assign (resid 20 and name HN) (resid 20 and name HD1#) 4.38 2.58 1.12
assign (resid 21 and name HG1#) (resid 23 and name HN) 4.05 2.25 1.45
assign (resid 21 and name HG2#) (resid 80 and name HN) 3.97 2.17 1.53
assign (resid 21 and name HG1#) (resid 14 and name HA) 3.90 2.10 1.60
assign (resid 21 and name HG1#) (resid 11 and name HE2) 3.49 1.69 2.01
assign (resid 21 and name HB) (resid 21 and name HG2#) 3.46 1.66 2.04
assign (resid 21 and name HG1#) (resid 23 and name HG2#) 3.33 1.53 0.07
assign (resid 21 and name HB) (resid 20 and name HA) 3.03 1.23 2.47
assign (resid 53 and name HB2) (resid 23 and name HG1#) 4.58 2.78 0.92
assign (resid 53 and name HB1) (resid 23 and name HG1#) 4.49 2.69 1.01
assign (resid 51 and name HB1) (resid 21 and name HG2#) 4.23 2.43 1.27
assign (resid 51 and name HB1) (resid 21 and name HG1#) 3.93 2.13 1.57
assign (resid 53 and name HB2) (resid 23 and name HG2#) 3.84 2.04 1.66
assign (resid 53 and name HB1) (resid 23 and name HG2#) 3.79 1.99 1.71
assign (resid 22 and name HG2#) (resid 21 and name HA) 4.70 2.90 0.80
assign (resid 22 and name HG1#) (resid 22 and name HN) 4.59 2.79 0.91
assign (resid 22 and name HG2#) (resid 52 and name HE2) 4.41 2.61 1.09
assign (resid 22 and name HG1#) (resid 77 and name HA) 4.33 2.53 1.17
assign (resid 22 and name HG2#) (resid 22 and name HA) 3.88 2.08 1.62
assign (resid 22 and name HB) (resid 22 and name HG2#) 3.70 1.90 1.80
assign (resid 22 and name HG1#) (resid 22 and name HG2#) 3.23 1.43 0.17
assign (resid 22 and name HA) (resid 21 and name HA) 3.10 1.30 2.40
assign (resid 23 and name HG1#) (resid 23 and name HN) 4.80 3.00 0.70
assign (resid 23 and name HG1#) (resid 55 and name HN) 4.74 2.94 0.76
assign (resid 23 and name HG1#) (resid 54 and name HA) 4.37 2.57 1.13
assign (resid 23 and name HG1#) (resid 53 and name HB2) 3.50 1.70 2.00
assign (resid 23 and name HG2#) (resid 5 and name HE2) 3.50 1.70 2.00
assign (resid 23 and name HB) (resid 23 and name HG1#) 3.40 1.60 0.00
assign (resid 23 and name HG1#) (resid 23 and name HB) 3.13 1.33 0.27
assign (resid 23 and name HG1#) (resid 55 and name HB2) 2.90 1.10 0.50
assign (resid 24 and name HN) (resid 23 and name HG1#) 4.01 2.21 1.49
assign (resid 24 and name HN) (resid 23 and name HG2#) 4.52 2.72 0.98
assign (resid 24 and name HA) (resid 25 and name HD1) 3.74 1.94 1.76
assign (resid 24 and name HB2) (resid 40 and name HG1#) 3.69 1.89 1.81
assign (resid 24 and name HN) (resid 54 and name HB1) 4.48 2.68 1.02
assign (resid 24 and name HN) (resid 54 and name HB2) 4.31 2.51 1.19
assign (resid 24 and name HN) (resid 26 and name HD2) 4.38 2.58 1.12
assign (resid 25 and name HA) (resid 25 and name HN) 3.83 2.03 1.67
assign (resid 25 and name HD1) (resid 74 and name HB) 4.94 3.14 0.56
assign (resid 25 and name HD2) (resid 55 and name HD2#) 4.88 3.08 0.62
assign (resid 25 and name HD2) (resid 63 and name HG1#) 4.84 3.04 0.66
assign (resid 25 and name HZ) (resid 23 and name HG1#) 4.81 3.01 0.69
assign (resid 25 and name HZ) (resid 69 and name HG2#) 4.75 2.95 0.75
assign (resid 25 and name HZ) (resid 55 and name HD2#) 4.43 2.63 1.07
assign (resid 25 and name HE2) (resid 63 and name HA) 4.40 2.60 1.10
assign (resid 25 and name HD2) (resid 57 and name HA) 4.39 2.59 1.11
assign (resid 25 and name HE2) (resid 69 and name HG2#) 4.20 2.40 1.30
assign (resid 25 and name HZ) (resid 23 and name HB) 4.12 2.32 1.38
assign (resid 25 and name HD2) (resid 69 and name HG2#) 4.10 2.30 1.40
assign (resid 25 and name HZ) (resid 67 and name HB2) 4.07 2.27 1.43
assign (resid 25 and name HZ) (resid 76 and name HD1#) 4.07 2.27 1.43
assign (resid 25 and name HZ) (resid 63 and name HG1#) 3.88 2.08 1.62
assign (resid 25 and name HZ) (resid 64 and name HA) 3.85 2.05 1.65
assign (resid 25 and name HZ) (resid 76 and name HB2) 3.84 2.04 1.66
assign (resid 25 and name HD1) (resid 76 and name HD1#) 3.84 2.04 1.66
assign (resid 25 and name HD1) (resid 75 and name HA) 3.80 2.00 1.70
assign (resid 25 and name HE2) (resid 55 and name HD2#) 3.79 1.99 1.71
assign (resid 25 and name HZ) (resid 55 and name HB1) 3.76 1.96 1.74
assign (resid 25 and name HZ) (resid 76 and name HG) 3.72 1.92 1.78
assign (resid 25 and name HE2) (resid 67 and name HB2) 3.70 1.90 1.80
assign (resid 25 and name HE1) (resid 76 and name HB2) 3.07 1.27 0.33
assign (resid 25 and name HD1) (resid 76 and name HB2) 3.55 1.75 1.95
assign (resid 25 and name HD1) (resid 76 and name HB1) 3.54 1.74 1.96
assign (resid 25 and name HE1) (resid 76 and name HD1#) 3.52 1.72 1.98
assign (resid 25 and name HZ) (resid 11 and name HD1) 3.52 1.72 1.98
assign (resid 25 and name HE2) (resid 63 and name HG1#) 3.52 1.72 1.98
assign (resid 25 and name HE1) (resid 55 and name HB1) 3.48 1.68 2.02
assign (resid 25 and name HD2) (resid 55 and name HD1#) 3.32 1.52 0.08
assign (resid 25 and name HD2) (resid 57 and name HG2#) 3.31 1.51 0.09
assign (resid 25 and name HD2) (resid 64 and name HA) 3.30 1.50 0.10
assign (resid 25 and name HD1) (resid 25 and name HA) 3.30 1.50 0.10
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assign (resid 25 and name HE2) (resid 55 and name HD1#) 3.26 1.46 0.14
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assign (resid 25 and name HE1) (resid 78 and name HZ) 3.03 1.23 0.37
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assign (resid 25 and name HE2) (resid 64 and name HA) 2.94 1.14 0.46
assign (resid 25 and name HE1) (resid 76 and name HG) 2.91 1.11 0.49
assign (resid 25 and name HD#) (resid 25 and name HZ) 2.89 1.09 2.61
assign (resid 25 and name HD2) (resid 69 and name HB) 2.85 1.05 0.55
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assign (resid 25 and name HZ) (resid 25 and name HE#) 2.77 0.97 0.03
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assign (resid 26 and name HE1) (resid 56 and name HB1) 3.58 1.78 1.92
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assign (resid 26 and name HE1) (resid 28 and name HA) 3.43 1.63 2.07
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assign (resid 38 and name HD1) (resid 37 and name HB#) 3.67 1.87 1.83
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assign (resid 99 and name HD1#) (resid 52 and name HE2) 4.49 2.69 1.01
assign (resid 99 and name HA) (resid 99 and name HG2#) 3.26 1.46 0.14
assign (resid 100 and name HA) (resid 47 and name HD1) 4.1 2.3 1.4
assign (resid 100 and name HA) (resid 103 and name HB#) 4.0 2.2 1.5
assign (resid 102 and name HN) (resid 100 and name HA) 4.58 2.78 0.92
assign (resid 102 and name HB2) (resid 20 and name HD2#) 4.31 2.51 1.19
assign (resid 102 and name HB1) (resid 20 and name HD2#) 3.67 1.87 1.83
assign (resid 102 and name HD2#) (resid 77 and name HD2#) 3.94 2.14 1.56
assign (resid 102 and name HD2#) (resid 102 and name HA) 3.86 2.06 1.64
assign (resid 102 and name HD2#) (resid 85 and name HB#) 3.59 1.79 1.91
assign (resid 102 and name HD2#) (resid 102 and name HB1) 3.41 1.61 2.09
assign (resid 102 and name HD2#) (resid 102 and name HB2) 3.00 1.20 0.40
assign (resid 5 and name HE2) (resid 15 and name HG2#) 4.00 2.20 1.50
assign (resid 5 and name HD2) (resid 23 and name HG1#) 3.32 1.52 0.08
assign (resid 73 and name HA) (resid 26 and name HA) 4.13 2.33 1.37

#hbonds
assign (resid 75 and name n) (resid 87 and name o) 2.8 0.4 0.9
assign (resid 75 and name hn) (resid 87 and name o) 1.8 0.4 0.9
assign (resid 87 and name n) (resid 75 and name o) 2.8 0.4 0.9
assign (resid 87 and name hn) (resid 75 and name o) 1.8 0.4 0.9
assign (resid 85 and name n) (resid 77 and name o) 2.8 0.4 0.9
assign (resid 85 and name hn) (resid 77 and name o) 1.8 0.4 0.9
assign (resid 77 and name n) (resid 85 and name o) 2.8 0.4 0.9
assign (resid 77 and name hn) (resid 85 and name o) 1.8 0.4 0.9
assign (resid 79 and name n) (resid 83 and name o) 2.8 0.4 0.9
assign (resid 79 and name hn) (resid 83 and name o) 1.8 0.4 0.9
assign (resid 25 and name n) (resid 74 and name o) 2.8 0.4 0.9
assign (resid 25 and name hn) (resid 74 and name o) 1.8 0.4 0.9
assign (resid 76 and name n) (resid 23 and name o) 2.8 0.4 0.9
assign (resid 76 and name hn) (resid 23 and name o) 1.8 0.4 0.9
assign (resid 23 and name n) (resid 76 and name o) 2.8 0.4 0.9
assign (resid 23 and name hn) (resid 76 and name o) 1.8 0.4 0.9
assign (resid 78 and name n) (resid 21 and name o) 2.8 0.4 0.9
assign (resid 78 and name hn) (resid 21 and name o) 1.8 0.4 0.9
assign (resid 21 and name n) (resid 78 and name o) 2.8 0.4 0.9
assign (resid 21 and name hn) (resid 78 and name o) 1.8 0.4 0.9
assign (resid 55 and name n) (resid 24 and name o) 2.8 0.4 0.9
assign (resid 55 and name hn) (resid 24 and name o) 1.8 0.4 0.9
assign (resid 53 and name n) (resid 22 and name o) 2.8 0.4 0.9
assign (resid 53 and name hn) (resid 22 and name o) 1.8 0.4 0.9
assign (resid 24 and name n) (resid 53 and name o) 2.8 0.4 0.9
assign (resid 24 and name hn) (resid 53 and name o) 1.8 0.4 0.9
assign (resid 51 and name n) (resid 20 and name o) 2.8 0.4 0.9
assign (resid 51 and name hn) (resid 20 and name o) 1.8 0.4 0.9
assign (resid 22 and name n) (resid 51 and name o) 2.8 0.4 0.9
assign (resid 22 and name hn) (resid 51 and name o) 1.8 0.4 0.9
assign (resid 5 and name n) (resid 54 and name o) 2.8 0.4 0.9
assign (resid 5 and name hn) (resid 54 and name o) 1.8 0.4 0.9
assign (resid 54 and name n) (resid 3 and name o) 2.8 0.4 0.9
assign (resid 54 and name hn) (resid 3 and name o) 1.8 0.4 0.9

#dihedral angles
assign (resid  2  and name C ) (resid  3  and name N ) 
       (resid  3  and name CA) (resid  3  and name C )   1.0 -120.0 30.0 2 
assign (resid  3  and name C ) (resid  4  and name N ) 
       (resid  4  and name CA) (resid  4  and name C )   1.0 -120.0 30.0 2  
assign (resid  4  and name C ) (resid  5  and name N )
       (resid  5  and name CA) (resid  5  and name C )   1.0 -120.0 30.0 2 
assign (resid 9  and name C ) (resid  10  and name N )
       (resid 10 and name CA) (resid  10  and name C )   1.0 -60.0 30.0 2
assign (resid 10 and name C ) (resid 11 and name N ) 
       (resid 11 and name CA) (resid 11 and name C )    1.0 -60.0 30.0 2 
assign (resid 11 and name C ) (resid 12 and name N ) 
       (resid 12 and name CA) (resid 12 and name C )    1.0 -60.0 30.0 2 
assign (resid 12 and name C ) (resid 13 and name N ) 
       (resid 13 and name CA) (resid 13 and name C )    1.0 -60.0 30.0 2 
assign (resid 13 and name C ) (resid 14 and name N ) 
       (resid 14 and name CA) (resid 14 and name C )    1.0 -60.0 30.0 2 
assign (resid 14 and name C ) (resid 15 and name N ) 
       (resid 15 and name CA) (resid 15 and name C )    1.0 -60.0 30.0 2 
assign (resid 15 and name C ) (resid 16 and name N ) 
       (resid 16 and name CA) (resid 16 and name C )    1.0 -60.0 30.0 2 
assign (resid 19 and name C ) (resid 20 and name N ) 
       (resid 20 and name CA) (resid 20 and name C )   1.0 -130.0 30.0 2
assign (resid 20 and name C ) (resid 21 and name N ) 
       (resid 21 and name CA) (resid 21 and name C )   1.0 -130.0 30.0 2
assign (resid 21 and name C ) (resid 22 and name N ) 
       (resid 22 and name CA) (resid 22 and name C )   1.0 -130.0 30.0 2   
assign (resid 22 and name C ) (resid 23 and name N )
       (resid 23 and name CA) (resid 23 and name C )   1.0 -130.0 30.0 2
assign (resid 23 and name C ) (resid 24 and name N )
       (resid 24 and name CA) (resid 24 and name C )   1.0 -130.0 30.0 2  
assign (resid 24 and name C ) (resid 25 and name N )
       (resid 25 and name CA) (resid 25 and name C )   1.0 -130.0 30.0 2
assign (resid 36 and name C ) (resid 37 and name N ) 
       (resid 37 and name CA) (resid 37 and name C )   1.0 -60.0 30.0 2
assign (resid 38 and name C ) (resid 39 and name N ) 
       (resid 39 and name CA) (resid 39 and name C )    1.0 -60.0 30.0 2
assign (resid 39 and name C ) (resid 40 and name N ) 
       (resid 40 and name CA) (resid 40 and name C )    1.0 -60.0 30.0 2 
assign (resid 40 and name C ) (resid 41 and name N ) 
       (resid 41 and name CA) (resid 41 and name C )    1.0 -60.0 30.0 2 
assign (resid 41 and name C ) (resid 42 and name N ) 
       (resid 42 and name CA) (resid 42 and name C )    1.0 -60.0 30.0 2 
assign (resid 42 and name C ) (resid 43 and name N ) 
       (resid 43 and name CA) (resid 43 and name C )    1.0 -60.0 30.0 2 
assign (resid 43 and name C ) (resid 44 and name N ) 
       (resid 44 and name CA) (resid 44 and name C )    1.0 -60.0 30.0 2 
assign (resid 44 and name C ) (resid 45 and name N ) 
       (resid 45 and name CA) (resid 45 and name C )    1.0 -60.0 30.0 2 
assign (resid 45 and name C ) (resid 46 and name N ) 
       (resid 46 and name CA) (resid 46 and name C )    1.0 -60.0 30.0 2 
assign (resid 49 and name C ) (resid 50 and name N ) 
       (resid 50 and name CA) (resid 50 and name C )    1.0 -120.0 30.0 2
assign (resid 50 and name C ) (resid 51 and name N ) 
       (resid 51 and name CA) (resid 51 and name C )    1.0 -120.0 30.0 2 
assign (resid 51 and name C ) (resid 52 and name N ) 
       (resid 52 and name CA) (resid 52 and name C )    1.0 -120.0 30.0 2
assign (resid 52 and name C ) (resid 53 and name N ) 
       (resid 53 and name CA) (resid 53 and name C )   1.0 -120.0 30.0 2
assign (resid 53 and name C ) (resid 54 and name N )
       (resid 54 and name CA) (resid 54 and name C )    1.0 -120.0 30.0 2
assign (resid 54 and name C ) (resid 55 and name N )
       (resid 55 and name CA) (resid 55 and name C )    1.0 -120.0 30.0 2
assign (resid 61 and name C ) (resid 62 and name N ) 
       (resid 62 and name CA) (resid 62 and name C )     1.0 -60.0 30.0 2
assign (resid 62 and name C ) (resid 63 and name N ) 
       (resid 63 and name CA) (resid 63 and name C )     1.0 -60.0 30.0 2 
assign (resid 63 and name C ) (resid 64 and name N ) 
       (resid 64 and name CA) (resid 64 and name C )    1.0 -60.0 30.0 2
assign (resid 64 and name C ) (resid 65 and name N ) 
       (resid 65 and name CA) (resid 65 and name C )    1.0 -60.0 30.0 2
assign (resid 65 and name C ) (resid 66 and name N ) 
       (resid 66 and name CA) (resid 66 and name C )    1.0 -60.0 30.0 2
assign (resid 73 and name C ) (resid 74 and name N )
       (resid 74 and name CA) (resid 74 and name C )     1.0 -140.0 30.0 2
assign (resid 74 and name C ) (resid 75 and name N )
       (resid 75 and name CA) (resid 75 and name C )     1.0 -140.0 30.0 2
assign (resid 75 and name C ) (resid 76 and name N )
       (resid 76 and name CA) (resid 76 and name C )     1.0 -140.0 30.0 2
assign (resid 76 and name C ) (resid 77 and name N )
       (resid 77 and name CA) (resid 77 and name C )     1.0 -140.0 30.0 2
assign (resid 77 and name C ) (resid 78 and name N )
       (resid 78 and name CA) (resid 78 and name C )     1.0 -140.0 30.0 2
assign (resid 78 and name C ) (resid 79 and name N ) 
       (resid 79 and name CA) (resid 79 and name C )     1.0 -140.0 30.0 2
assign (resid 82 and name C ) (resid 83 and name N ) 
       (resid 83 and name CA) (resid 83 and name C )     1.0 -140.0 30.0 2
assign (resid 83 and name C ) (resid 84 and name N ) 
       (resid 84 and name CA) (resid 84 and name C )     1.0 -140.0 30.0 2
assign (resid 84 and name C ) (resid 85 and name N ) 
       (resid 85 and name CA) (resid 85 and name C )     1.0 -140.0 30.0 2
assign (resid 85 and name C ) (resid 86 and name N ) 
       (resid 86 and name CA) (resid 86 and name C )     1.0 -140.0 30.0 2 
assign (resid 86 and name C ) (resid 87 and name N ) 
       (resid 87 and name CA) (resid 87 and name C )     1.0 -140.0 30.0 2
assign (resid 94 and name C ) (resid 95 and name N ) 
       (resid 95 and name CA) (resid 95 and name C )    1.0 -60.0 30.0 2
assign (resid 95 and name C ) (resid 96 and name N ) 
       (resid 96 and name CA) (resid 96 and name C )     1.0 -60.0 30.0 2
assign (resid 96 and name C ) (resid 97 and name N ) 
       (resid 97 and name CA) (resid 97 and name C )     1.0 -60.0 30.0 2
assign (resid 97 and name C ) (resid 98 and name N ) 
       (resid 98 and name CA) (resid 98 and name C )     1.0 -60.0 30.0 2
assign (resid 98 and name C ) (resid 99 and name N ) 
       (resid 99 and name CA) (resid 99 and name C )     1.0 -60.0 30.0 2
assign (resid 99 and name C ) (resid 100 and name N ) 
       (resid 100 and name CA) (resid 100 and name C )    1.0 -60.0 30.0 2
assign (resid 100 and name C ) (resid 101 and name N )
       (resid 101 and name CA) (resid 101 and name C )    1.0 -60.0 30.0 2
assign (resid 101 and name C ) (resid 102 and name N )
       (resid 102 and name CA) (resid 102 and name C )    1.0 -60.0 30.0 2
assign (resid 102 and name C ) (resid 103 and name N ) 
       (resid 103 and name CA) (resid 103 and name C )   1.0 -60.0 30.0 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   0.418  12.174   4.799
    2   2H    MET   1          2H        MET   1   0.111  13.534   3.799
    3   3H    MET   1          3H        MET   1   0.527  12.026   3.095
    4    HA   MET   1           HA       MET   1  -1.869  12.455   4.737
    5   1HB   MET   1          1HB       MET   1  -3.078  12.592   2.589
    6   2HB   MET   1          2HB       MET   1  -1.949  13.923   2.795
    7   1HG   MET   1          1HG       MET   1  -0.346  12.788   1.342
    8   2HG   MET   1          2HG       MET   1  -1.486  11.460   1.130
    9   1HE   MET   1          1HE       MET   1  -0.143  12.697  -1.136
   10   2HE   MET   1          2HE       MET   1  -1.234  13.499  -2.268
   11   3HE   MET   1          3HE       MET   1  -1.548  11.839  -1.766
   12    H    VAL   2           H        VAL   2  -3.554  10.843   3.525
   13    HA   VAL   2           HA       VAL   2  -2.465   8.368   2.636
   14    HB   VAL   2           HB       VAL   2  -1.897   8.269   5.063
   15   1HG1  VAL   2          1HG1      VAL   2  -4.890   8.366   5.383
   16   2HG1  VAL   2          2HG1      VAL   2  -3.696   9.478   6.051
   17   3HG1  VAL   2          3HG1      VAL   2  -3.784   7.818   6.641
   18   1HG2  VAL   2          1HG2      VAL   2  -3.962   6.175   4.588
   19   2HG2  VAL   2          2HG2      VAL   2  -2.325   6.025   5.226
   20   3HG2  VAL   2          3HG2      VAL   2  -2.578   6.285   3.500
   21    H    THR   3           H        THR   3  -4.012   7.195   1.597
   22    HA   THR   3           HA       THR   3  -6.816   7.568   2.265
   23    HB   THR   3           HB       THR   3  -5.728   8.239  -0.476
   24    HG1  THR   3           HG1      THR   3  -6.515  10.311   0.021
   25   1HG2  THR   3          1HG2      THR   3  -8.559   8.167   0.530
   26   2HG2  THR   3          2HG2      THR   3  -7.861   7.218  -0.780
   27   3HG2  THR   3          3HG2      THR   3  -8.051   8.963  -0.958
   28    H    GLN   4           H        GLN   4  -8.235   6.094   1.057
   29    HA   GLN   4           HA       GLN   4  -6.848   3.564   0.478
   30   1HB   GLN   4          1HB       GLN   4  -9.791   3.997   1.003
   31   2HB   GLN   4          2HB       GLN   4  -8.929   2.465   0.981
   32   1HG   GLN   4          1HG       GLN   4  -7.677   3.141   2.966
   33   2HG   GLN   4          2HG       GLN   4  -8.543   4.672   2.991
   34   1HE2  GLN   4          1HE2      GLN   4 -10.726   2.431   1.956
   35   2HE2  GLN   4          2HE2      GLN   4 -11.435   2.006   3.470
   36    H    PHE   5           H        PHE   5  -8.631   2.204  -1.006
   37    HA   PHE   5           HA       PHE   5  -9.322   3.896  -3.291
   38   1HB   PHE   5          1HB       PHE   5  -7.631   1.399  -3.434
   39   2HB   PHE   5          2HB       PHE   5  -8.416   2.130  -4.840
   40    HD1  PHE   5           HD1      PHE   5  -7.992   5.017  -4.130
   41    HD2  PHE   5           HD2      PHE   5  -5.375   1.658  -3.995
   42    HE1  PHE   5           HE1      PHE   5  -6.065   6.512  -4.475
   43    HE2  PHE   5           HE2      PHE   5  -3.448   3.152  -4.338
   44    HZ   PHE   5           HZ       PHE   5  -3.792   5.575  -4.581
   45    H    LYS   6           H        LYS   6 -11.243   3.482  -4.113
   46    HA   LYS   6           HA       LYS   6 -12.573   0.966  -3.352
   47   1HB   LYS   6          1HB       LYS   6 -13.792   3.666  -3.965
   48   2HB   LYS   6          2HB       LYS   6 -14.704   2.205  -3.609
   49   1HG   LYS   6          1HG       LYS   6 -12.795   3.589  -1.735
   50   2HG   LYS   6          2HG       LYS   6 -14.557   3.664  -1.666
   51   1HD   LYS   6          1HD       LYS   6 -14.639   1.242  -1.299
   52   2HD   LYS   6          2HD       LYS   6 -12.877   1.176  -1.358
   53   1HE   LYS   6          1HE       LYS   6 -12.759   2.648   0.592
   54   2HE   LYS   6          2HE       LYS   6 -14.520   2.714   0.651
   55   1HZ   LYS   6          1HZ       LYS   6 -14.530   0.303   1.007
   56   2HZ   LYS   6          2HZ       LYS   6 -13.700   1.119   2.233
   57   3HZ   LYS   6          3HZ       LYS   6 -12.838   0.296   1.032
   58    H    THR   7           H        THR   7 -11.719   3.115  -5.953
   59    HA   THR   7           HA       THR   7 -12.796   1.156  -7.864
   60    HB   THR   7           HB       THR   7 -13.281   3.022  -9.417
   61    HG1  THR   7           HG1      THR   7 -12.714   4.982  -8.952
   62   1HG2  THR   7          1HG2      THR   7 -14.653   3.447  -6.775
   63   2HG2  THR   7          2HG2      THR   7 -15.078   2.195  -7.941
   64   3HG2  THR   7          3HG2      THR   7 -15.250   3.896  -8.371
   65    H    ALA   8           H        ALA   8 -11.388   0.461  -9.369
   66    HA   ALA   8           HA       ALA   8  -8.658   0.921  -9.129
   67   1HB   ALA   8          1HB       ALA   8  -8.678  -0.030 -11.583
   68   2HB   ALA   8          2HB       ALA   8 -10.371  -0.345 -11.208
   69   3HB   ALA   8          3HB       ALA   8  -9.101  -1.050 -10.209
   70    H    SER   9           H        SER   9 -11.054   2.721 -10.857
   71    HA   SER   9           HA       SER   9  -9.434   4.007 -12.745
   72   1HB   SER   9          1HB       SER   9 -11.882   4.144 -12.805
   73   2HB   SER   9          2HB       SER   9 -11.878   5.068 -11.303
   74    HG   SER   9           HG       SER   9 -10.564   5.899 -13.674
   75    H    GLU  10           H        GLU  10  -9.526   4.273  -9.335
   76    HA   GLU  10           HA       GLU  10  -8.335   6.902  -9.286
   77   1HB   GLU  10          1HB       GLU  10  -9.021   5.006  -7.049
   78   2HB   GLU  10          2HB       GLU  10  -8.390   6.631  -6.827
   79   1HG   GLU  10          1HG       GLU  10 -10.373   7.554  -7.904
   80   2HG   GLU  10          2HG       GLU  10 -11.005   5.926  -8.139
   81    H    PHE  11           H        PHE  11  -7.509   3.821  -7.812
   82    HA   PHE  11           HA       PHE  11  -4.862   4.350  -7.205
   83   1HB   PHE  11          1HB       PHE  11  -6.229   2.369  -6.462
   84   2HB   PHE  11          2HB       PHE  11  -5.947   1.655  -8.045
   85    HD1  PHE  11           HD1      PHE  11  -5.141  -0.165  -6.325
   86    HD2  PHE  11           HD2      PHE  11  -3.078   3.470  -7.134
   87    HE1  PHE  11           HE1      PHE  11  -3.055  -1.163  -5.486
   88    HE2  PHE  11           HE2      PHE  11  -0.991   2.473  -6.308
   89    HZ   PHE  11           HZ       PHE  11  -0.978   0.157  -5.481
   90    H    ASP  12           H        ASP  12  -6.305   3.480 -10.257
   91    HA   ASP  12           HA       ASP  12  -4.110   2.528 -11.662
   92   1HB   ASP  12          1HB       ASP  12  -6.403   2.518 -12.550
   93   2HB   ASP  12          2HB       ASP  12  -6.358   4.272 -12.696
   94    H    SER  13           H        SER  13  -5.010   5.828 -10.865
   95    HA   SER  13           HA       SER  13  -2.936   6.985 -12.509
   96   1HB   SER  13          1HB       SER  13  -3.672   9.126 -11.518
   97   2HB   SER  13          2HB       SER  13  -5.025   8.208 -12.174
   98    HG   SER  13           HG       SER  13  -5.662   7.681 -10.138
   99    H    ALA  14           H        ALA  14  -3.459   6.275  -9.105
  100    HA   ALA  14           HA       ALA  14  -1.459   7.658  -7.863
  101   1HB   ALA  14          1HB       ALA  14  -1.927   6.376  -6.088
  102   2HB   ALA  14          2HB       ALA  14  -1.610   4.877  -6.961
  103   3HB   ALA  14          3HB       ALA  14  -3.175   5.676  -7.119
  104    H    ILE  15           H        ILE  15  -1.104   4.485  -9.444
  105    HA   ILE  15           HA       ILE  15   1.732   4.417  -8.992
  106    HB   ILE  15           HB       ILE  15   1.728   2.389 -10.356
  107   1HG1  ILE  15          1HG1      ILE  15  -1.202   3.031 -10.773
  108   2HG1  ILE  15          2HG1      ILE  15   0.045   2.951 -12.013
  109   1HG2  ILE  15          1HG2      ILE  15   1.113   2.397  -7.932
  110   2HG2  ILE  15          2HG2      ILE  15   0.498   1.020  -8.847
  111   3HG2  ILE  15          3HG2      ILE  15  -0.580   2.351  -8.425
  112   1HD1  ILE  15          1HD1      ILE  15  -1.424   0.977 -11.970
  113   2HD1  ILE  15          2HD1      ILE  15  -0.850   0.617 -10.342
  114   3HD1  ILE  15          3HD1      ILE  15   0.274   0.583 -11.701
  115    H    ALA  16           H        ALA  16  -0.311   4.839 -11.877
  116    HA   ALA  16           HA       ALA  16   1.482   5.006 -13.875
  117   1HB   ALA  16          1HB       ALA  16  -0.130   6.012 -15.105
  118   2HB   ALA  16          2HB       ALA  16  -0.487   7.211 -13.861
  119   3HB   ALA  16          3HB       ALA  16  -1.116   5.571 -13.710
  120    H    GLN  17           H        GLN  17   3.498   5.785 -13.442
  121    HA   GLN  17           HA       GLN  17   5.175   7.271 -12.988
  122   1HB   GLN  17          1HB       GLN  17   3.310   9.028 -14.591
  123   2HB   GLN  17          2HB       GLN  17   5.015   9.348 -14.310
  124   1HG   GLN  17          1HG       GLN  17   5.603   7.302 -15.503
  125   2HG   GLN  17          2HG       GLN  17   3.888   6.975 -15.782
  126   1HE2  GLN  17          1HE2      GLN  17   6.589   8.108 -17.193
  127   2HE2  GLN  17          2HE2      GLN  17   5.900   9.153 -18.383
  128    H    ASP  18           H        ASP  18   4.929   7.442 -10.716
  129    HA   ASP  18           HA       ASP  18   4.504  10.088  -9.816
  130   1HB   ASP  18          1HB       ASP  18   2.131   9.164 -10.089
  131   2HB   ASP  18          2HB       ASP  18   2.500   8.130  -8.711
  132    H    LYS  19           H        LYS  19   6.630   8.275  -9.629
  133    HA   LYS  19           HA       LYS  19   8.202   7.615  -8.119
  134   1HB   LYS  19          1HB       LYS  19   6.343   8.972  -6.183
  135   2HB   LYS  19          2HB       LYS  19   7.965   8.440  -5.788
  136   1HG   LYS  19          1HG       LYS  19   8.095  10.756  -6.185
  137   2HG   LYS  19          2HG       LYS  19   8.797   9.963  -7.596
  138   1HD   LYS  19          1HD       LYS  19   6.790  10.332  -8.869
  139   2HD   LYS  19          2HD       LYS  19   5.953  10.958  -7.448
  140   1HE   LYS  19          1HE       LYS  19   7.527  12.831  -7.359
  141   2HE   LYS  19          2HE       LYS  19   8.361  12.197  -8.778
  142   1HZ   LYS  19          1HZ       LYS  19   5.840  13.625  -8.594
  143   2HZ   LYS  19          2HZ       LYS  19   5.870  12.341  -9.694
  144   3HZ   LYS  19          3HZ       LYS  19   6.986  13.604  -9.839
  145    H    LEU  20           H        LEU  20   7.742   6.731  -5.421
  146    HA   LEU  20           HA       LEU  20   6.588   4.126  -6.045
  147   1HB   LEU  20          1HB       LEU  20   8.859   4.182  -5.141
  148   2HB   LEU  20          2HB       LEU  20   8.281   5.044  -3.717
  149    HG   LEU  20           HG       LEU  20   6.898   3.063  -3.135
  150   1HD1  LEU  20          1HD1      LEU  20   7.499   2.284  -5.764
  151   2HD1  LEU  20          2HD1      LEU  20   6.575   1.397  -4.553
  152   3HD1  LEU  20          3HD1      LEU  20   8.310   1.131  -4.705
  153   1HD2  LEU  20          1HD2      LEU  20   9.864   3.020  -3.290
  154   2HD2  LEU  20          2HD2      LEU  20   9.035   1.552  -2.771
  155   3HD2  LEU  20          3HD2      LEU  20   8.803   3.058  -1.882
  156    H    VAL  21           H        VAL  21   4.563   3.786  -5.510
  157    HA   VAL  21           HA       VAL  21   3.376   5.243  -3.263
  158    HB   VAL  21           HB       VAL  21   2.023   3.601  -5.411
  159   1HG1  VAL  21          1HG1      VAL  21   0.776   3.705  -3.291
  160   2HG1  VAL  21          2HG1      VAL  21  -0.049   4.553  -4.599
  161   3HG1  VAL  21          3HG1      VAL  21   0.824   5.466  -3.368
  162   1HG2  VAL  21          1HG2      VAL  21   1.207   6.123  -5.860
  163   2HG2  VAL  21          2HG2      VAL  21   2.597   5.392  -6.661
  164   3HG2  VAL  21          3HG2      VAL  21   2.836   6.432  -5.258
  165    H    VAL  22           H        VAL  22   2.921   4.243  -1.400
  166    HA   VAL  22           HA       VAL  22   3.312   1.342  -1.265
  167    HB   VAL  22           HB       VAL  22   3.136   3.340   0.997
  168   1HG1  VAL  22          1HG1      VAL  22   2.493   0.995   1.550
  169   2HG1  VAL  22          2HG1      VAL  22   3.913   1.576   2.421
  170   3HG1  VAL  22          3HG1      VAL  22   4.105   0.486   1.048
  171   1HG2  VAL  22          1HG2      VAL  22   5.136   3.325  -0.735
  172   2HG2  VAL  22          2HG2      VAL  22   5.666   1.969   0.258
  173   3HG2  VAL  22          3HG2      VAL  22   5.409   3.551   0.992
  174    H    VAL  23           H        VAL  23   1.337   0.609  -2.011
  175    HA   VAL  23           HA       VAL  23  -1.058   1.434  -0.536
  176    HB   VAL  23           HB       VAL  23  -0.877  -0.247  -3.039
  177   1HG1  VAL  23          1HG1      VAL  23  -2.912  -0.669  -1.818
  178   2HG1  VAL  23          2HG1      VAL  23  -3.282   0.301  -3.244
  179   3HG1  VAL  23          3HG1      VAL  23  -3.215   1.061  -1.655
  180   1HG2  VAL  23          1HG2      VAL  23  -0.879   2.666  -2.601
  181   2HG2  VAL  23          2HG2      VAL  23  -1.980   2.075  -3.842
  182   3HG2  VAL  23          3HG2      VAL  23  -0.258   1.721  -3.953
  183    H    ASP  24           H        ASP  24  -2.080   0.116   0.829
  184    HA   ASP  24           HA       ASP  24  -0.986  -2.579   1.201
  185   1HB   ASP  24          1HB       ASP  24  -0.921  -1.084   3.157
  186   2HB   ASP  24          2HB       ASP  24  -2.677  -0.887   3.061
  187    H    PHE  25           H        PHE  25  -2.182  -4.340   0.742
  188    HA   PHE  25           HA       PHE  25  -4.944  -3.950  -0.106
  189   1HB   PHE  25          1HB       PHE  25  -2.889  -6.109  -0.561
  190   2HB   PHE  25          2HB       PHE  25  -4.584  -6.326  -0.988
  191    HD1  PHE  25           HD1      PHE  25  -2.137  -3.525  -1.422
  192    HD2  PHE  25           HD2      PHE  25  -4.905  -6.205  -3.214
  193    HE1  PHE  25           HE1      PHE  25  -1.678  -2.514  -3.613
  194    HE2  PHE  25           HE2      PHE  25  -4.472  -5.186  -5.407
  195    HZ   PHE  25           HZ       PHE  25  -2.860  -3.335  -5.613
  196    H    TYR  26           H        TYR  26  -4.815  -3.740   2.529
  197    HA   TYR  26           HA       TYR  26  -4.826  -5.961   4.147
  198   1HB   TYR  26          1HB       TYR  26  -6.500  -4.633   5.549
  199   2HB   TYR  26          2HB       TYR  26  -4.962  -3.852   5.197
  200    HD1  TYR  26           HD1      TYR  26  -8.299  -4.146   3.501
  201    HD2  TYR  26           HD2      TYR  26  -5.125  -1.596   4.739
  202    HE1  TYR  26           HE1      TYR  26  -9.478  -2.222   2.545
  203    HE2  TYR  26           HE2      TYR  26  -6.304   0.319   3.833
  204    HH   TYR  26           HH       TYR  26  -8.131   0.607   1.861
  205    H    ALA  27           H        ALA  27  -6.266  -7.546   4.693
  206    HA   ALA  27           HA       ALA  27  -8.209  -8.278   2.773
  207   1HB   ALA  27          1HB       ALA  27  -8.894  -9.978   4.506
  208   2HB   ALA  27          2HB       ALA  27  -7.657  -9.285   5.554
  209   3HB   ALA  27          3HB       ALA  27  -7.201 -10.023   4.019
  210    H    THR  28           H        THR  28 -10.420  -8.117   2.784
  211    HA   THR  28           HA       THR  28 -11.579  -5.898   3.999
  212    HB   THR  28           HB       THR  28 -12.574  -6.807   2.037
  213    HG1  THR  28           HG1      THR  28 -14.352  -7.359   4.174
  214   1HG2  THR  28          1HG2      THR  28 -13.758  -8.960   2.015
  215   2HG2  THR  28          2HG2      THR  28 -13.100  -9.316   3.612
  216   3HG2  THR  28          3HG2      THR  28 -12.018  -9.143   2.230
  217    H    TRP  29           H        TRP  29 -10.898  -8.981   5.261
  218    HA   TRP  29           HA       TRP  29 -12.726  -8.609   7.524
  219   1HB   TRP  29          1HB       TRP  29 -12.125 -11.072   7.971
  220   2HB   TRP  29          2HB       TRP  29 -13.123 -10.731   6.552
  221    HD1  TRP  29           HD1      TRP  29 -11.731 -10.664   4.138
  222    HE1  TRP  29           HE1      TRP  29  -9.765 -12.129   3.365
  223    HE3  TRP  29           HE3      TRP  29 -10.139 -12.382   8.693
  224    HZ2  TRP  29           HZ2      TRP  29  -7.800 -13.776   4.520
  225    HZ3  TRP  29           HZ3      TRP  29  -8.207 -13.884   8.770
  226    HH2  TRP  29           HH2      TRP  29  -7.061 -14.577   6.725
  227    H    CYS  30           H        CYS  30 -10.577 -10.768   8.621
  228    HA   CYS  30           HA       CYS  30  -8.874 -10.765  10.098
  229   1HB   CYS  30          1HB       CYS  30  -7.506 -10.027   8.278
  230   2HB   CYS  30          2HB       CYS  30  -8.101  -8.377   8.428
  231    HG   CYS  30           HG       CYS  30  -6.341  -9.595  10.682
  232    H    GLY  31           H        GLY  31  -8.076  -9.724  12.031
  233   1HA   GLY  31          1HA       GLY  31 -10.065  -7.934  13.166
  234   2HA   GLY  31          2HA       GLY  31  -8.774  -8.747  14.037
  235    HA   PRO  32           HA       PRO  32  -6.527  -4.957  14.084
  236   1HB   PRO  32          1HB       PRO  32  -3.957  -5.794  14.089
  237   2HB   PRO  32          2HB       PRO  32  -5.029  -6.020  15.477
  238   1HG   PRO  32          1HG       PRO  32  -4.252  -7.975  13.347
  239   2HG   PRO  32          2HG       PRO  32  -4.382  -8.221  15.098
  240   1HD   PRO  32          1HD       PRO  32  -6.319  -8.982  13.346
  241   2HD   PRO  32          2HD       PRO  32  -6.665  -8.490  15.016
  242    H    CYS  33           H        CYS  33  -7.479  -5.057  11.643
  243    HA   CYS  33           HA       CYS  33  -5.198  -4.845   9.794
  244   1HB   CYS  33          1HB       CYS  33  -6.858  -5.055   7.986
  245   2HB   CYS  33          2HB       CYS  33  -6.912  -6.436   9.088
  246    HG   CYS  33           HG       CYS  33  -9.271  -4.943   8.356
  247    H    LYS  34           H        LYS  34  -7.653  -3.053  11.417
  248    HA   LYS  34           HA       LYS  34  -7.531  -0.792   9.610
  249   1HB   LYS  34          1HB       LYS  34  -8.892  -1.101  12.292
  250   2HB   LYS  34          2HB       LYS  34  -9.069   0.280  11.217
  251   1HG   LYS  34          1HG       LYS  34 -10.060  -1.169   9.517
  252   2HG   LYS  34          2HG       LYS  34  -9.889  -2.552  10.600
  253   1HD   LYS  34          1HD       LYS  34 -11.358  -1.452  12.226
  254   2HD   LYS  34          2HD       LYS  34 -11.536  -0.080  11.130
  255   1HE   LYS  34          1HE       LYS  34 -13.453  -1.579  10.975
  256   2HE   LYS  34          2HE       LYS  34 -12.556  -1.536   9.458
  257   1HZ   LYS  34          1HZ       LYS  34 -11.541  -3.599  11.089
  258   2HZ   LYS  34          2HZ       LYS  34 -12.282  -3.716   9.572
  259   3HZ   LYS  34          3HZ       LYS  34 -13.221  -3.765  10.977
  260    H    MET  35           H        MET  35  -5.971  -1.868  12.502
  261    HA   MET  35           HA       MET  35  -5.122   0.614  13.530
  262   1HB   MET  35          1HB       MET  35  -5.009  -1.456  14.832
  263   2HB   MET  35          2HB       MET  35  -3.805  -2.102  13.725
  264   1HG   MET  35          1HG       MET  35  -2.253  -0.332  14.379
  265   2HG   MET  35          2HG       MET  35  -3.460   0.310  15.492
  266   1HE   MET  35          1HE       MET  35  -2.711  -3.473  14.731
  267   2HE   MET  35          2HE       MET  35  -1.508  -3.845  15.968
  268   3HE   MET  35          3HE       MET  35  -1.113  -2.731  14.660
  269    H    ILE  36           H        ILE  36  -4.274  -0.970  10.670
  270    HA   ILE  36           HA       ILE  36  -1.581   0.020  10.487
  271    HB   ILE  36           HB       ILE  36  -3.378  -1.296   8.454
  272   1HG1  ILE  36          1HG1      ILE  36  -1.717  -3.185   8.802
  273   2HG1  ILE  36          2HG1      ILE  36  -1.117  -2.282  10.187
  274   1HG2  ILE  36          1HG2      ILE  36  -0.909  -1.641   7.463
  275   2HG2  ILE  36          2HG2      ILE  36  -0.723  -0.053   8.212
  276   3HG2  ILE  36          3HG2      ILE  36  -1.975  -0.316   7.000
  277   1HD1  ILE  36          1HD1      ILE  36  -4.020  -2.847  10.046
  278   2HD1  ILE  36          2HD1      ILE  36  -2.957  -2.710  11.445
  279   3HD1  ILE  36          3HD1      ILE  36  -2.922  -4.166  10.450
  280    H    ALA  37           H        ALA  37  -4.762   1.051   9.463
  281    HA   ALA  37           HA       ALA  37  -4.203   2.822   7.433
  282   1HB   ALA  37          1HB       ALA  37  -6.293   3.689   7.761
  283   2HB   ALA  37          2HB       ALA  37  -6.138   3.692   9.517
  284   3HB   ALA  37          3HB       ALA  37  -6.444   2.180   8.662
  285    HA   PRO  38           HA       PRO  38  -3.139   6.255  10.627
  286   1HB   PRO  38          1HB       PRO  38  -2.293   5.438  13.087
  287   2HB   PRO  38          2HB       PRO  38  -3.972   5.864  12.727
  288   1HG   PRO  38          1HG       PRO  38  -2.710   3.183  13.007
  289   2HG   PRO  38          2HG       PRO  38  -4.338   3.715  13.456
  290   1HD   PRO  38          1HD       PRO  38  -3.733   2.264  11.205
  291   2HD   PRO  38          2HD       PRO  38  -5.171   3.271  11.375
  292    H    MET  39           H        MET  39  -1.432   3.159  10.992
  293    HA   MET  39           HA       MET  39   1.138   4.241  11.269
  294   1HB   MET  39          1HB       MET  39   0.146   1.580  10.273
  295   2HB   MET  39          2HB       MET  39   1.828   1.948  10.517
  296   1HG   MET  39          1HG       MET  39   1.214   2.489  12.886
  297   2HG   MET  39          2HG       MET  39  -0.344   1.757  12.552
  298   1HE   MET  39          1HE       MET  39   0.414  -0.438  10.547
  299   2HE   MET  39          2HE       MET  39  -0.572  -0.982  11.903
  300   3HE   MET  39          3HE       MET  39   0.886  -1.870  11.461
  301    H    ILE  40           H        ILE  40  -0.546   2.854   8.443
  302    HA   ILE  40           HA       ILE  40   1.291   3.280   6.460
  303    HB   ILE  40           HB       ILE  40  -1.713   3.671   6.328
  304   1HG1  ILE  40          1HG1      ILE  40   0.066   1.351   5.550
  305   2HG1  ILE  40          2HG1      ILE  40  -1.028   1.413   6.925
  306   1HG2  ILE  40          1HG2      ILE  40  -1.410   4.562   4.305
  307   2HG2  ILE  40          2HG2      ILE  40  -0.825   2.982   3.784
  308   3HG2  ILE  40          3HG2      ILE  40   0.318   4.209   4.330
  309   1HD1  ILE  40          1HD1      ILE  40  -1.993   0.112   5.121
  310   2HD1  ILE  40          2HD1      ILE  40  -1.820   1.476   4.020
  311   3HD1  ILE  40          3HD1      ILE  40  -2.936   1.579   5.380
  312    H    GLU  41           H        GLU  41  -0.601   5.642   8.172
  313    HA   GLU  41           HA       GLU  41  -0.015   7.809   6.366
  314   1HB   GLU  41          1HB       GLU  41  -2.106   7.784   7.609
  315   2HB   GLU  41          2HB       GLU  41  -1.233   7.760   9.135
  316   1HG   GLU  41          1HG       GLU  41  -0.330   9.981   8.645
  317   2HG   GLU  41          2HG       GLU  41  -1.209  10.001   7.116
  318    H    LYS  42           H        LYS  42   1.131   6.682   9.518
  319    HA   LYS  42           HA       LYS  42   2.764   8.858  10.159
  320   1HB   LYS  42          1HB       LYS  42   3.051   5.942  10.887
  321   2HB   LYS  42          2HB       LYS  42   3.994   7.237  11.611
  322   1HG   LYS  42          1HG       LYS  42   1.959   8.251  12.480
  323   2HG   LYS  42          2HG       LYS  42   0.997   6.976  11.731
  324   1HD   LYS  42          1HD       LYS  42   1.342   6.530  14.105
  325   2HD   LYS  42          2HD       LYS  42   2.133   5.306  13.111
  326   1HE   LYS  42          1HE       LYS  42   4.275   6.442  13.408
  327   2HE   LYS  42          2HE       LYS  42   3.488   7.684  14.381
  328   1HZ   LYS  42          1HZ       LYS  42   4.660   5.533  15.410
  329   2HZ   LYS  42          2HZ       LYS  42   3.082   4.946  15.258
  330   3HZ   LYS  42          3HZ       LYS  42   3.379   6.341  16.165
  331    H    PHE  43           H        PHE  43   3.282   6.219   7.940
  332    HA   PHE  43           HA       PHE  43   6.117   6.629   7.762
  333   1HB   PHE  43          1HB       PHE  43   4.200   5.020   6.076
  334   2HB   PHE  43          2HB       PHE  43   5.932   5.103   5.759
  335    HD1  PHE  43           HD1      PHE  43   3.646   4.453   8.631
  336    HD2  PHE  43           HD2      PHE  43   7.215   3.396   6.576
  337    HE1  PHE  43           HE1      PHE  43   4.019   2.624  10.234
  338    HE2  PHE  43           HE2      PHE  43   7.596   1.563   8.171
  339    HZ   PHE  43           HZ       PHE  43   5.996   1.173  10.003
  340    H    SER  44           H        SER  44   3.340   8.017   6.291
  341    HA   SER  44           HA       SER  44   4.531   8.912   3.885
  342   1HB   SER  44          1HB       SER  44   2.099   8.838   4.168
  343   2HB   SER  44          2HB       SER  44   2.201  10.074   5.434
  344    HG   SER  44           HG       SER  44   2.096  10.387   2.768
  345    H    GLU  45           H        GLU  45   5.098   9.821   7.084
  346    HA   GLU  45           HA       GLU  45   5.779  12.578   6.488
  347   1HB   GLU  45          1HB       GLU  45   6.149  10.975   9.024
  348   2HB   GLU  45          2HB       GLU  45   6.396  12.707   8.862
  349   1HG   GLU  45          1HG       GLU  45   3.783  11.262   8.489
  350   2HG   GLU  45          2HG       GLU  45   4.260  12.188   9.913
  351    H    GLN  46           H        GLN  46   7.348   9.492   6.745
  352    HA   GLN  46           HA       GLN  46  10.001  10.680   6.884
  353   1HB   GLN  46          1HB       GLN  46   9.137   7.789   6.709
  354   2HB   GLN  46          2HB       GLN  46  10.794   8.340   6.924
  355   1HG   GLN  46          1HG       GLN  46  10.175   9.370   9.047
  356   2HG   GLN  46          2HG       GLN  46   8.517   8.815   8.831
  357   1HE2  GLN  46          1HE2      GLN  46   8.048   7.095   9.970
  358   2HE2  GLN  46          2HE2      GLN  46   9.142   5.803  10.385
  359    H    TYR  47           H        TYR  47   7.872   9.163   4.561
  360    HA   TYR  47           HA       TYR  47   9.886   9.680   2.473
  361   1HB   TYR  47          1HB       TYR  47   7.863   7.433   2.532
  362   2HB   TYR  47          2HB       TYR  47   9.013   7.747   1.239
  363    HD1  TYR  47           HD1      TYR  47  11.452   7.426   1.657
  364    HD2  TYR  47           HD2      TYR  47   8.502   6.290   4.499
  365    HE1  TYR  47           HE1      TYR  47  13.112   6.016   2.800
  366    HE2  TYR  47           HE2      TYR  47  10.151   4.858   5.647
  367    HH   TYR  47           HH       TYR  47  12.953   3.867   4.337
  368    HA   PRO  48           HA       PRO  48   5.723  12.028   2.088
  369   1HB   PRO  48          1HB       PRO  48   7.228  14.343   1.452
  370   2HB   PRO  48          2HB       PRO  48   6.311  14.035   2.927
  371   1HG   PRO  48          1HG       PRO  48   9.212  13.782   2.420
  372   2HG   PRO  48          2HG       PRO  48   8.355  14.104   3.936
  373   1HD   PRO  48          1HD       PRO  48   9.515  11.719   3.382
  374   2HD   PRO  48          2HD       PRO  48   8.051  11.853   4.382
  375    H    GLN  49           H        GLN  49   8.658  11.663   0.265
  376    HA   GLN  49           HA       GLN  49   7.743  12.738  -2.186
  377   1HB   GLN  49          1HB       GLN  49   9.853  10.640  -1.643
  378   2HB   GLN  49          2HB       GLN  49   9.599  11.419  -3.199
  379   1HG   GLN  49          1HG       GLN  49  10.356  12.835  -0.651
  380   2HG   GLN  49          2HG       GLN  49  11.476  12.370  -1.926
  381   1HE2  GLN  49          1HE2      GLN  49   8.892  13.140  -3.675
  382   2HE2  GLN  49          2HE2      GLN  49   9.142  14.831  -3.896
  383    H    ALA  50           H        ALA  50   7.404   9.643  -0.628
  384    HA   ALA  50           HA       ALA  50   6.155   8.467  -2.995
  385   1HB   ALA  50          1HB       ALA  50   7.334   7.410  -0.491
  386   2HB   ALA  50          2HB       ALA  50   7.470   6.820  -2.146
  387   3HB   ALA  50          3HB       ALA  50   6.011   6.493  -1.210
  388    H    ASP  51           H        ASP  51   4.020   7.790  -3.049
  389    HA   ASP  51           HA       ASP  51   2.263   9.135  -1.158
  390   1HB   ASP  51          1HB       ASP  51   1.646   7.619  -3.703
  391   2HB   ASP  51          2HB       ASP  51   0.459   8.476  -2.724
  392    H    PHE  52           H        PHE  52   1.163   8.154   0.419
  393    HA   PHE  52           HA       PHE  52   1.357   5.229   0.577
  394   1HB   PHE  52          1HB       PHE  52   0.945   7.312   2.726
  395   2HB   PHE  52          2HB       PHE  52   0.832   5.568   3.012
  396    HD1  PHE  52           HD1      PHE  52   3.173   7.997   1.410
  397    HD2  PHE  52           HD2      PHE  52   2.693   4.541   3.842
  398    HE1  PHE  52           HE1      PHE  52   5.611   7.892   1.732
  399    HE2  PHE  52           HE2      PHE  52   5.126   4.426   4.168
  400    HZ   PHE  52           HZ       PHE  52   6.589   6.104   3.117
  401    H    TYR  53           H        TYR  53  -0.390   4.665  -0.671
  402    HA   TYR  53           HA       TYR  53  -3.033   5.598   0.190
  403   1HB   TYR  53          1HB       TYR  53  -2.029   4.277  -2.321
  404   2HB   TYR  53          2HB       TYR  53  -3.747   4.318  -1.935
  405    HD1  TYR  53           HD1      TYR  53  -4.709   6.695  -1.384
  406    HD2  TYR  53           HD2      TYR  53  -1.114   6.015  -3.549
  407    HE1  TYR  53           HE1      TYR  53  -4.891   8.935  -2.377
  408    HE2  TYR  53           HE2      TYR  53  -1.281   8.257  -4.545
  409    HH   TYR  53           HH       TYR  53  -2.957  10.648  -3.422
  410    H    LYS  54           H        LYS  54  -4.715   3.666  -0.318
  411    HA   LYS  54           HA       LYS  54  -3.722   1.180   0.851
  412   1HB   LYS  54          1HB       LYS  54  -6.118   2.663   1.948
  413   2HB   LYS  54          2HB       LYS  54  -5.508   1.109   2.493
  414   1HG   LYS  54          1HG       LYS  54  -3.640   2.044   3.497
  415   2HG   LYS  54          2HG       LYS  54  -3.767   3.536   2.573
  416   1HD   LYS  54          1HD       LYS  54  -4.410   3.826   4.934
  417   2HD   LYS  54          2HD       LYS  54  -5.726   4.196   3.823
  418   1HE   LYS  54          1HE       LYS  54  -6.470   2.908   5.783
  419   2HE   LYS  54          2HE       LYS  54  -6.754   2.057   4.269
  420   1HZ   LYS  54          1HZ       LYS  54  -4.619   0.853   4.725
  421   2HZ   LYS  54          2HZ       LYS  54  -5.884   0.495   5.786
  422   3HZ   LYS  54          3HZ       LYS  54  -4.639   1.526   6.275
  423    H    LEU  55           H        LEU  55  -4.807  -0.635   0.181
  424    HA   LEU  55           HA       LEU  55  -6.826  -0.194  -1.906
  425   1HB   LEU  55          1HB       LEU  55  -4.662  -1.347  -2.481
  426   2HB   LEU  55          2HB       LEU  55  -5.150  -2.653  -1.422
  427    HG   LEU  55           HG       LEU  55  -5.536  -3.089  -3.848
  428   1HD1  LEU  55          1HD1      LEU  55  -7.196  -4.473  -3.300
  429   2HD1  LEU  55          2HD1      LEU  55  -8.266  -3.151  -2.837
  430   3HD1  LEU  55          3HD1      LEU  55  -7.080  -3.769  -1.687
  431   1HD2  LEU  55          1HD2      LEU  55  -6.818  -1.792  -5.158
  432   2HD2  LEU  55          2HD2      LEU  55  -6.458  -0.549  -3.960
  433   3HD2  LEU  55          3HD2      LEU  55  -7.973  -1.450  -3.869
  434    H    ASP  56           H        ASP  56  -8.747  -1.310  -1.949
  435    HA   ASP  56           HA       ASP  56  -9.551  -2.469   0.619
  436   1HB   ASP  56          1HB       ASP  56 -10.839  -0.542  -0.506
  437   2HB   ASP  56          2HB       ASP  56 -11.399  -1.754  -1.655
  438    H    VAL  57           H        VAL  57  -9.512  -4.615   0.777
  439    HA   VAL  57           HA       VAL  57  -9.459  -6.302  -1.548
  440    HB   VAL  57           HB       VAL  57  -9.506  -6.949   1.409
  441   1HG1  VAL  57          1HG1      VAL  57 -10.512  -8.841   0.368
  442   2HG1  VAL  57          2HG1      VAL  57  -8.821  -9.266   0.638
  443   3HG1  VAL  57          3HG1      VAL  57  -9.368  -8.801  -0.974
  444   1HG2  VAL  57          1HG2      VAL  57  -7.303  -7.268  -0.634
  445   2HG2  VAL  57          2HG2      VAL  57  -7.183  -7.465   1.116
  446   3HG2  VAL  57          3HG2      VAL  57  -7.473  -5.868   0.426
  447    H    ASP  58           H        ASP  58 -11.938  -4.776   0.012
  448    HA   ASP  58           HA       ASP  58 -13.888  -6.928  -0.360
  449   1HB   ASP  58          1HB       ASP  58 -13.980  -5.565   1.722
  450   2HB   ASP  58          2HB       ASP  58 -14.278  -4.135   0.746
  451    H    GLU  59           H        GLU  59 -13.331  -3.560  -1.306
  452    HA   GLU  59           HA       GLU  59 -15.375  -3.646  -3.335
  453   1HB   GLU  59          1HB       GLU  59 -14.908  -1.600  -2.021
  454   2HB   GLU  59          2HB       GLU  59 -13.304  -1.515  -2.743
  455   1HG   GLU  59          1HG       GLU  59 -14.737   0.027  -3.871
  456   2HG   GLU  59          2HG       GLU  59 -14.382  -1.307  -4.968
  457    H    LEU  60           H        LEU  60 -11.847  -3.643  -3.189
  458    HA   LEU  60           HA       LEU  60 -11.777  -4.181  -6.085
  459   1HB   LEU  60          1HB       LEU  60  -9.613  -3.083  -4.287
  460   2HB   LEU  60          2HB       LEU  60  -9.407  -3.454  -5.987
  461    HG   LEU  60           HG       LEU  60 -11.139  -1.743  -6.521
  462   1HD1  LEU  60          1HD1      LEU  60 -11.203  -0.087  -4.368
  463   2HD1  LEU  60          2HD1      LEU  60 -11.292  -1.672  -3.599
  464   3HD1  LEU  60          3HD1      LEU  60 -12.483  -1.213  -4.813
  465   1HD2  LEU  60          1HD2      LEU  60  -9.130  -0.264  -4.943
  466   2HD2  LEU  60          2HD2      LEU  60  -9.576  -0.116  -6.644
  467   3HD2  LEU  60          3HD2      LEU  60  -8.507  -1.418  -6.123
  468    H    GLY  61           H        GLY  61 -12.450  -6.257  -4.406
  469   1HA   GLY  61          1HA       GLY  61 -10.432  -7.824  -3.348
  470   2HA   GLY  61          2HA       GLY  61 -11.910  -8.461  -4.052
  471    H    ASP  62           H        ASP  62 -11.124  -7.194  -6.687
  472    HA   ASP  62           HA       ASP  62  -9.810  -9.472  -7.752
  473   1HB   ASP  62          1HB       ASP  62 -10.415  -6.832  -9.019
  474   2HB   ASP  62          2HB       ASP  62  -9.877  -8.256  -9.889
  475    H    VAL  63           H        VAL  63  -8.789  -6.077  -7.368
  476    HA   VAL  63           HA       VAL  63  -6.225  -6.377  -8.429
  477    HB   VAL  63           HB       VAL  63  -6.901  -4.542  -6.123
  478   1HG1  VAL  63          1HG1      VAL  63  -5.174  -3.593  -8.281
  479   2HG1  VAL  63          2HG1      VAL  63  -4.517  -4.970  -7.396
  480   3HG1  VAL  63          3HG1      VAL  63  -4.963  -3.497  -6.533
  481   1HG2  VAL  63          1HG2      VAL  63  -7.534  -4.283  -9.050
  482   2HG2  VAL  63          2HG2      VAL  63  -7.412  -2.882  -7.985
  483   3HG2  VAL  63          3HG2      VAL  63  -8.623  -4.126  -7.672
  484    H    ALA  64           H        ALA  64  -7.558  -7.445  -5.432
  485    HA   ALA  64           HA       ALA  64  -5.016  -7.877  -4.101
  486   1HB   ALA  64          1HB       ALA  64  -7.878  -8.252  -3.454
  487   2HB   ALA  64          2HB       ALA  64  -6.559  -7.637  -2.458
  488   3HB   ALA  64          3HB       ALA  64  -6.753  -9.374  -2.690
  489    H    GLN  65           H        GLN  65  -7.155  -9.553  -6.258
  490    HA   GLN  65           HA       GLN  65  -5.896 -12.131  -5.785
  491   1HB   GLN  65          1HB       GLN  65  -7.671 -13.081  -6.876
  492   2HB   GLN  65          2HB       GLN  65  -8.437 -11.580  -6.379
  493   1HG   GLN  65          1HG       GLN  65  -8.068 -10.632  -8.579
  494   2HG   GLN  65          2HG       GLN  65  -7.229 -12.095  -9.089
  495   1HE2  GLN  65          1HE2      GLN  65 -10.021 -10.517  -9.396
  496   2HE2  GLN  65          2HE2      GLN  65 -11.111 -11.836  -9.630
  497    H    LYS  66           H        LYS  66  -5.992  -9.561  -8.173
  498    HA   LYS  66           HA       LYS  66  -4.705 -10.833 -10.295
  499   1HB   LYS  66          1HB       LYS  66  -4.323  -8.686 -11.209
  500   2HB   LYS  66          2HB       LYS  66  -5.807  -8.530 -10.278
  501   1HG   LYS  66          1HG       LYS  66  -4.574  -7.493  -8.462
  502   2HG   LYS  66          2HG       LYS  66  -3.074  -7.657  -9.372
  503   1HD   LYS  66          1HD       LYS  66  -5.488  -6.062 -10.228
  504   2HD   LYS  66          2HD       LYS  66  -4.003  -5.394  -9.548
  505   1HE   LYS  66          1HE       LYS  66  -2.741  -6.309 -11.446
  506   2HE   LYS  66          2HE       LYS  66  -4.238  -6.941 -12.127
  507   1HZ   LYS  66          1HZ       LYS  66  -3.321  -4.677 -12.928
  508   2HZ   LYS  66          2HZ       LYS  66  -4.018  -4.074 -11.511
  509   3HZ   LYS  66          3HZ       LYS  66  -4.983  -4.849 -12.663
  510    H    ASN  67           H        ASN  67  -3.319  -8.961  -7.607
  511    HA   ASN  67           HA       ASN  67  -0.628  -9.616  -8.397
  512   1HB   ASN  67          1HB       ASN  67  -1.782  -8.103  -6.045
  513   2HB   ASN  67          2HB       ASN  67  -0.058  -8.301  -6.358
  514   1HD2  ASN  67          1HD2      ASN  67  -2.546  -6.238  -6.661
  515   2HD2  ASN  67          2HD2      ASN  67  -1.998  -5.293  -8.019
  516    H    GLU  68           H        GLU  68  -2.973 -11.359  -6.957
  517    HA   GLU  68           HA       GLU  68  -3.014 -13.247  -5.701
  518   1HB   GLU  68          1HB       GLU  68  -0.007 -13.125  -5.989
  519   2HB   GLU  68          2HB       GLU  68  -0.921 -14.512  -5.414
  520   1HG   GLU  68          1HG       GLU  68  -2.027 -14.688  -7.581
  521   2HG   GLU  68          2HG       GLU  68  -1.120 -13.291  -8.159
  522    H    VAL  69           H        VAL  69  -3.105 -10.752  -4.375
  523    HA   VAL  69           HA       VAL  69  -1.686 -11.383  -1.867
  524    HB   VAL  69           HB       VAL  69  -2.647  -8.667  -2.775
  525   1HG1  VAL  69          1HG1      VAL  69  -2.603  -8.992  -0.338
  526   2HG1  VAL  69          2HG1      VAL  69  -1.395  -7.826  -0.869
  527   3HG1  VAL  69          3HG1      VAL  69  -0.907  -9.467  -0.438
  528   1HG2  VAL  69          1HG2      VAL  69  -0.506  -8.139  -3.465
  529   2HG2  VAL  69          2HG2      VAL  69  -0.650  -9.814  -3.996
  530   3HG2  VAL  69          3HG2      VAL  69   0.233  -9.429  -2.518
  531    H    SER  70           H        SER  70  -3.180 -12.531  -0.749
  532    HA   SER  70           HA       SER  70  -5.752 -11.206  -0.247
  533   1HB   SER  70          1HB       SER  70  -5.228 -14.149  -0.335
  534   2HB   SER  70          2HB       SER  70  -6.774 -13.404   0.072
  535    HG   SER  70           HG       SER  70  -5.399 -13.069  -2.394
  536    H    ALA  71           H        ALA  71  -2.954 -11.447   1.121
  537    HA   ALA  71           HA       ALA  71  -3.298 -12.758   3.578
  538   1HB   ALA  71          1HB       ALA  71  -1.255 -11.388   2.342
  539   2HB   ALA  71          2HB       ALA  71  -1.211 -12.058   3.974
  540   3HB   ALA  71          3HB       ALA  71  -1.640 -10.366   3.727
  541    H    MET  72           H        MET  72  -2.678 -10.628   5.455
  542    HA   MET  72           HA       MET  72  -4.707  -8.658   5.358
  543   1HB   MET  72          1HB       MET  72  -6.178  -9.482   7.108
  544   2HB   MET  72          2HB       MET  72  -6.167 -10.557   5.721
  545   1HG   MET  72          1HG       MET  72  -4.573 -11.022   8.218
  546   2HG   MET  72          2HG       MET  72  -6.166 -11.699   7.920
  547   1HE   MET  72          1HE       MET  72  -4.208 -13.358   8.865
  548   2HE   MET  72          2HE       MET  72  -3.333 -14.441   7.781
  549   3HE   MET  72          3HE       MET  72  -5.081 -14.595   7.960
  550    HA   PRO  73           HA       PRO  73  -3.757  -7.152   5.056
  551   1HB   PRO  73          1HB       PRO  73  -2.360  -4.931   5.304
  552   2HB   PRO  73          2HB       PRO  73  -3.789  -5.196   6.328
  553   1HG   PRO  73          1HG       PRO  73  -0.900  -5.422   7.008
  554   2HG   PRO  73          2HG       PRO  73  -2.247  -4.857   8.003
  555   1HD   PRO  73          1HD       PRO  73  -1.097  -7.450   8.003
  556   2HD   PRO  73          2HD       PRO  73  -2.580  -6.936   8.838
  557    H    THR  74           H        THR  74  -1.967  -5.742   3.593
  558    HA   THR  74           HA       THR  74   0.560  -7.168   3.447
  559    HB   THR  74           HB       THR  74  -1.309  -7.117   1.071
  560    HG1  THR  74           HG1      THR  74  -2.039  -8.643   2.534
  561   1HG2  THR  74          1HG2      THR  74   1.503  -7.627   1.297
  562   2HG2  THR  74          2HG2      THR  74   0.491  -7.548  -0.139
  563   3HG2  THR  74          3HG2      THR  74   0.658  -9.066   0.743
  564    H    LEU  75           H        LEU  75   2.120  -6.113   2.087
  565    HA   LEU  75           HA       LEU  75   1.412  -3.318   1.486
  566   1HB   LEU  75          1HB       LEU  75   4.086  -4.484   2.256
  567   2HB   LEU  75          2HB       LEU  75   3.799  -2.805   1.841
  568    HG   LEU  75           HG       LEU  75   2.673  -4.261   4.234
  569   1HD1  LEU  75          1HD1      LEU  75   4.078  -2.218   5.226
  570   2HD1  LEU  75          2HD1      LEU  75   5.015  -2.533   3.766
  571   3HD1  LEU  75          3HD1      LEU  75   4.765  -3.817   4.947
  572   1HD2  LEU  75          1HD2      LEU  75   1.825  -2.041   4.891
  573   2HD2  LEU  75          2HD2      LEU  75   1.071  -2.641   3.414
  574   3HD2  LEU  75          3HD2      LEU  75   2.326  -1.405   3.324
  575    H    LEU  76           H        LEU  76   1.541  -2.679  -0.566
  576    HA   LEU  76           HA       LEU  76   3.172  -4.277  -2.431
  577   1HB   LEU  76          1HB       LEU  76   0.509  -2.946  -2.944
  578   2HB   LEU  76          2HB       LEU  76   1.513  -3.671  -4.197
  579    HG   LEU  76           HG       LEU  76   0.001  -5.032  -1.984
  580   1HD1  LEU  76          1HD1      LEU  76  -0.541  -4.531  -4.666
  581   2HD1  LEU  76          2HD1      LEU  76  -1.393  -5.643  -3.595
  582   3HD1  LEU  76          3HD1      LEU  76  -0.072  -6.230  -4.604
  583   1HD2  LEU  76          1HD2      LEU  76   1.182  -7.109  -3.182
  584   2HD2  LEU  76          2HD2      LEU  76   1.848  -6.328  -1.747
  585   3HD2  LEU  76          3HD2      LEU  76   2.475  -5.921  -3.344
  586    H    LEU  77           H        LEU  77   4.671  -3.208  -3.552
  587    HA   LEU  77           HA       LEU  77   4.598  -0.264  -3.494
  588   1HB   LEU  77          1HB       LEU  77   6.960  -2.125  -3.776
  589   2HB   LEU  77          2HB       LEU  77   7.049  -0.376  -3.820
  590    HG   LEU  77           HG       LEU  77   6.202  -0.309  -1.485
  591   1HD1  LEU  77          1HD1      LEU  77   5.022  -2.222  -1.049
  592   2HD1  LEU  77          2HD1      LEU  77   6.570  -2.621  -0.301
  593   3HD1  LEU  77          3HD1      LEU  77   6.171  -3.256  -1.898
  594   1HD2  LEU  77          1HD2      LEU  77   8.691  -0.521  -2.285
  595   2HD2  LEU  77          2HD2      LEU  77   8.594  -2.082  -1.469
  596   3HD2  LEU  77          3HD2      LEU  77   8.284  -0.596  -0.570
  597    H    PHE  78           H        PHE  78   4.879   0.903  -5.369
  598    HA   PHE  78           HA       PHE  78   5.249  -0.564  -7.890
  599   1HB   PHE  78          1HB       PHE  78   2.988   1.383  -7.349
  600   2HB   PHE  78          2HB       PHE  78   3.297   0.565  -8.871
  601    HD1  PHE  78           HD1      PHE  78   3.312  -2.053  -8.760
  602    HD2  PHE  78           HD2      PHE  78   1.495   0.474  -5.859
  603    HE1  PHE  78           HE1      PHE  78   1.893  -3.923  -8.023
  604    HE2  PHE  78           HE2      PHE  78   0.073  -1.392  -5.119
  605    HZ   PHE  78           HZ       PHE  78   0.268  -3.591  -6.201
  606    H    LYS  79           H        LYS  79   6.674   0.495  -9.225
  607    HA   LYS  79           HA       LYS  79   7.114   3.373  -8.685
  608   1HB   LYS  79          1HB       LYS  79   8.967   1.219  -9.640
  609   2HB   LYS  79          2HB       LYS  79   9.298   2.899 -10.021
  610   1HG   LYS  79          1HG       LYS  79   8.923   1.839  -7.228
  611   2HG   LYS  79          2HG       LYS  79  10.485   2.081  -8.013
  612   1HD   LYS  79          1HD       LYS  79   8.428   4.209  -7.418
  613   2HD   LYS  79          2HD       LYS  79   9.962   3.966  -6.580
  614   1HE   LYS  79          1HE       LYS  79   9.608   4.732  -9.475
  615   2HE   LYS  79          2HE       LYS  79  10.149   5.787  -8.170
  616   1HZ   LYS  79          1HZ       LYS  79  11.910   3.805  -7.965
  617   2HZ   LYS  79          2HZ       LYS  79  12.165   5.181  -8.917
  618   3HZ   LYS  79          3HZ       LYS  79  11.611   3.750  -9.630
  619    H    ASN  80           H        ASN  80   6.801   4.857 -10.249
  620    HA   ASN  80           HA       ASN  80   5.874   5.704 -12.165
  621   1HB   ASN  80          1HB       ASN  80   7.942   3.829 -13.325
  622   2HB   ASN  80          2HB       ASN  80   7.198   5.175 -14.184
  623   1HD2  ASN  80          1HD2      ASN  80   8.437   6.885 -14.287
  624   2HD2  ASN  80          2HD2      ASN  80   9.576   7.402 -13.094
  625    H    GLY  81           H        GLY  81   3.903   4.317 -11.529
  626   1HA   GLY  81          1HA       GLY  81   2.121   3.036 -12.168
  627   2HA   GLY  81          2HA       GLY  81   2.621   3.425 -13.809
  628    H    LYS  82           H        LYS  82   4.842   1.698 -11.818
  629    HA   LYS  82           HA       LYS  82   4.074  -0.830 -13.105
  630   1HB   LYS  82          1HB       LYS  82   6.887   0.224 -12.742
  631   2HB   LYS  82          2HB       LYS  82   6.480  -1.379 -13.330
  632   1HG   LYS  82          1HG       LYS  82   5.385  -0.412 -15.273
  633   2HG   LYS  82          2HG       LYS  82   5.754   1.208 -14.681
  634   1HD   LYS  82          1HD       LYS  82   7.352   0.524 -16.390
  635   2HD   LYS  82          2HD       LYS  82   8.149   0.714 -14.827
  636   1HE   LYS  82          1HE       LYS  82   8.922  -1.298 -15.971
  637   2HE   LYS  82          2HE       LYS  82   8.067  -1.701 -14.483
  638   1HZ   LYS  82          1HZ       LYS  82   7.578  -2.868 -16.816
  639   2HZ   LYS  82          2HZ       LYS  82   6.449  -1.612 -16.893
  640   3HZ   LYS  82          3HZ       LYS  82   6.409  -2.703 -15.602
  641    H    GLU  83           H        GLU  83   6.120  -2.350 -11.864
  642    HA   GLU  83           HA       GLU  83   5.170  -2.289  -9.081
  643   1HB   GLU  83          1HB       GLU  83   4.561  -4.277 -10.428
  644   2HB   GLU  83          2HB       GLU  83   6.261  -4.585 -10.730
  645   1HG   GLU  83          1HG       GLU  83   6.649  -5.155  -8.465
  646   2HG   GLU  83          2HG       GLU  83   5.057  -4.571  -7.976
  647    H    VAL  84           H        VAL  84   6.912  -3.533  -7.628
  648    HA   VAL  84           HA       VAL  84   9.650  -3.108  -8.319
  649    HB   VAL  84           HB       VAL  84  10.091  -1.606  -6.323
  650   1HG1  VAL  84          1HG1      VAL  84   8.564   0.020  -8.241
  651   2HG1  VAL  84          2HG1      VAL  84   9.790  -1.048  -8.929
  652   3HG1  VAL  84          3HG1      VAL  84  10.244   0.148  -7.719
  653   1HG2  VAL  84          1HG2      VAL  84   7.204  -1.734  -6.230
  654   2HG2  VAL  84          2HG2      VAL  84   7.788  -0.075  -6.299
  655   3HG2  VAL  84          3HG2      VAL  84   8.348  -1.156  -5.023
  656    H    ALA  85           H        ALA  85   7.367  -3.544  -5.616
  657    HA   ALA  85           HA       ALA  85   8.615  -6.008  -4.887
  658   1HB   ALA  85          1HB       ALA  85  10.295  -4.626  -3.914
  659   2HB   ALA  85          2HB       ALA  85   9.315  -5.279  -2.604
  660   3HB   ALA  85          3HB       ALA  85   9.086  -3.612  -3.129
  661    H    LYS  86           H        LYS  86   7.633  -7.004  -2.986
  662    HA   LYS  86           HA       LYS  86   5.143  -5.851  -2.032
  663   1HB   LYS  86          1HB       LYS  86   3.846  -7.881  -2.623
  664   2HB   LYS  86          2HB       LYS  86   4.392  -6.986  -4.034
  665   1HG   LYS  86          1HG       LYS  86   6.232  -8.584  -4.321
  666   2HG   LYS  86          2HG       LYS  86   5.646  -9.491  -2.926
  667   1HD   LYS  86          1HD       LYS  86   4.107  -8.987  -5.473
  668   2HD   LYS  86          2HD       LYS  86   4.908 -10.498  -5.035
  669   1HE   LYS  86          1HE       LYS  86   3.455 -10.688  -3.069
  670   2HE   LYS  86          2HE       LYS  86   2.651  -9.187  -3.524
  671   1HZ   LYS  86          1HZ       LYS  86   2.376 -10.575  -5.768
  672   2HZ   LYS  86          2HZ       LYS  86   1.238 -10.612  -4.516
  673   3HZ   LYS  86          3HZ       LYS  86   2.382 -11.850  -4.653
  674    H    VAL  87           H        VAL  87   5.275  -6.075   0.098
  675    HA   VAL  87           HA       VAL  87   6.268  -8.626   1.180
  676    HB   VAL  87           HB       VAL  87   6.885  -5.905   2.338
  677   1HG1  VAL  87          1HG1      VAL  87   7.665  -6.920   4.169
  678   2HG1  VAL  87          2HG1      VAL  87   8.458  -8.189   3.235
  679   3HG1  VAL  87          3HG1      VAL  87   6.746  -8.327   3.633
  680   1HG2  VAL  87          1HG2      VAL  87   8.947  -7.754   1.221
  681   2HG2  VAL  87          2HG2      VAL  87   9.009  -6.006   1.446
  682   3HG2  VAL  87          3HG2      VAL  87   8.043  -6.693   0.140
  683    H    VAL  88           H        VAL  88   4.329  -9.461   1.796
  684    HA   VAL  88           HA       VAL  88   2.212  -8.008   2.939
  685    HB   VAL  88           HB       VAL  88   1.746 -10.151   1.969
  686   1HG1  VAL  88          1HG1      VAL  88   2.685 -12.102   3.680
  687   2HG1  VAL  88          2HG1      VAL  88   4.040 -10.980   3.568
  688   3HG1  VAL  88          3HG1      VAL  88   3.362 -11.691   2.105
  689   1HG2  VAL  88          1HG2      VAL  88   0.197  -9.658   3.677
  690   2HG2  VAL  88          2HG2      VAL  88   1.338 -10.076   4.953
  691   3HG2  VAL  88          3HG2      VAL  88   0.657 -11.340   3.931
  692    H    GLY  89           H        GLY  89   2.732  -6.737   4.638
  693   1HA   GLY  89          1HA       GLY  89   2.518  -7.213   7.171
  694   2HA   GLY  89          2HA       GLY  89   4.090  -7.966   6.938
  695    H    ALA  90           H        ALA  90   2.463  -5.102   7.644
  696    HA   ALA  90           HA       ALA  90   4.705  -3.396   6.861
  697   1HB   ALA  90          1HB       ALA  90   2.347  -2.287   8.282
  698   2HB   ALA  90          2HB       ALA  90   2.110  -2.894   6.644
  699   3HB   ALA  90          3HB       ALA  90   3.287  -1.615   6.949
  700    H    ASN  91           H        ASN  91   5.182  -5.297   8.910
  701    HA   ASN  91           HA       ASN  91   5.013  -4.096  11.473
  702   1HB   ASN  91          1HB       ASN  91   6.729  -6.351  10.421
  703   2HB   ASN  91          2HB       ASN  91   6.553  -5.926  12.112
  704   1HD2  ASN  91          1HD2      ASN  91   5.553  -8.009   9.837
  705   2HD2  ASN  91          2HD2      ASN  91   4.012  -8.451  10.482
  706    HA   PRO  92           HA       PRO  92   8.229  -1.028  11.183
  707   1HB   PRO  92          1HB       PRO  92   8.728  -2.010  13.969
  708   2HB   PRO  92          2HB       PRO  92   8.637  -0.351  13.364
  709   1HG   PRO  92          1HG       PRO  92   6.570  -1.384  14.643
  710   2HG   PRO  92          2HG       PRO  92   6.317  -0.406  13.184
  711   1HD   PRO  92          1HD       PRO  92   6.143  -3.364  13.535
  712   2HD   PRO  92          2HD       PRO  92   5.192  -2.292  12.486
  713    H    ALA  93           H        ALA  93   9.476  -2.333   9.673
  714    HA   ALA  93           HA       ALA  93  12.080  -2.860  10.512
  715   1HB   ALA  93          1HB       ALA  93  10.496  -4.899  11.370
  716   2HB   ALA  93          2HB       ALA  93  12.224  -5.034  11.047
  717   3HB   ALA  93          3HB       ALA  93  11.057  -5.517   9.818
  718    H    ALA  94           H        ALA  94   9.530  -3.680   8.200
  719    HA   ALA  94           HA       ALA  94  11.554  -3.515   6.070
  720   1HB   ALA  94          1HB       ALA  94   9.965  -4.977   4.738
  721   2HB   ALA  94          2HB       ALA  94   9.134  -5.283   6.264
  722   3HB   ALA  94          3HB       ALA  94  10.823  -5.753   6.068
  723    H    ILE  95           H        ILE  95   8.131  -2.887   6.821
  724    HA   ILE  95           HA       ILE  95   7.390  -1.595   4.511
  725    HB   ILE  95           HB       ILE  95   5.784  -2.031   6.243
  726   1HG1  ILE  95          1HG1      ILE  95   4.588   0.096   6.342
  727   2HG1  ILE  95          2HG1      ILE  95   6.056   0.962   5.903
  728   1HG2  ILE  95          1HG2      ILE  95   5.906  -0.275   8.238
  729   2HG2  ILE  95          2HG2      ILE  95   7.629  -0.411   7.885
  730   3HG2  ILE  95          3HG2      ILE  95   6.699  -1.850   8.303
  731   1HD1  ILE  95          1HD1      ILE  95   4.146  -0.495   4.229
  732   2HD1  ILE  95          2HD1      ILE  95   5.843  -0.760   3.831
  733   3HD1  ILE  95          3HD1      ILE  95   5.184   0.874   3.845
  734    H    LYS  96           H        LYS  96   9.746  -0.585   6.799
  735    HA   LYS  96           HA       LYS  96   9.600   2.207   5.958
  736   1HB   LYS  96          1HB       LYS  96  11.315   2.628   7.641
  737   2HB   LYS  96          2HB       LYS  96   9.964   1.746   8.337
  738   1HG   LYS  96          1HG       LYS  96  11.270  -0.339   8.143
  739   2HG   LYS  96          2HG       LYS  96  12.636   0.607   7.546
  740   1HD   LYS  96          1HD       LYS  96  12.601   1.913   9.647
  741   2HD   LYS  96          2HD       LYS  96  11.307   0.871  10.242
  742   1HE   LYS  96          1HE       LYS  96  13.423   0.132  11.140
  743   2HE   LYS  96          2HE       LYS  96  12.803  -1.074  10.013
  744   1HZ   LYS  96          1HZ       LYS  96  14.448   0.802   8.664
  745   2HZ   LYS  96          2HZ       LYS  96  14.619  -0.876   8.783
  746   3HZ   LYS  96          3HZ       LYS  96  15.286   0.125   9.969
  747    H    GLN  97           H        GLN  97  11.980  -0.437   5.973
  748    HA   GLN  97           HA       GLN  97  13.878   0.976   4.401
  749   1HB   GLN  97          1HB       GLN  97  13.604  -2.011   4.795
  750   2HB   GLN  97          2HB       GLN  97  15.030  -1.169   4.205
  751   1HG   GLN  97          1HG       GLN  97  15.229  -0.029   6.371
  752   2HG   GLN  97          2HG       GLN  97  13.829  -0.928   6.955
  753   1HE2  GLN  97          1HE2      GLN  97  14.279  -2.671   8.084
  754   2HE2  GLN  97          2HE2      GLN  97  15.717  -3.621   7.969
  755    H    ALA  98           H        ALA  98  11.182  -1.127   3.691
  756    HA   ALA  98           HA       ALA  98  11.800  -1.742   1.018
  757   1HB   ALA  98          1HB       ALA  98   8.974  -1.374   1.928
  758   2HB   ALA  98          2HB       ALA  98   9.954  -2.685   2.584
  759   3HB   ALA  98          3HB       ALA  98   9.655  -2.593   0.849
  760    H    ILE  99           H        ILE  99  10.482   1.096   2.518
  761    HA   ILE  99           HA       ILE  99   9.676   2.274  -0.014
  762    HB   ILE  99           HB       ILE  99   9.622   3.442   2.773
  763   1HG1  ILE  99          1HG1      ILE  99   7.427   2.174   1.118
  764   2HG1  ILE  99          2HG1      ILE  99   8.181   1.466   2.543
  765   1HG2  ILE  99          1HG2      ILE  99   7.945   5.003   1.705
  766   2HG2  ILE  99          2HG2      ILE  99   8.503   4.399   0.146
  767   3HG2  ILE  99          3HG2      ILE  99   9.624   5.233   1.221
  768   1HD1  ILE  99          1HD1      ILE  99   7.282   3.223   3.930
  769   2HD1  ILE  99          2HD1      ILE  99   5.987   2.452   3.012
  770   3HD1  ILE  99          3HD1      ILE  99   6.607   4.024   2.513
  771    H    ALA 100           H        ALA 100  12.523   2.008   1.738
  772    HA   ALA 100           HA       ALA 100  13.549   4.636   1.037
  773   1HB   ALA 100          1HB       ALA 100  14.415   2.425   2.794
  774   2HB   ALA 100          2HB       ALA 100  14.460   4.168   3.054
  775   3HB   ALA 100          3HB       ALA 100  15.692   3.393   2.058
  776    H    ALA 101           H        ALA 101  14.912   1.364   0.661
  777    HA   ALA 101           HA       ALA 101  16.700   1.957  -1.361
  778   1HB   ALA 101          1HB       ALA 101  16.361  -0.548  -1.962
  779   2HB   ALA 101          2HB       ALA 101  15.327  -0.564  -0.533
  780   3HB   ALA 101          3HB       ALA 101  17.025  -0.112  -0.388
  781    H    ASN 102           H        ASN 102  13.259   1.380  -1.556
  782    HA   ASN 102           HA       ASN 102  13.236   1.055  -4.408
  783   1HB   ASN 102          1HB       ASN 102  11.052   1.450  -2.356
  784   2HB   ASN 102          2HB       ASN 102  10.761   1.176  -4.074
  785   1HD2  ASN 102          1HD2      ASN 102  10.242  -0.830  -4.514
  786   2HD2  ASN 102          2HD2      ASN 102  10.823  -2.240  -3.706
  787    H    ALA 103           H        ALA 103  12.081   3.556  -2.141
  788    HA   ALA 103           HA       ALA 103  11.923   5.450  -4.377
  789   1HB   ALA 103          1HB       ALA 103  10.002   5.979  -3.385
  790   2HB   ALA 103          2HB       ALA 103  10.961   6.730  -2.108
  791   3HB   ALA 103          3HB       ALA 103  10.416   5.062  -1.938
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -1.239  12.090   2.505
    2   2H    MET   1          2H        MET   1  -0.641  11.625   4.045
    3   3H    MET   1          3H        MET   1  -0.809  13.287   3.654
    4    HA   MET   1           HA       MET   1  -2.559  12.719   5.055
    5   1HB   MET   1          1HB       MET   1  -4.454  13.233   3.584
    6   2HB   MET   1          2HB       MET   1  -3.052  14.211   3.177
    7   1HG   MET   1          1HG       MET   1  -2.564  12.763   1.291
    8   2HG   MET   1          2HG       MET   1  -3.927  11.729   1.714
    9   1HE   MET   1          1HE       MET   1  -4.005  13.619  -1.556
   10   2HE   MET   1          2HE       MET   1  -5.505  12.749  -1.233
   11   3HE   MET   1          3HE       MET   1  -3.959  12.048  -0.754
   12    H    VAL   2           H        VAL   2  -1.702  10.241   2.889
   13    HA   VAL   2           HA       VAL   2  -2.328   8.091   2.576
   14    HB   VAL   2           HB       VAL   2  -1.609   8.013   4.943
   15   1HG1  VAL   2          1HG1      VAL   2  -4.511   8.551   5.445
   16   2HG1  VAL   2          2HG1      VAL   2  -3.093   9.316   6.162
   17   3HG1  VAL   2          3HG1      VAL   2  -3.531   7.669   6.615
   18   1HG2  VAL   2          1HG2      VAL   2  -3.896   6.131   4.419
   19   2HG2  VAL   2          2HG2      VAL   2  -2.451   5.838   5.388
   20   3HG2  VAL   2          3HG2      VAL   2  -2.319   6.006   3.638
   21    H    THR   3           H        THR   3  -3.943   7.040   1.599
   22    HA   THR   3           HA       THR   3  -6.703   7.500   2.388
   23    HB   THR   3           HB       THR   3  -5.706   8.154  -0.392
   24    HG1  THR   3           HG1      THR   3  -6.838   9.789   1.629
   25   1HG2  THR   3          1HG2      THR   3  -8.499   8.174   0.720
   26   2HG2  THR   3          2HG2      THR   3  -7.880   7.188  -0.606
   27   3HG2  THR   3          3HG2      THR   3  -8.017   8.936  -0.795
   28    H    GLN   4           H        GLN   4  -8.219   6.077   1.212
   29    HA   GLN   4           HA       GLN   4  -6.945   3.495   0.623
   30   1HB   GLN   4          1HB       GLN   4  -9.854   4.099   1.184
   31   2HB   GLN   4          2HB       GLN   4  -9.108   2.509   1.103
   32   1HG   GLN   4          1HG       GLN   4  -7.800   2.992   3.083
   33   2HG   GLN   4          2HG       GLN   4  -8.469   4.620   3.152
   34   1HE2  GLN   4          1HE2      GLN   4  -9.972   4.838   4.627
   35   2HE2  GLN   4          2HE2      GLN   4 -11.105   3.632   5.125
   36    H    PHE   5           H        PHE   5  -8.505   2.140  -0.939
   37    HA   PHE   5           HA       PHE   5  -9.283   3.846  -3.201
   38   1HB   PHE   5          1HB       PHE   5  -7.545   1.380  -3.341
   39   2HB   PHE   5          2HB       PHE   5  -8.334   2.102  -4.750
   40    HD1  PHE   5           HD1      PHE   5  -7.936   5.006  -3.922
   41    HD2  PHE   5           HD2      PHE   5  -5.306   1.653  -4.002
   42    HE1  PHE   5           HE1      PHE   5  -6.025   6.520  -4.265
   43    HE2  PHE   5           HE2      PHE   5  -3.397   3.168  -4.348
   44    HZ   PHE   5           HZ       PHE   5  -3.754   5.599  -4.478
   45    H    LYS   6           H        LYS   6 -11.456   3.570  -3.026
   46    HA   LYS   6           HA       LYS   6 -12.589   0.930  -2.648
   47   1HB   LYS   6          1HB       LYS   6 -13.842   3.647  -3.073
   48   2HB   LYS   6          2HB       LYS   6 -14.778   2.168  -2.906
   49   1HG   LYS   6          1HG       LYS   6 -12.892   3.285  -0.841
   50   2HG   LYS   6          2HG       LYS   6 -14.652   3.415  -0.810
   51   1HD   LYS   6          1HD       LYS   6 -14.817   0.962  -0.737
   52   2HD   LYS   6          2HD       LYS   6 -13.056   0.855  -0.731
   53   1HE   LYS   6          1HE       LYS   6 -14.762   2.180   1.375
   54   2HE   LYS   6          2HE       LYS   6 -13.962   0.617   1.523
   55   1HZ   LYS   6          1HZ       LYS   6 -12.226   1.712   2.325
   56   2HZ   LYS   6          2HZ       LYS   6 -12.907   3.216   1.956
   57   3HZ   LYS   6          3HZ       LYS   6 -11.988   2.397   0.796
   58    H    THR   7           H        THR   7 -11.914   3.137  -5.247
   59    HA   THR   7           HA       THR   7 -13.084   1.204  -7.138
   60    HB   THR   7           HB       THR   7 -13.495   3.101  -8.677
   61    HG1  THR   7           HG1      THR   7 -12.938   5.075  -8.175
   62   1HG2  THR   7          1HG2      THR   7 -14.901   2.710  -6.173
   63   2HG2  THR   7          2HG2      THR   7 -15.528   2.953  -7.804
   64   3HG2  THR   7          3HG2      THR   7 -15.083   4.343  -6.813
   65    H    ALA   8           H        ALA   8 -11.622   0.272  -8.402
   66    HA   ALA   8           HA       ALA   8  -8.909   0.717  -8.285
   67   1HB   ALA   8          1HB       ALA   8  -9.393  -1.319  -9.206
   68   2HB   ALA   8          2HB       ALA   8  -8.988  -0.416 -10.667
   69   3HB   ALA   8          3HB       ALA   8 -10.677  -0.674 -10.229
   70    H    SER   9           H        SER   9 -11.271   2.419 -10.159
   71    HA   SER   9           HA       SER   9  -9.620   3.519 -12.136
   72   1HB   SER   9          1HB       SER   9 -12.064   3.712 -12.209
   73   2HB   SER   9          2HB       SER   9 -12.037   4.745 -10.778
   74    HG   SER   9           HG       SER   9 -10.992   5.307 -13.351
   75    H    GLU  10           H        GLU  10  -9.751   4.071  -8.751
   76    HA   GLU  10           HA       GLU  10  -8.449   6.647  -8.919
   77   1HB   GLU  10          1HB       GLU  10  -9.292   5.005  -6.535
   78   2HB   GLU  10          2HB       GLU  10  -8.566   6.603  -6.438
   79   1HG   GLU  10          1HG       GLU  10 -10.456   7.549  -7.641
   80   2HG   GLU  10          2HG       GLU  10 -11.180   5.949  -7.778
   81    H    PHE  11           H        PHE  11  -7.708   3.338  -8.234
   82    HA   PHE  11           HA       PHE  11  -5.069   3.919  -7.241
   83   1HB   PHE  11          1HB       PHE  11  -6.557   2.008  -6.452
   84   2HB   PHE  11          2HB       PHE  11  -6.169   1.210  -7.970
   85    HD1  PHE  11           HD1      PHE  11  -5.519  -0.459  -5.990
   86    HD2  PHE  11           HD2      PHE  11  -3.331   3.026  -7.087
   87    HE1  PHE  11           HE1      PHE  11  -3.500  -1.400  -4.949
   88    HE2  PHE  11           HE2      PHE  11  -1.310   2.086  -6.050
   89    HZ   PHE  11           HZ       PHE  11  -1.396  -0.126  -4.977
   90    H    ASP  12           H        ASP  12  -6.210   4.204 -10.212
   91    HA   ASP  12           HA       ASP  12  -4.215   2.662 -11.645
   92   1HB   ASP  12          1HB       ASP  12  -6.473   2.867 -12.585
   93   2HB   ASP  12          2HB       ASP  12  -6.294   4.617 -12.652
   94    H    SER  13           H        SER  13  -5.130   6.112 -11.567
   95    HA   SER  13           HA       SER  13  -2.730   6.995 -12.780
   96   1HB   SER  13          1HB       SER  13  -4.776   8.335 -12.849
   97   2HB   SER  13          2HB       SER  13  -4.725   8.529 -11.097
   98    HG   SER  13           HG       SER  13  -3.750  10.320 -11.805
   99    H    ALA  14           H        ALA  14  -3.443   6.015  -9.588
  100    HA   ALA  14           HA       ALA  14  -1.660   7.630  -8.126
  101   1HB   ALA  14          1HB       ALA  14  -3.044   6.549  -6.693
  102   2HB   ALA  14          2HB       ALA  14  -1.690   5.421  -6.632
  103   3HB   ALA  14          3HB       ALA  14  -3.080   5.076  -7.662
  104    H    ILE  15           H        ILE  15  -1.208   4.582  -9.854
  105    HA   ILE  15           HA       ILE  15   1.566   4.422  -9.003
  106    HB   ILE  15           HB       ILE  15   1.666   2.331 -10.261
  107   1HG1  ILE  15          1HG1      ILE  15  -1.210   2.953 -10.974
  108   2HG1  ILE  15          2HG1      ILE  15   0.145   2.844 -12.093
  109   1HG2  ILE  15          1HG2      ILE  15   0.990   1.480  -8.330
  110   2HG2  ILE  15          2HG2      ILE  15  -0.667   1.525  -8.931
  111   3HG2  ILE  15          3HG2      ILE  15  -0.024   2.887  -8.014
  112   1HD1  ILE  15          1HD1      ILE  15  -1.188   0.851 -12.225
  113   2HD1  ILE  15          2HD1      ILE  15  -1.032   0.592 -10.487
  114   3HD1  ILE  15          3HD1      ILE  15   0.386   0.465 -11.528
  115    H    ALA  16           H        ALA  16  -0.195   4.743 -12.087
  116    HA   ALA  16           HA       ALA  16   1.882   4.857 -13.850
  117   1HB   ALA  16          1HB       ALA  16  -0.807   6.078 -13.773
  118   2HB   ALA  16          2HB       ALA  16  -0.077   5.009 -14.971
  119   3HB   ALA  16          3HB       ALA  16   0.325   6.726 -14.958
  120    H    GLN  17           H        GLN  17   3.756   5.858 -13.457
  121    HA   GLN  17           HA       GLN  17   5.269   7.473 -12.877
  122   1HB   GLN  17          1HB       GLN  17   3.311   9.035 -14.563
  123   2HB   GLN  17          2HB       GLN  17   4.897   9.632 -14.095
  124   1HG   GLN  17          1HG       GLN  17   5.952   7.770 -15.265
  125   2HG   GLN  17          2HG       GLN  17   4.358   7.163 -15.732
  126   1HE2  GLN  17          1HE2      GLN  17   3.929   7.577 -17.760
  127   2HE2  GLN  17          2HE2      GLN  17   4.355   9.007 -18.633
  128    H    ASP  18           H        ASP  18   4.950   7.537 -10.637
  129    HA   ASP  18           HA       ASP  18   4.221  10.077  -9.624
  130   1HB   ASP  18          1HB       ASP  18   1.956   9.149  -9.915
  131   2HB   ASP  18          2HB       ASP  18   2.393   7.780  -8.897
  132    H    LYS  19           H        LYS  19   6.530   8.496  -9.506
  133    HA   LYS  19           HA       LYS  19   8.142   7.863  -8.031
  134   1HB   LYS  19          1HB       LYS  19   6.206   9.066  -6.063
  135   2HB   LYS  19          2HB       LYS  19   7.851   8.604  -5.666
  136   1HG   LYS  19          1HG       LYS  19   7.858  10.937  -6.009
  137   2HG   LYS  19          2HG       LYS  19   8.624  10.213  -7.423
  138   1HD   LYS  19          1HD       LYS  19   6.613  10.494  -8.718
  139   2HD   LYS  19          2HD       LYS  19   5.731  11.059  -7.297
  140   1HE   LYS  19          1HE       LYS  19   8.085  12.433  -8.590
  141   2HE   LYS  19          2HE       LYS  19   6.396  12.914  -8.748
  142   1HZ   LYS  19          1HZ       LYS  19   7.329  14.289  -7.104
  143   2HZ   LYS  19          2HZ       LYS  19   8.087  12.998  -6.319
  144   3HZ   LYS  19          3HZ       LYS  19   6.404  13.152  -6.259
  145    H    LEU  20           H        LEU  20   7.783   6.860  -5.371
  146    HA   LEU  20           HA       LEU  20   6.705   4.238  -6.060
  147   1HB   LEU  20          1HB       LEU  20   8.946   4.140  -5.282
  148   2HB   LEU  20          2HB       LEU  20   8.595   5.202  -3.921
  149    HG   LEU  20           HG       LEU  20   7.304   2.497  -4.131
  150   1HD1  LEU  20          1HD1      LEU  20   9.655   2.702  -2.402
  151   2HD1  LEU  20          2HD1      LEU  20  10.019   2.763  -4.125
  152   3HD1  LEU  20          3HD1      LEU  20   9.134   1.390  -3.459
  153   1HD2  LEU  20          1HD2      LEU  20   6.278   3.550  -2.397
  154   2HD2  LEU  20          2HD2      LEU  20   7.654   4.607  -2.084
  155   3HD2  LEU  20          3HD2      LEU  20   7.687   2.931  -1.536
  156    H    VAL  21           H        VAL  21   4.723   3.791  -5.474
  157    HA   VAL  21           HA       VAL  21   3.561   5.124  -3.130
  158    HB   VAL  21           HB       VAL  21   2.151   3.649  -5.360
  159   1HG1  VAL  21          1HG1      VAL  21   1.014   3.769  -3.109
  160   2HG1  VAL  21          2HG1      VAL  21   0.117   4.459  -4.462
  161   3HG1  VAL  21          3HG1      VAL  21   0.955   5.517  -3.327
  162   1HG2  VAL  21          1HG2      VAL  21   2.763   5.481  -6.529
  163   2HG2  VAL  21          2HG2      VAL  21   3.053   6.443  -5.079
  164   3HG2  VAL  21          3HG2      VAL  21   1.407   6.214  -5.670
  165    H    VAL  22           H        VAL  22   3.124   3.996  -1.344
  166    HA   VAL  22           HA       VAL  22   3.361   1.068  -1.455
  167    HB   VAL  22           HB       VAL  22   3.500   2.888   0.956
  168   1HG1  VAL  22          1HG1      VAL  22   3.461   1.078   2.253
  169   2HG1  VAL  22          2HG1      VAL  22   4.651   0.250   1.249
  170   3HG1  VAL  22          3HG1      VAL  22   2.939   0.165   0.837
  171   1HG2  VAL  22          1HG2      VAL  22   5.674   3.168   0.575
  172   2HG2  VAL  22          2HG2      VAL  22   5.419   2.466  -1.020
  173   3HG2  VAL  22          3HG2      VAL  22   5.914   1.440   0.324
  174    H    VAL  23           H        VAL  23   1.319   0.443  -2.035
  175    HA   VAL  23           HA       VAL  23  -0.932   1.417  -0.435
  176    HB   VAL  23           HB       VAL  23  -0.999  -0.294  -2.922
  177   1HG1  VAL  23          1HG1      VAL  23  -3.215   1.303  -1.652
  178   2HG1  VAL  23          2HG1      VAL  23  -2.966  -0.422  -1.381
  179   3HG1  VAL  23          3HG1      VAL  23  -3.338   0.172  -3.000
  180   1HG2  VAL  23          1HG2      VAL  23  -2.009   2.306  -3.391
  181   2HG2  VAL  23          2HG2      VAL  23  -0.595   1.539  -4.108
  182   3HG2  VAL  23          3HG2      VAL  23  -0.431   2.483  -2.629
  183    H    ASP  24           H        ASP  24  -2.085   0.141   0.903
  184    HA   ASP  24           HA       ASP  24  -1.041  -2.551   1.380
  185   1HB   ASP  24          1HB       ASP  24  -1.082  -0.994   3.293
  186   2HB   ASP  24          2HB       ASP  24  -2.834  -0.826   3.108
  187    H    PHE  25           H        PHE  25  -2.202  -4.322   0.881
  188    HA   PHE  25           HA       PHE  25  -4.927  -3.958  -0.093
  189   1HB   PHE  25          1HB       PHE  25  -2.840  -6.108  -0.425
  190   2HB   PHE  25          2HB       PHE  25  -4.517  -6.357  -0.903
  191    HD1  PHE  25           HD1      PHE  25  -2.061  -3.556  -1.339
  192    HD2  PHE  25           HD2      PHE  25  -4.787  -6.281  -3.136
  193    HE1  PHE  25           HE1      PHE  25  -1.538  -2.607  -3.549
  194    HE2  PHE  25           HE2      PHE  25  -4.289  -5.325  -5.341
  195    HZ   PHE  25           HZ       PHE  25  -2.668  -3.483  -5.555
  196    H    TYR  26           H        TYR  26  -4.835  -3.740   2.594
  197    HA   TYR  26           HA       TYR  26  -4.970  -6.002   4.162
  198   1HB   TYR  26          1HB       TYR  26  -6.613  -4.631   5.567
  199   2HB   TYR  26          2HB       TYR  26  -5.026  -3.931   5.278
  200    HD1  TYR  26           HD1      TYR  26  -8.300  -3.972   3.440
  201    HD2  TYR  26           HD2      TYR  26  -5.078  -1.637   4.954
  202    HE1  TYR  26           HE1      TYR  26  -9.348  -1.944   2.547
  203    HE2  TYR  26           HE2      TYR  26  -6.131   0.376   4.112
  204    HH   TYR  26           HH       TYR  26  -7.790   0.921   2.174
  205    H    ALA  27           H        ALA  27  -6.456  -7.575   4.572
  206    HA   ALA  27           HA       ALA  27  -8.322  -8.246   2.607
  207   1HB   ALA  27          1HB       ALA  27  -9.271  -9.741   4.524
  208   2HB   ALA  27          2HB       ALA  27  -7.836  -9.197   5.392
  209   3HB   ALA  27          3HB       ALA  27  -7.667 -10.058   3.862
  210    H    THR  28           H        THR  28 -10.680  -8.576   2.965
  211    HA   THR  28           HA       THR  28 -11.810  -6.124   4.083
  212    HB   THR  28           HB       THR  28 -12.423  -6.483   1.804
  213    HG1  THR  28           HG1      THR  28 -14.738  -6.782   2.065
  214   1HG2  THR  28          1HG2      THR  28 -13.464  -9.190   2.609
  215   2HG2  THR  28          2HG2      THR  28 -12.039  -8.884   1.619
  216   3HG2  THR  28          3HG2      THR  28 -13.639  -8.438   1.024
  217    H    TRP  29           H        TRP  29 -11.034  -8.700   5.551
  218    HA   TRP  29           HA       TRP  29 -13.526  -8.931   7.064
  219   1HB   TRP  29          1HB       TRP  29 -12.987 -11.456   7.220
  220   2HB   TRP  29          2HB       TRP  29 -13.728 -10.839   5.734
  221    HD1  TRP  29           HD1      TRP  29 -12.137 -10.646   3.561
  222    HE1  TRP  29           HE1      TRP  29  -9.979 -11.893   2.924
  223    HE3  TRP  29           HE3      TRP  29 -10.877 -12.485   8.161
  224    HZ2  TRP  29           HZ2      TRP  29  -8.000 -13.434   4.199
  225    HZ3  TRP  29           HZ3      TRP  29  -8.828 -13.827   8.370
  226    HH2  TRP  29           HH2      TRP  29  -7.419 -14.297   6.428
  227    H    CYS  30           H        CYS  30 -10.042  -9.571   6.926
  228    HA   CYS  30           HA       CYS  30  -9.384 -10.579   9.311
  229   1HB   CYS  30          1HB       CYS  30  -7.747  -9.769   7.623
  230   2HB   CYS  30          2HB       CYS  30  -8.028  -8.120   8.184
  231    HG   CYS  30           HG       CYS  30  -6.349 -10.242   9.618
  232    H    GLY  31           H        GLY  31  -9.470  -7.020   9.001
  233   1HA   GLY  31          1HA       GLY  31 -10.901  -5.724  10.508
  234   2HA   GLY  31          2HA       GLY  31 -10.562  -6.925  11.746
  235    HA   PRO  32           HA       PRO  32  -7.161  -4.765  13.502
  236   1HB   PRO  32          1HB       PRO  32  -5.340  -6.925  12.531
  237   2HB   PRO  32          2HB       PRO  32  -5.493  -6.226  14.147
  238   1HG   PRO  32          1HG       PRO  32  -6.535  -8.612  13.605
  239   2HG   PRO  32          2HG       PRO  32  -7.390  -7.462  14.650
  240   1HD   PRO  32          1HD       PRO  32  -7.949  -8.236  11.829
  241   2HD   PRO  32          2HD       PRO  32  -9.075  -7.767  13.117
  242    H    CYS  33           H        CYS  33  -6.788  -5.979  10.237
  243    HA   CYS  33           HA       CYS  33  -4.499  -4.589   9.451
  244   1HB   CYS  33          1HB       CYS  33  -6.932  -5.368   7.829
  245   2HB   CYS  33          2HB       CYS  33  -5.408  -4.796   7.140
  246    HG   CYS  33           HG       CYS  33  -4.972  -7.227   7.062
  247    H    LYS  34           H        LYS  34  -7.673  -3.431  10.138
  248    HA   LYS  34           HA       LYS  34  -7.513  -1.046   8.563
  249   1HB   LYS  34          1HB       LYS  34  -9.677  -2.008   9.191
  250   2HB   LYS  34          2HB       LYS  34  -9.316  -1.742  10.890
  251   1HG   LYS  34          1HG       LYS  34 -10.832  -0.048  10.039
  252   2HG   LYS  34          2HG       LYS  34  -9.291   0.666  10.520
  253   1HD   LYS  34          1HD       LYS  34  -8.573   0.684   8.178
  254   2HD   LYS  34          2HD       LYS  34 -10.115  -0.029   7.701
  255   1HE   LYS  34          1HE       LYS  34 -10.104   2.382   7.328
  256   2HE   LYS  34          2HE       LYS  34 -11.293   1.931   8.550
  257   1HZ   LYS  34          1HZ       LYS  34  -8.634   2.648   9.504
  258   2HZ   LYS  34          2HZ       LYS  34 -10.150   2.975  10.178
  259   3HZ   LYS  34          3HZ       LYS  34  -9.581   3.908   8.887
  260    H    MET  35           H        MET  35  -6.251  -2.003  11.600
  261    HA   MET  35           HA       MET  35  -6.067   0.619  12.754
  262   1HB   MET  35          1HB       MET  35  -4.582  -1.931  13.413
  263   2HB   MET  35          2HB       MET  35  -4.571  -0.470  14.392
  264   1HG   MET  35          1HG       MET  35  -6.980  -0.694  14.749
  265   2HG   MET  35          2HG       MET  35  -6.981  -2.164  13.777
  266   1HE   MET  35          1HE       MET  35  -5.042  -0.385  16.343
  267   2HE   MET  35          2HE       MET  35  -4.064  -1.685  17.020
  268   3HE   MET  35          3HE       MET  35  -5.547  -1.183  17.832
  269    H    ILE  36           H        ILE  36  -4.693  -0.537  10.083
  270    HA   ILE  36           HA       ILE  36  -1.967   0.332  10.470
  271    HB   ILE  36           HB       ILE  36  -3.376  -0.509   7.939
  272   1HG1  ILE  36          1HG1      ILE  36  -1.678  -2.159   9.823
  273   2HG1  ILE  36          2HG1      ILE  36  -3.432  -2.257   9.697
  274   1HG2  ILE  36          1HG2      ILE  36  -0.816   0.589   8.418
  275   2HG2  ILE  36          2HG2      ILE  36  -1.493  -0.009   6.906
  276   3HG2  ILE  36          3HG2      ILE  36  -0.603  -1.102   7.963
  277   1HD1  ILE  36          1HD1      ILE  36  -1.362  -3.418   8.014
  278   2HD1  ILE  36          2HD1      ILE  36  -2.644  -2.613   7.109
  279   3HD1  ILE  36          3HD1      ILE  36  -3.043  -3.899   8.248
  280    H    ALA  37           H        ALA  37  -4.937   1.728   9.496
  281    HA   ALA  37           HA       ALA  37  -4.252   3.621   7.623
  282   1HB   ALA  37          1HB       ALA  37  -6.536   3.123   8.604
  283   2HB   ALA  37          2HB       ALA  37  -6.180   4.816   8.262
  284   3HB   ALA  37          3HB       ALA  37  -6.100   4.215   9.917
  285    HA   PRO  38           HA       PRO  38  -2.843   6.585  11.175
  286   1HB   PRO  38          1HB       PRO  38  -1.818   5.377  13.402
  287   2HB   PRO  38          2HB       PRO  38  -3.494   5.931  13.269
  288   1HG   PRO  38          1HG       PRO  38  -2.378   3.182  13.021
  289   2HG   PRO  38          2HG       PRO  38  -3.913   3.715  13.724
  290   1HD   PRO  38          1HD       PRO  38  -3.671   2.589  11.250
  291   2HD   PRO  38          2HD       PRO  38  -4.980   3.682  11.696
  292    H    MET  39           H        MET  39  -1.190   3.424  11.136
  293    HA   MET  39           HA       MET  39   1.421   4.410  11.244
  294   1HB   MET  39          1HB       MET  39   0.214   1.881  10.130
  295   2HB   MET  39          2HB       MET  39   1.935   2.176  10.165
  296   1HG   MET  39          1HG       MET  39   0.148   2.132  12.569
  297   2HG   MET  39          2HG       MET  39   1.176   0.799  12.043
  298   1HE   MET  39          1HE       MET  39   1.638   0.857  14.451
  299   2HE   MET  39          2HE       MET  39   1.708   2.419  15.267
  300   3HE   MET  39          3HE       MET  39   3.188   1.497  14.998
  301    H    ILE  40           H        ILE  40  -0.389   3.162   8.432
  302    HA   ILE  40           HA       ILE  40   1.298   3.819   6.398
  303    HB   ILE  40           HB       ILE  40  -1.720   4.105   6.406
  304   1HG1  ILE  40          1HG1      ILE  40   0.093   1.831   5.575
  305   2HG1  ILE  40          2HG1      ILE  40  -0.971   1.869   6.974
  306   1HG2  ILE  40          1HG2      ILE  40   0.093   3.785   4.014
  307   2HG2  ILE  40          2HG2      ILE  40  -0.591   5.325   4.533
  308   3HG2  ILE  40          3HG2      ILE  40  -1.654   4.021   4.009
  309   1HD1  ILE  40          1HD1      ILE  40  -1.859   0.548   5.081
  310   2HD1  ILE  40          2HD1      ILE  40  -1.914   2.026   4.124
  311   3HD1  ILE  40          3HD1      ILE  40  -2.918   1.873   5.565
  312    H    GLU  41           H        GLU  41  -0.609   5.987   8.336
  313    HA   GLU  41           HA       GLU  41  -0.230   8.272   6.621
  314   1HB   GLU  41          1HB       GLU  41  -2.235   7.949   8.067
  315   2HB   GLU  41          2HB       GLU  41  -1.207   8.140   9.479
  316   1HG   GLU  41          1HG       GLU  41  -1.588  10.241   7.353
  317   2HG   GLU  41          2HG       GLU  41  -2.492  10.171   8.864
  318    H    LYS  42           H        LYS  42   1.183   6.981   9.583
  319    HA   LYS  42           HA       LYS  42   2.810   9.252  10.129
  320   1HB   LYS  42          1HB       LYS  42   2.974   6.394  11.090
  321   2HB   LYS  42          2HB       LYS  42   4.009   7.685  11.680
  322   1HG   LYS  42          1HG       LYS  42   2.066   8.880  12.510
  323   2HG   LYS  42          2HG       LYS  42   1.012   7.606  11.892
  324   1HD   LYS  42          1HD       LYS  42   2.114   5.986  13.361
  325   2HD   LYS  42          2HD       LYS  42   3.163   7.264  13.980
  326   1HE   LYS  42          1HE       LYS  42   1.210   8.462  14.812
  327   2HE   LYS  42          2HE       LYS  42   0.162   7.190  14.189
  328   1HZ   LYS  42          1HZ       LYS  42   0.890   5.696  15.780
  329   2HZ   LYS  42          2HZ       LYS  42   0.832   7.143  16.654
  330   3HZ   LYS  42          3HZ       LYS  42   2.316   6.550  16.099
  331    H    PHE  43           H        PHE  43   3.242   6.359   8.189
  332    HA   PHE  43           HA       PHE  43   6.065   6.651   7.944
  333   1HB   PHE  43          1HB       PHE  43   4.073   5.045   6.357
  334   2HB   PHE  43          2HB       PHE  43   5.797   5.045   6.006
  335    HD1  PHE  43           HD1      PHE  43   3.501   4.565   8.903
  336    HD2  PHE  43           HD2      PHE  43   7.083   3.393   6.928
  337    HE1  PHE  43           HE1      PHE  43   3.845   2.804  10.586
  338    HE2  PHE  43           HE2      PHE  43   7.433   1.625   8.605
  339    HZ   PHE  43           HZ       PHE  43   5.813   1.329  10.436
  340    H    SER  44           H        SER  44   3.340   7.984   6.291
  341    HA   SER  44           HA       SER  44   4.668   8.750   3.908
  342   1HB   SER  44          1HB       SER  44   2.763  10.271   3.560
  343   2HB   SER  44          2HB       SER  44   2.213   8.666   4.071
  344    HG   SER  44           HG       SER  44   1.398  10.762   5.140
  345    H    GLU  45           H        GLU  45   5.076   9.818   7.070
  346    HA   GLU  45           HA       GLU  45   5.736  12.559   6.388
  347   1HB   GLU  45          1HB       GLU  45   6.006  11.053   8.996
  348   2HB   GLU  45          2HB       GLU  45   6.284  12.777   8.785
  349   1HG   GLU  45          1HG       GLU  45   3.948  13.075   8.140
  350   2HG   GLU  45          2HG       GLU  45   3.671  11.347   8.350
  351    H    GLN  46           H        GLN  46   7.348   9.516   6.844
  352    HA   GLN  46           HA       GLN  46   9.973  10.760   7.015
  353   1HB   GLN  46          1HB       GLN  46   9.153   7.854   6.980
  354   2HB   GLN  46          2HB       GLN  46  10.799   8.435   7.201
  355   1HG   GLN  46          1HG       GLN  46  10.121   9.586   9.237
  356   2HG   GLN  46          2HG       GLN  46   8.471   9.005   9.017
  357   1HE2  GLN  46          1HE2      GLN  46   7.984   7.350  10.246
  358   2HE2  GLN  46          2HE2      GLN  46   9.077   6.097  10.768
  359    H    TYR  47           H        TYR  47   7.969   9.075   4.692
  360    HA   TYR  47           HA       TYR  47  10.083   9.482   2.677
  361   1HB   TYR  47          1HB       TYR  47   8.037   7.260   2.775
  362   2HB   TYR  47          2HB       TYR  47   9.232   7.498   1.505
  363    HD1  TYR  47           HD1      TYR  47  11.728   7.524   2.288
  364    HD2  TYR  47           HD2      TYR  47   8.530   5.882   4.555
  365    HE1  TYR  47           HE1      TYR  47  13.338   6.165   3.555
  366    HE2  TYR  47           HE2      TYR  47  10.131   4.501   5.826
  367    HH   TYR  47           HH       TYR  47  12.287   3.726   5.851
  368    HA   PRO  48           HA       PRO  48   5.865  11.870   2.039
  369   1HB   PRO  48          1HB       PRO  48   8.089  13.743   1.337
  370   2HB   PRO  48          2HB       PRO  48   6.502  14.100   2.029
  371   1HG   PRO  48          1HG       PRO  48   8.717  13.986   3.549
  372   2HG   PRO  48          2HG       PRO  48   7.133  13.472   4.152
  373   1HD   PRO  48          1HD       PRO  48   9.495  11.847   3.498
  374   2HD   PRO  48          2HD       PRO  48   8.074  11.432   4.480
  375    H    GLN  49           H        GLN  49   8.835  11.402   0.238
  376    HA   GLN  49           HA       GLN  49   7.913  12.171  -2.299
  377   1HB   GLN  49          1HB       GLN  49   9.999  10.093  -1.605
  378   2HB   GLN  49          2HB       GLN  49   9.774  10.822  -3.190
  379   1HG   GLN  49          1HG       GLN  49  10.330  13.011  -2.263
  380   2HG   GLN  49          2HG       GLN  49  10.552  12.282  -0.676
  381   1HE2  GLN  49          1HE2      GLN  49  11.641  10.049  -2.841
  382   2HE2  GLN  49          2HE2      GLN  49  13.310  10.480  -2.879
  383    H    ALA  50           H        ALA  50   7.649   9.174  -0.521
  384    HA   ALA  50           HA       ALA  50   6.406   7.786  -2.759
  385   1HB   ALA  50          1HB       ALA  50   7.905   6.468  -1.457
  386   2HB   ALA  50          2HB       ALA  50   6.274   5.894  -1.114
  387   3HB   ALA  50          3HB       ALA  50   7.106   6.931   0.044
  388    H    ASP  51           H        ASP  51   4.249   7.323  -2.917
  389    HA   ASP  51           HA       ASP  51   2.481   8.786  -1.127
  390   1HB   ASP  51          1HB       ASP  51   1.877   7.242  -3.658
  391   2HB   ASP  51          2HB       ASP  51   0.716   8.209  -2.755
  392    H    PHE  52           H        PHE  52   1.511   7.863   0.542
  393    HA   PHE  52           HA       PHE  52   1.487   4.943   0.705
  394   1HB   PHE  52          1HB       PHE  52   1.124   7.062   2.829
  395   2HB   PHE  52          2HB       PHE  52   1.002   5.321   3.126
  396    HD1  PHE  52           HD1      PHE  52   3.365   7.693   1.463
  397    HD2  PHE  52           HD2      PHE  52   2.853   4.324   4.010
  398    HE1  PHE  52           HE1      PHE  52   5.800   7.576   1.792
  399    HE2  PHE  52           HE2      PHE  52   5.286   4.200   4.344
  400    HZ   PHE  52           HZ       PHE  52   6.764   5.829   3.236
  401    H    TYR  53           H        TYR  53  -0.284   4.450  -0.558
  402    HA   TYR  53           HA       TYR  53  -2.885   5.498   0.301
  403   1HB   TYR  53          1HB       TYR  53  -1.928   4.155  -2.213
  404   2HB   TYR  53          2HB       TYR  53  -3.644   4.216  -1.824
  405    HD1  TYR  53           HD1      TYR  53  -4.541   6.626  -1.207
  406    HD2  TYR  53           HD2      TYR  53  -1.032   5.866  -3.486
  407    HE1  TYR  53           HE1      TYR  53  -4.696   8.874  -2.186
  408    HE2  TYR  53           HE2      TYR  53  -1.174   8.116  -4.468
  409    HH   TYR  53           HH       TYR  53  -2.150  10.278  -3.986
  410    H    LYS  54           H        LYS  54  -4.647   3.625  -0.210
  411    HA   LYS  54           HA       LYS  54  -3.748   1.124   1.019
  412   1HB   LYS  54          1HB       LYS  54  -6.240   2.528   1.978
  413   2HB   LYS  54          2HB       LYS  54  -5.437   1.129   2.680
  414   1HG   LYS  54          1HG       LYS  54  -3.744   2.400   3.608
  415   2HG   LYS  54          2HG       LYS  54  -4.017   3.754   2.514
  416   1HD   LYS  54          1HD       LYS  54  -4.774   4.262   4.786
  417   2HD   LYS  54          2HD       LYS  54  -6.113   4.264   3.639
  418   1HE   LYS  54          1HE       LYS  54  -6.754   2.032   4.362
  419   2HE   LYS  54          2HE       LYS  54  -5.389   1.985   5.478
  420   1HZ   LYS  54          1HZ       LYS  54  -7.847   3.608   5.630
  421   2HZ   LYS  54          2HZ       LYS  54  -6.450   4.085   6.453
  422   3HZ   LYS  54          3HZ       LYS  54  -7.169   2.595   6.803
  423    H    LEU  55           H        LEU  55  -4.630  -0.623   0.085
  424    HA   LEU  55           HA       LEU  55  -6.647  -0.176  -1.977
  425   1HB   LEU  55          1HB       LEU  55  -4.520  -1.362  -2.510
  426   2HB   LEU  55          2HB       LEU  55  -5.006  -2.641  -1.417
  427    HG   LEU  55           HG       LEU  55  -5.382  -3.152  -3.828
  428   1HD1  LEU  55          1HD1      LEU  55  -6.916  -3.795  -1.670
  429   2HD1  LEU  55          2HD1      LEU  55  -7.079  -4.498  -3.279
  430   3HD1  LEU  55          3HD1      LEU  55  -8.116  -3.157  -2.793
  431   1HD2  LEU  55          1HD2      LEU  55  -6.777  -1.957  -5.169
  432   2HD2  LEU  55          2HD2      LEU  55  -6.212  -0.652  -4.125
  433   3HD2  LEU  55          3HD2      LEU  55  -7.778  -1.405  -3.825
  434    H    ASP  56           H        ASP  56  -8.685  -0.732  -1.754
  435    HA   ASP  56           HA       ASP  56  -9.571  -2.026   0.656
  436   1HB   ASP  56          1HB       ASP  56 -10.964  -0.721  -1.674
  437   2HB   ASP  56          2HB       ASP  56 -11.836  -1.514  -0.373
  438    H    VAL  57           H        VAL  57  -9.629  -4.169   0.779
  439    HA   VAL  57           HA       VAL  57  -9.830  -5.818  -1.584
  440    HB   VAL  57           HB       VAL  57  -9.676  -6.561   1.351
  441   1HG1  VAL  57          1HG1      VAL  57 -10.754  -8.383   0.259
  442   2HG1  VAL  57          2HG1      VAL  57  -9.059  -8.838   0.433
  443   3HG1  VAL  57          3HG1      VAL  57  -9.669  -8.287  -1.128
  444   1HG2  VAL  57          1HG2      VAL  57  -7.675  -5.454   0.373
  445   2HG2  VAL  57          2HG2      VAL  57  -7.584  -6.742  -0.829
  446   3HG2  VAL  57          3HG2      VAL  57  -7.372  -7.115   0.883
  447    H    ASP  58           H        ASP  58 -12.064  -4.245   0.319
  448    HA   ASP  58           HA       ASP  58 -14.089  -6.310   0.297
  449   1HB   ASP  58          1HB       ASP  58 -15.534  -4.621   1.330
  450   2HB   ASP  58          2HB       ASP  58 -13.985  -4.707   2.164
  451    H    GLU  59           H        GLU  59 -13.360  -3.324  -1.434
  452    HA   GLU  59           HA       GLU  59 -15.661  -3.781  -3.189
  453   1HB   GLU  59          1HB       GLU  59 -15.370  -1.525  -2.201
  454   2HB   GLU  59          2HB       GLU  59 -13.823  -1.387  -3.024
  455   1HG   GLU  59          1HG       GLU  59 -15.560  -0.189  -4.217
  456   2HG   GLU  59          2HG       GLU  59 -14.938  -1.527  -5.180
  457    H    LEU  60           H        LEU  60 -12.212  -3.976  -3.105
  458    HA   LEU  60           HA       LEU  60 -12.192  -4.526  -6.000
  459   1HB   LEU  60          1HB       LEU  60  -9.940  -3.450  -4.302
  460   2HB   LEU  60          2HB       LEU  60  -9.825  -3.847  -6.003
  461    HG   LEU  60           HG       LEU  60 -11.515  -2.089  -6.489
  462   1HD1  LEU  60          1HD1      LEU  60 -12.787  -1.540  -4.723
  463   2HD1  LEU  60          2HD1      LEU  60 -11.484  -0.403  -4.377
  464   3HD1  LEU  60          3HD1      LEU  60 -11.535  -1.962  -3.554
  465   1HD2  LEU  60          1HD2      LEU  60  -9.938  -0.447  -6.612
  466   2HD2  LEU  60          2HD2      LEU  60  -8.892  -1.826  -6.276
  467   3HD2  LEU  60          3HD2      LEU  60  -9.352  -0.731  -4.973
  468    H    GLY  61           H        GLY  61 -12.904  -6.578  -4.393
  469   1HA   GLY  61          1HA       GLY  61 -10.834  -8.139  -3.322
  470   2HA   GLY  61          2HA       GLY  61 -12.381  -8.754  -3.883
  471    H    ASP  62           H        ASP  62 -11.619  -7.472  -6.593
  472    HA   ASP  62           HA       ASP  62 -10.521  -9.862  -7.708
  473   1HB   ASP  62          1HB       ASP  62 -11.135  -7.229  -8.981
  474   2HB   ASP  62          2HB       ASP  62 -10.716  -8.690  -9.856
  475    H    VAL  63           H        VAL  63  -9.263  -6.764  -6.767
  476    HA   VAL  63           HA       VAL  63  -6.844  -6.966  -8.289
  477    HB   VAL  63           HB       VAL  63  -7.297  -5.227  -5.864
  478   1HG1  VAL  63          1HG1      VAL  63  -5.005  -5.641  -7.196
  479   2HG1  VAL  63          2HG1      VAL  63  -5.428  -4.097  -6.453
  480   3HG1  VAL  63          3HG1      VAL  63  -5.690  -4.347  -8.178
  481   1HG2  VAL  63          1HG2      VAL  63  -8.115  -3.505  -7.352
  482   2HG2  VAL  63          2HG2      VAL  63  -9.124  -4.943  -7.502
  483   3HG2  VAL  63          3HG2      VAL  63  -7.927  -4.575  -8.742
  484    H    ALA  64           H        ALA  64  -7.557  -7.256  -4.793
  485    HA   ALA  64           HA       ALA  64  -5.031  -8.053  -3.912
  486   1HB   ALA  64          1HB       ALA  64  -6.393  -7.672  -2.133
  487   2HB   ALA  64          2HB       ALA  64  -6.572  -9.425  -2.217
  488   3HB   ALA  64          3HB       ALA  64  -7.807  -8.378  -2.916
  489    H    GLN  65           H        GLN  65  -7.466  -9.797  -5.675
  490    HA   GLN  65           HA       GLN  65  -6.181 -12.371  -5.244
  491   1HB   GLN  65          1HB       GLN  65  -8.627 -12.276  -5.281
  492   2HB   GLN  65          2HB       GLN  65  -8.589 -11.609  -6.907
  493   1HG   GLN  65          1HG       GLN  65  -7.577 -13.675  -7.730
  494   2HG   GLN  65          2HG       GLN  65  -7.623 -14.342  -6.099
  495   1HE2  GLN  65          1HE2      GLN  65  -9.226 -15.695  -5.792
  496   2HE2  GLN  65          2HE2      GLN  65 -10.786 -15.622  -6.528
  497    H    LYS  66           H        LYS  66  -6.330  -9.826  -7.605
  498    HA   LYS  66           HA       LYS  66  -5.373 -11.322  -9.815
  499   1HB   LYS  66          1HB       LYS  66  -6.185  -9.459 -10.742
  500   2HB   LYS  66          2HB       LYS  66  -6.121  -8.602  -9.217
  501   1HG   LYS  66          1HG       LYS  66  -4.816  -7.396 -10.779
  502   2HG   LYS  66          2HG       LYS  66  -3.710  -8.167  -9.644
  503   1HD   LYS  66          1HD       LYS  66  -3.304  -9.960 -11.276
  504   2HD   LYS  66          2HD       LYS  66  -4.400  -9.168 -12.408
  505   1HE   LYS  66          1HE       LYS  66  -1.837  -8.012 -11.317
  506   2HE   LYS  66          2HE       LYS  66  -2.066  -8.674 -12.935
  507   1HZ   LYS  66          1HZ       LYS  66  -3.351  -6.256 -11.794
  508   2HZ   LYS  66          2HZ       LYS  66  -3.795  -6.943 -13.274
  509   3HZ   LYS  66          3HZ       LYS  66  -2.236  -6.321 -13.065
  510    H    ASN  67           H        ASN  67  -3.822  -9.119  -7.496
  511    HA   ASN  67           HA       ASN  67  -1.195  -9.634  -8.496
  512   1HB   ASN  67          1HB       ASN  67  -2.215  -8.229  -6.020
  513   2HB   ASN  67          2HB       ASN  67  -0.520  -8.295  -6.503
  514   1HD2  ASN  67          1HD2      ASN  67  -3.182  -6.431  -6.543
  515   2HD2  ASN  67          2HD2      ASN  67  -2.837  -5.438  -7.933
  516    H    GLU  68           H        GLU  68  -3.263 -11.516  -6.770
  517    HA   GLU  68           HA       GLU  68  -3.028 -13.435  -5.596
  518   1HB   GLU  68          1HB       GLU  68  -0.075 -13.097  -6.148
  519   2HB   GLU  68          2HB       GLU  68  -0.847 -14.556  -5.546
  520   1HG   GLU  68          1HG       GLU  68  -2.122 -14.747  -7.610
  521   2HG   GLU  68          2HG       GLU  68  -1.372 -13.270  -8.215
  522    H    VAL  69           H        VAL  69  -3.147 -10.950  -4.215
  523    HA   VAL  69           HA       VAL  69  -1.481 -11.556  -1.857
  524    HB   VAL  69           HB       VAL  69  -2.690  -8.882  -2.580
  525   1HG1  VAL  69          1HG1      VAL  69  -0.610  -9.545  -0.496
  526   2HG1  VAL  69          2HG1      VAL  69  -2.333  -9.375  -0.152
  527   3HG1  VAL  69          3HG1      VAL  69  -1.418  -7.997  -0.762
  528   1HG2  VAL  69          1HG2      VAL  69   0.238  -9.223  -2.576
  529   2HG2  VAL  69          2HG2      VAL  69  -0.797  -8.279  -3.649
  530   3HG2  VAL  69          3HG2      VAL  69  -0.621 -10.017  -3.896
  531    H    SER  70           H        SER  70  -3.323 -13.144  -1.524
  532    HA   SER  70           HA       SER  70  -5.831 -12.015  -0.654
  533   1HB   SER  70          1HB       SER  70  -6.469 -14.329  -0.152
  534   2HB   SER  70          2HB       SER  70  -5.775 -14.203  -1.779
  535    HG   SER  70           HG       SER  70  -3.809 -14.981  -0.912
  536    H    ALA  71           H        ALA  71  -2.820 -12.350   0.762
  537    HA   ALA  71           HA       ALA  71  -3.369 -13.192   3.365
  538   1HB   ALA  71          1HB       ALA  71  -1.314 -12.167   3.999
  539   2HB   ALA  71          2HB       ALA  71  -1.366 -11.068   2.621
  540   3HB   ALA  71          3HB       ALA  71  -1.101 -12.793   2.364
  541    H    MET  72           H        MET  72  -2.645 -11.130   5.095
  542    HA   MET  72           HA       MET  72  -4.125  -8.773   4.706
  543   1HB   MET  72          1HB       MET  72  -6.036  -9.138   6.133
  544   2HB   MET  72          2HB       MET  72  -6.032 -10.296   4.814
  545   1HG   MET  72          1HG       MET  72  -5.119 -10.865   7.616
  546   2HG   MET  72          2HG       MET  72  -6.693 -11.280   6.955
  547   1HE   MET  72          1HE       MET  72  -5.306 -14.789   7.197
  548   2HE   MET  72          2HE       MET  72  -6.179 -13.488   8.008
  549   3HE   MET  72          3HE       MET  72  -4.436 -13.647   8.223
  550    HA   PRO  73           HA       PRO  73  -3.528  -7.107   4.910
  551   1HB   PRO  73          1HB       PRO  73  -1.950  -5.073   5.456
  552   2HB   PRO  73          2HB       PRO  73  -3.382  -5.367   6.466
  553   1HG   PRO  73          1HG       PRO  73  -0.518  -6.057   6.993
  554   2HG   PRO  73          2HG       PRO  73  -1.714  -5.352   8.091
  555   1HD   PRO  73          1HD       PRO  73  -1.054  -8.044   7.979
  556   2HD   PRO  73          2HD       PRO  73  -2.563  -7.389   8.651
  557    H    THR  74           H        THR  74  -1.670  -5.685   3.610
  558    HA   THR  74           HA       THR  74   0.828  -7.061   3.295
  559    HB   THR  74           HB       THR  74  -1.155  -7.187   1.015
  560    HG1  THR  74           HG1      THR  74  -1.704  -9.019   1.842
  561   1HG2  THR  74          1HG2      THR  74   1.659  -7.291   0.987
  562   2HG2  THR  74          2HG2      THR  74   0.539  -7.608  -0.335
  563   3HG2  THR  74          3HG2      THR  74   1.070  -8.928   0.706
  564    H    LEU  75           H        LEU  75   2.334  -5.799   2.206
  565    HA   LEU  75           HA       LEU  75   1.341  -3.154   1.382
  566   1HB   LEU  75          1HB       LEU  75   4.100  -3.922   2.327
  567   2HB   LEU  75          2HB       LEU  75   3.582  -2.308   1.882
  568    HG   LEU  75           HG       LEU  75   2.724  -3.920   4.278
  569   1HD1  LEU  75          1HD1      LEU  75   4.885  -2.467   4.106
  570   2HD1  LEU  75          2HD1      LEU  75   3.865  -2.390   5.540
  571   3HD1  LEU  75          3HD1      LEU  75   3.755  -1.130   4.315
  572   1HD2  LEU  75          1HD2      LEU  75   1.205  -2.113   4.840
  573   2HD2  LEU  75          2HD2      LEU  75   0.761  -2.818   3.287
  574   3HD2  LEU  75          3HD2      LEU  75   1.612  -1.274   3.343
  575    H    LEU  76           H        LEU  76   1.453  -2.626  -0.673
  576    HA   LEU  76           HA       LEU  76   3.331  -4.083  -2.411
  577   1HB   LEU  76          1HB       LEU  76   0.611  -2.928  -3.031
  578   2HB   LEU  76          2HB       LEU  76   1.710  -3.545  -4.260
  579    HG   LEU  76           HG       LEU  76   0.299  -5.089  -2.091
  580   1HD1  LEU  76          1HD1      LEU  76  -1.077  -5.777  -3.694
  581   2HD1  LEU  76          2HD1      LEU  76   0.253  -6.115  -4.801
  582   3HD1  LEU  76          3HD1      LEU  76  -0.409  -4.484  -4.688
  583   1HD2  LEU  76          1HD2      LEU  76   2.276  -6.215  -1.978
  584   2HD2  LEU  76          2HD2      LEU  76   2.763  -5.753  -3.609
  585   3HD2  LEU  76          3HD2      LEU  76   1.569  -7.030  -3.373
  586    H    LEU  77           H        LEU  77   4.853  -2.931  -3.408
  587    HA   LEU  77           HA       LEU  77   4.595   0.002  -3.404
  588   1HB   LEU  77          1HB       LEU  77   7.062  -1.737  -3.438
  589   2HB   LEU  77          2HB       LEU  77   7.083   0.011  -3.585
  590    HG   LEU  77           HG       LEU  77   6.072   0.187  -1.330
  591   1HD1  LEU  77          1HD1      LEU  77   6.084  -2.769  -1.586
  592   2HD1  LEU  77          2HD1      LEU  77   4.907  -1.701  -0.822
  593   3HD1  LEU  77          3HD1      LEU  77   6.424  -2.072  -0.003
  594   1HD2  LEU  77          1HD2      LEU  77   8.174  -1.020  -0.203
  595   2HD2  LEU  77          2HD2      LEU  77   8.301   0.500  -1.089
  596   3HD2  LEU  77          3HD2      LEU  77   8.713  -1.021  -1.883
  597    H    PHE  78           H        PHE  78   4.600   1.090  -5.267
  598    HA   PHE  78           HA       PHE  78   5.370  -0.323  -7.738
  599   1HB   PHE  78          1HB       PHE  78   2.981   1.508  -7.424
  600   2HB   PHE  78          2HB       PHE  78   3.441   0.625  -8.874
  601    HD1  PHE  78           HD1      PHE  78   3.634  -1.996  -8.536
  602    HD2  PHE  78           HD2      PHE  78   1.357   0.624  -6.074
  603    HE1  PHE  78           HE1      PHE  78   2.249  -3.893  -7.802
  604    HE2  PHE  78           HE2      PHE  78  -0.028  -1.269  -5.338
  605    HZ   PHE  78           HZ       PHE  78   0.412  -3.526  -6.200
  606    H    LYS  79           H        LYS  79   6.838   0.789  -8.927
  607    HA   LYS  79           HA       LYS  79   7.085   3.688  -8.414
  608   1HB   LYS  79          1HB       LYS  79   9.107   1.591  -9.113
  609   2HB   LYS  79          2HB       LYS  79   9.413   3.268  -9.535
  610   1HG   LYS  79          1HG       LYS  79   9.227   3.913  -7.201
  611   2HG   LYS  79          2HG       LYS  79   8.858   2.250  -6.750
  612   1HD   LYS  79          1HD       LYS  79  11.198   2.769  -6.315
  613   2HD   LYS  79          2HD       LYS  79  11.055   1.545  -7.578
  614   1HE   LYS  79          1HE       LYS  79  12.743   3.206  -8.155
  615   2HE   LYS  79          2HE       LYS  79  11.390   3.260  -9.284
  616   1HZ   LYS  79          1HZ       LYS  79  12.123   5.475  -8.600
  617   2HZ   LYS  79          2HZ       LYS  79  11.764   5.107  -6.988
  618   3HZ   LYS  79          3HZ       LYS  79  10.523   5.178  -8.135
  619    H    ASN  80           H        ASN  80   6.614   5.073 -10.006
  620    HA   ASN  80           HA       ASN  80   5.890   5.843 -12.023
  621   1HB   ASN  80          1HB       ASN  80   8.143   4.046 -12.927
  622   2HB   ASN  80          2HB       ASN  80   7.337   5.214 -13.969
  623   1HD2  ASN  80          1HD2      ASN  80   8.348   7.059 -14.167
  624   2HD2  ASN  80          2HD2      ASN  80   9.380   7.795 -12.992
  625    H    GLY  81           H        GLY  81   4.060   4.153 -11.273
  626   1HA   GLY  81          1HA       GLY  81   2.353   2.815 -11.991
  627   2HA   GLY  81          2HA       GLY  81   2.853   3.246 -13.621
  628    H    LYS  82           H        LYS  82   5.255   1.725 -11.726
  629    HA   LYS  82           HA       LYS  82   4.749  -0.830 -13.103
  630   1HB   LYS  82          1HB       LYS  82   7.411   0.345 -12.277
  631   2HB   LYS  82          2HB       LYS  82   7.172  -1.185 -13.104
  632   1HG   LYS  82          1HG       LYS  82   6.273  -0.016 -15.041
  633   2HG   LYS  82          2HG       LYS  82   6.499   1.525 -14.216
  634   1HD   LYS  82          1HD       LYS  82   8.321   1.096 -15.780
  635   2HD   LYS  82          2HD       LYS  82   8.908   1.125 -14.116
  636   1HE   LYS  82          1HE       LYS  82   9.907  -0.711 -15.378
  637   2HE   LYS  82          2HE       LYS  82   8.902  -1.312 -14.060
  638   1HZ   LYS  82          1HZ       LYS  82   7.857  -1.042 -16.814
  639   2HZ   LYS  82          2HZ       LYS  82   7.235  -1.964 -15.540
  640   3HZ   LYS  82          3HZ       LYS  82   8.668  -2.437 -16.304
  641    H    GLU  83           H        GLU  83   6.886  -2.108 -11.598
  642    HA   GLU  83           HA       GLU  83   5.473  -2.426  -9.042
  643   1HB   GLU  83          1HB       GLU  83   5.501  -4.416 -10.495
  644   2HB   GLU  83          2HB       GLU  83   7.256  -4.361 -10.540
  645   1HG   GLU  83          1HG       GLU  83   7.385  -4.878  -8.200
  646   2HG   GLU  83          2HG       GLU  83   5.631  -4.775  -8.042
  647    H    VAL  84           H        VAL  84   7.027  -3.262  -7.255
  648    HA   VAL  84           HA       VAL  84   9.673  -2.070  -7.438
  649    HB   VAL  84           HB       VAL  84   7.842  -1.426  -5.209
  650   1HG1  VAL  84          1HG1      VAL  84  10.262   0.160  -5.651
  651   2HG1  VAL  84          2HG1      VAL  84  10.532  -1.503  -5.133
  652   3HG1  VAL  84          3HG1      VAL  84   9.550  -0.420  -4.146
  653   1HG2  VAL  84          1HG2      VAL  84   7.662   0.799  -6.081
  654   2HG2  VAL  84          2HG2      VAL  84   7.189  -0.345  -7.335
  655   3HG2  VAL  84          3HG2      VAL  84   8.781   0.406  -7.386
  656    H    ALA  85           H        ALA  85   7.492  -3.537  -5.044
  657    HA   ALA  85           HA       ALA  85   9.080  -5.877  -4.773
  658   1HB   ALA  85          1HB       ALA  85  10.391  -5.489  -2.978
  659   2HB   ALA  85          2HB       ALA  85   9.225  -4.403  -2.224
  660   3HB   ALA  85          3HB       ALA  85  10.268  -3.815  -3.519
  661    H    LYS  86           H        LYS  86   8.264  -7.350  -3.163
  662    HA   LYS  86           HA       LYS  86   5.526  -6.692  -2.298
  663   1HB   LYS  86          1HB       LYS  86   5.003  -9.097  -2.554
  664   2HB   LYS  86          2HB       LYS  86   5.459  -8.336  -4.073
  665   1HG   LYS  86          1HG       LYS  86   7.721  -9.275  -3.839
  666   2HG   LYS  86          2HG       LYS  86   7.212 -10.081  -2.356
  667   1HD   LYS  86          1HD       LYS  86   6.026 -10.516  -5.096
  668   2HD   LYS  86          2HD       LYS  86   7.148 -11.601  -4.274
  669   1HE   LYS  86          1HE       LYS  86   5.516 -11.926  -2.479
  670   2HE   LYS  86          2HE       LYS  86   4.396 -10.840  -3.301
  671   1HZ   LYS  86          1HZ       LYS  86   3.848 -12.402  -4.808
  672   2HZ   LYS  86          2HZ       LYS  86   4.356 -13.474  -3.602
  673   3HZ   LYS  86          3HZ       LYS  86   5.401 -13.072  -4.870
  674    H    VAL  87           H        VAL  87   5.418  -6.471  -0.176
  675    HA   VAL  87           HA       VAL  87   6.848  -8.390   1.522
  676    HB   VAL  87           HB       VAL  87   6.785  -5.414   2.043
  677   1HG1  VAL  87          1HG1      VAL  87   8.232  -7.586   3.551
  678   2HG1  VAL  87          2HG1      VAL  87   6.707  -6.863   4.062
  679   3HG1  VAL  87          3HG1      VAL  87   8.162  -5.871   3.957
  680   1HG2  VAL  87          1HG2      VAL  87   8.344  -5.736   0.310
  681   2HG2  VAL  87          2HG2      VAL  87   8.951  -7.230   1.025
  682   3HG2  VAL  87          3HG2      VAL  87   9.302  -5.681   1.791
  683    H    VAL  88           H        VAL  88   4.730  -9.358   1.666
  684    HA   VAL  88           HA       VAL  88   2.440  -8.055   2.606
  685    HB   VAL  88           HB       VAL  88   2.235 -10.234   1.620
  686   1HG1  VAL  88          1HG1      VAL  88   3.963 -11.621   1.971
  687   2HG1  VAL  88          2HG1      VAL  88   3.076 -12.125   3.410
  688   3HG1  VAL  88          3HG1      VAL  88   4.346 -10.907   3.537
  689   1HG2  VAL  88          1HG2      VAL  88   1.575 -10.730   4.503
  690   2HG2  VAL  88          2HG2      VAL  88   0.676 -11.190   3.058
  691   3HG2  VAL  88          3HG2      VAL  88   0.720  -9.505   3.570
  692    H    GLY  89           H        GLY  89   3.119  -6.654   4.284
  693   1HA   GLY  89          1HA       GLY  89   2.516  -6.980   6.782
  694   2HA   GLY  89          2HA       GLY  89   3.979  -7.953   6.778
  695    H    ALA  90           H        ALA  90   2.847  -5.059   7.658
  696    HA   ALA  90           HA       ALA  90   5.043  -3.390   6.760
  697   1HB   ALA  90          1HB       ALA  90   2.509  -2.785   7.364
  698   2HB   ALA  90          2HB       ALA  90   3.827  -1.622   7.509
  699   3HB   ALA  90          3HB       ALA  90   3.247  -2.479   8.936
  700    H    ASN  91           H        ASN  91   6.291  -5.374   7.949
  701    HA   ASN  91           HA       ASN  91   6.609  -5.452  10.684
  702   1HB   ASN  91          1HB       ASN  91   7.672  -7.050   9.154
  703   2HB   ASN  91          2HB       ASN  91   8.759  -5.789   8.582
  704   1HD2  ASN  91          1HD2      ASN  91  10.699  -5.880   9.422
  705   2HD2  ASN  91          2HD2      ASN  91  11.109  -6.463  10.996
  706    HA   PRO  92           HA       PRO  92   8.001  -1.435  11.970
  707   1HB   PRO  92          1HB       PRO  92   9.707  -3.146  13.744
  708   2HB   PRO  92          2HB       PRO  92   8.762  -1.704  14.145
  709   1HG   PRO  92          1HG       PRO  92   7.810  -4.097  14.744
  710   2HG   PRO  92          2HG       PRO  92   6.738  -2.852  14.072
  711   1HD   PRO  92          1HD       PRO  92   7.891  -5.267  12.758
  712   2HD   PRO  92          2HD       PRO  92   6.320  -4.482  12.501
  713    H    ALA  93           H        ALA  93  10.194  -4.015  11.051
  714    HA   ALA  93           HA       ALA  93  12.181  -1.977  10.291
  715   1HB   ALA  93          1HB       ALA  93  13.955  -3.381  10.901
  716   2HB   ALA  93          2HB       ALA  93  12.909  -4.795  11.020
  717   3HB   ALA  93          3HB       ALA  93  12.800  -3.514  12.226
  718    H    ALA  94           H        ALA  94  10.269  -2.544   8.459
  719    HA   ALA  94           HA       ALA  94  11.832  -3.779   6.371
  720   1HB   ALA  94          1HB       ALA  94  10.272  -5.436   5.706
  721   2HB   ALA  94          2HB       ALA  94   9.063  -4.846   6.848
  722   3HB   ALA  94          3HB       ALA  94  10.519  -5.645   7.440
  723    H    ILE  95           H        ILE  95   8.447  -2.764   6.925
  724    HA   ILE  95           HA       ILE  95   8.078  -1.704   4.368
  725    HB   ILE  95           HB       ILE  95   6.188  -2.123   5.794
  726   1HG1  ILE  95          1HG1      ILE  95   4.914  -0.107   5.469
  727   2HG1  ILE  95          2HG1      ILE  95   6.375   0.872   5.416
  728   1HG2  ILE  95          1HG2      ILE  95   7.668  -0.394   7.666
  729   2HG2  ILE  95          2HG2      ILE  95   6.643  -1.794   7.978
  730   3HG2  ILE  95          3HG2      ILE  95   5.914  -0.219   7.665
  731   1HD1  ILE  95          1HD1      ILE  95   6.278  -1.263   3.416
  732   2HD1  ILE  95          2HD1      ILE  95   6.723   0.435   3.250
  733   3HD1  ILE  95          3HD1      ILE  95   5.023  -0.035   3.247
  734    H    LYS  96           H        LYS  96  10.239  -0.647   6.687
  735    HA   LYS  96           HA       LYS  96  10.002   2.182   6.016
  736   1HB   LYS  96          1HB       LYS  96  11.697   2.568   7.689
  737   2HB   LYS  96          2HB       LYS  96  10.481   1.490   8.359
  738   1HG   LYS  96          1HG       LYS  96  11.951  -0.422   7.939
  739   2HG   LYS  96          2HG       LYS  96  13.173   0.671   7.288
  740   1HD   LYS  96          1HD       LYS  96  13.215   1.839   9.479
  741   2HD   LYS  96          2HD       LYS  96  12.104   0.622  10.108
  742   1HE   LYS  96          1HE       LYS  96  13.757  -1.124   9.589
  743   2HE   LYS  96          2HE       LYS  96  14.867   0.115   9.007
  744   1HZ   LYS  96          1HZ       LYS  96  13.826   0.496  11.693
  745   2HZ   LYS  96          2HZ       LYS  96  15.384   0.755  11.089
  746   3HZ   LYS  96          3HZ       LYS  96  14.884  -0.809  11.494
  747    H    GLN  97           H        GLN  97  12.356  -0.459   5.733
  748    HA   GLN  97           HA       GLN  97  14.183   1.102   4.182
  749   1HB   GLN  97          1HB       GLN  97  14.015  -1.895   4.564
  750   2HB   GLN  97          2HB       GLN  97  15.367  -1.037   3.837
  751   1HG   GLN  97          1HG       GLN  97  15.759   0.129   5.950
  752   2HG   GLN  97          2HG       GLN  97  14.412  -0.741   6.676
  753   1HE2  GLN  97          1HE2      GLN  97  15.818  -2.878   4.606
  754   2HE2  GLN  97          2HE2      GLN  97  16.912  -3.651   5.693
  755    H    ALA  98           H        ALA  98  11.540  -1.084   3.516
  756    HA   ALA  98           HA       ALA  98  12.055  -1.582   0.797
  757   1HB   ALA  98          1HB       ALA  98  10.056  -2.643   0.782
  758   2HB   ALA  98          2HB       ALA  98   9.229  -1.329   1.619
  759   3HB   ALA  98          3HB       ALA  98  10.211  -2.477   2.530
  760    H    ILE  99           H        ILE  99  10.647   1.130   2.463
  761    HA   ILE  99           HA       ILE  99   9.762   2.401   0.000
  762    HB   ILE  99           HB       ILE  99   9.689   3.414   2.846
  763   1HG1  ILE  99          1HG1      ILE  99   7.532   2.138   1.152
  764   2HG1  ILE  99          2HG1      ILE  99   8.330   1.394   2.532
  765   1HG2  ILE  99          1HG2      ILE  99   9.579   5.292   1.419
  766   2HG2  ILE  99          2HG2      ILE  99   7.911   4.938   1.865
  767   3HG2  ILE  99          3HG2      ILE  99   8.519   4.462   0.280
  768   1HD1  ILE  99          1HD1      ILE  99   7.250   3.916   3.313
  769   2HD1  ILE  99          2HD1      ILE  99   6.860   2.302   3.906
  770   3HD1  ILE  99          3HD1      ILE  99   6.005   2.960   2.512
  771    H    ALA 100           H        ALA 100  12.642   2.154   1.671
  772    HA   ALA 100           HA       ALA 100  13.534   4.872   1.159
  773   1HB   ALA 100          1HB       ALA 100  15.747   3.637   2.055
  774   2HB   ALA 100          2HB       ALA 100  14.508   2.593   2.752
  775   3HB   ALA 100          3HB       ALA 100  14.512   4.318   3.113
  776    H    ALA 101           H        ALA 101  15.283   1.841   0.634
  777    HA   ALA 101           HA       ALA 101  16.910   2.683  -1.399
  778   1HB   ALA 101          1HB       ALA 101  17.576   0.652  -0.651
  779   2HB   ALA 101          2HB       ALA 101  16.701   0.118  -2.086
  780   3HB   ALA 101          3HB       ALA 101  15.929   0.042  -0.503
  781    H    ASN 102           H        ASN 102  13.546   1.721  -1.638
  782    HA   ASN 102           HA       ASN 102  13.657   1.592  -4.524
  783   1HB   ASN 102          1HB       ASN 102  11.441   1.242  -2.508
  784   2HB   ASN 102          2HB       ASN 102  11.187   1.180  -4.253
  785   1HD2  ASN 102          1HD2      ASN 102  11.620  -0.669  -1.618
  786   2HD2  ASN 102          2HD2      ASN 102  12.299  -2.083  -2.343
  787    H    ALA 103           H        ALA 103  11.511   3.382  -2.295
  788    HA   ALA 103           HA       ALA 103  10.589   5.239  -4.120
  789   1HB   ALA 103          1HB       ALA 103   9.968   4.774  -1.606
  790   2HB   ALA 103          2HB       ALA 103   9.631   6.333  -2.359
  791   3HB   ALA 103          3HB       ALA 103  11.045   6.142  -1.324
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -0.182  12.021   2.492
    2   2H    MET   1          2H        MET   1   0.098  12.636   4.069
    3   3H    MET   1          3H        MET   1  -0.654  13.622   2.885
    4    HA   MET   1           HA       MET   1  -2.000  12.411   4.715
    5   1HB   MET   1          1HB       MET   1  -3.919  12.580   3.264
    6   2HB   MET   1          2HB       MET   1  -2.822  13.900   2.897
    7   1HG   MET   1          1HG       MET   1  -3.003  11.352   1.308
    8   2HG   MET   1          2HG       MET   1  -3.858  12.838   0.911
    9   1HE   MET   1          1HE       MET   1  -1.192  12.825  -1.889
   10   2HE   MET   1          2HE       MET   1  -2.899  12.708  -1.461
   11   3HE   MET   1          3HE       MET   1  -1.827  11.331  -1.199
   12    H    VAL   2           H        VAL   2  -3.918  10.691   3.920
   13    HA   VAL   2           HA       VAL   2  -2.730   8.285   2.832
   14    HB   VAL   2           HB       VAL   2  -2.109   8.326   5.283
   15   1HG1  VAL   2          1HG1      VAL   2  -3.887   7.687   6.884
   16   2HG1  VAL   2          2HG1      VAL   2  -5.083   7.973   5.622
   17   3HG1  VAL   2          3HG1      VAL   2  -4.094   9.307   6.218
   18   1HG2  VAL   2          1HG2      VAL   2  -3.619   5.924   5.332
   19   2HG2  VAL   2          2HG2      VAL   2  -1.909   6.145   4.963
   20   3HG2  VAL   2          3HG2      VAL   2  -3.107   6.217   3.671
   21    H    THR   3           H        THR   3  -4.243   7.080   1.799
   22    HA   THR   3           HA       THR   3  -7.033   7.246   2.597
   23    HB   THR   3           HB       THR   3  -6.091   8.095  -0.147
   24    HG1  THR   3           HG1      THR   3  -5.931   9.816   1.177
   25   1HG2  THR   3          1HG2      THR   3  -8.825   7.504   0.893
   26   2HG2  THR   3          2HG2      THR   3  -8.089   7.060  -0.647
   27   3HG2  THR   3          3HG2      THR   3  -8.578   8.729  -0.352
   28    H    GLN   4           H        GLN   4  -8.396   5.679   1.530
   29    HA   GLN   4           HA       GLN   4  -6.923   3.239   0.856
   30   1HB   GLN   4          1HB       GLN   4  -9.918   3.549   1.124
   31   2HB   GLN   4          2HB       GLN   4  -8.981   2.069   1.206
   32   1HG   GLN   4          1HG       GLN   4  -9.640   2.542   3.404
   33   2HG   GLN   4          2HG       GLN   4  -7.940   2.987   3.308
   34   1HE2  GLN   4          1HE2      GLN   4  -7.658   4.647   4.627
   35   2HE2  GLN   4          2HE2      GLN   4  -8.632   6.072   4.682
   36    H    PHE   5           H        PHE   5  -8.440   1.880  -0.836
   37    HA   PHE   5           HA       PHE   5  -9.125   3.646  -3.070
   38   1HB   PHE   5          1HB       PHE   5  -7.305   1.246  -3.205
   39   2HB   PHE   5          2HB       PHE   5  -8.097   1.930  -4.631
   40    HD1  PHE   5           HD1      PHE   5  -7.875   4.841  -3.843
   41    HD2  PHE   5           HD2      PHE   5  -5.061   1.645  -3.763
   42    HE1  PHE   5           HE1      PHE   5  -6.044   6.456  -4.128
   43    HE2  PHE   5           HE2      PHE   5  -3.228   3.262  -4.050
   44    HZ   PHE   5           HZ       PHE   5  -3.716   5.665  -4.235
   45    H    LYS   6           H        LYS   6 -11.292   3.343  -2.924
   46    HA   LYS   6           HA       LYS   6 -12.467   0.753  -2.565
   47   1HB   LYS   6          1HB       LYS   6 -13.706   3.383  -3.400
   48   2HB   LYS   6          2HB       LYS   6 -14.608   1.932  -2.983
   49   1HG   LYS   6          1HG       LYS   6 -12.791   3.467  -1.135
   50   2HG   LYS   6          2HG       LYS   6 -14.555   3.523  -1.139
   51   1HD   LYS   6          1HD       LYS   6 -14.628   1.132  -0.611
   52   2HD   LYS   6          2HD       LYS   6 -12.864   1.080  -0.605
   53   1HE   LYS   6          1HE       LYS   6 -14.599   2.716   1.243
   54   2HE   LYS   6          2HE       LYS   6 -13.759   1.224   1.665
   55   1HZ   LYS   6          1HZ       LYS   6 -11.655   2.326   1.238
   56   2HZ   LYS   6          2HZ       LYS   6 -12.540   3.176   2.403
   57   3HZ   LYS   6          3HZ       LYS   6 -12.456   3.755   0.816
   58    H    THR   7           H        THR   7 -11.622   2.777  -5.280
   59    HA   THR   7           HA       THR   7 -12.549   0.647  -7.087
   60    HB   THR   7           HB       THR   7 -13.089   2.383  -8.766
   61    HG1  THR   7           HG1      THR   7 -12.974   4.497  -8.274
   62   1HG2  THR   7          1HG2      THR   7 -14.650   1.692  -6.607
   63   2HG2  THR   7          2HG2      THR   7 -15.184   2.535  -8.061
   64   3HG2  THR   7          3HG2      THR   7 -14.720   3.454  -6.629
   65    H    ALA   8           H        ALA   8 -11.067  -0.067  -8.510
   66    HA   ALA   8           HA       ALA   8  -8.372   0.571  -8.240
   67   1HB   ALA   8          1HB       ALA   8  -9.522  -1.492  -9.321
   68   2HB   ALA   8          2HB       ALA   8  -7.951  -0.961  -9.922
   69   3HB   ALA   8          3HB       ALA   8  -9.420  -0.547 -10.807
   70    H    SER   9           H        SER   9 -10.826   2.089 -10.142
   71    HA   SER   9           HA       SER   9  -9.252   3.333 -12.092
   72   1HB   SER   9          1HB       SER   9 -11.772   4.344 -10.750
   73   2HB   SER   9          2HB       SER   9 -11.086   4.990 -12.241
   74    HG   SER   9           HG       SER   9 -11.890   2.293 -11.889
   75    H    GLU  10           H        GLU  10  -9.456   3.849  -8.706
   76    HA   GLU  10           HA       GLU  10  -8.367   6.522  -8.843
   77   1HB   GLU  10          1HB       GLU  10  -9.062   4.796  -6.471
   78   2HB   GLU  10          2HB       GLU  10  -8.504   6.460  -6.371
   79   1HG   GLU  10          1HG       GLU  10 -10.483   7.201  -7.589
   80   2HG   GLU  10          2HG       GLU  10 -11.039   5.533  -7.705
   81    H    PHE  11           H        PHE  11  -7.408   3.288  -8.026
   82    HA   PHE  11           HA       PHE  11  -4.853   3.970  -6.973
   83   1HB   PHE  11          1HB       PHE  11  -6.147   1.860  -6.474
   84   2HB   PHE  11          2HB       PHE  11  -5.723   1.301  -8.087
   85    HD1  PHE  11           HD1      PHE  11  -4.918  -0.594  -6.423
   86    HD2  PHE  11           HD2      PHE  11  -3.028   3.191  -6.896
   87    HE1  PHE  11           HE1      PHE  11  -2.826  -1.528  -5.530
   88    HE2  PHE  11           HE2      PHE  11  -0.935   2.260  -6.014
   89    HZ   PHE  11           HZ       PHE  11  -0.832  -0.098  -5.328
   90    H    ASP  12           H        ASP  12  -6.113   3.270 -10.148
   91    HA   ASP  12           HA       ASP  12  -3.831   2.554 -11.536
   92   1HB   ASP  12          1HB       ASP  12  -6.077   2.542 -12.527
   93   2HB   ASP  12          2HB       ASP  12  -6.103   4.302 -12.504
   94    H    SER  13           H        SER  13  -5.131   5.862 -11.191
   95    HA   SER  13           HA       SER  13  -2.966   7.161 -12.410
   96   1HB   SER  13          1HB       SER  13  -3.831   9.205 -11.322
   97   2HB   SER  13          2HB       SER  13  -5.124   8.262 -12.062
   98    HG   SER  13           HG       SER  13  -5.356   7.327  -9.860
   99    H    ALA  14           H        ALA  14  -3.542   6.230  -9.067
  100    HA   ALA  14           HA       ALA  14  -1.605   7.639  -7.729
  101   1HB   ALA  14          1HB       ALA  14  -2.683   6.445  -6.176
  102   2HB   ALA  14          2HB       ALA  14  -1.470   5.205  -6.489
  103   3HB   ALA  14          3HB       ALA  14  -3.035   5.131  -7.298
  104    H    ILE  15           H        ILE  15  -1.169   4.462  -9.293
  105    HA   ILE  15           HA       ILE  15   1.654   4.441  -8.794
  106    HB   ILE  15           HB       ILE  15   1.710   2.422 -10.174
  107   1HG1  ILE  15          1HG1      ILE  15  -1.223   3.015 -10.640
  108   2HG1  ILE  15          2HG1      ILE  15   0.047   2.992 -11.858
  109   1HG2  ILE  15          1HG2      ILE  15   0.145   2.817  -7.792
  110   2HG2  ILE  15          2HG2      ILE  15   1.212   1.483  -8.227
  111   3HG2  ILE  15          3HG2      ILE  15  -0.478   1.460  -8.731
  112   1HD1  ILE  15          1HD1      ILE  15  -0.069   0.496 -10.423
  113   2HD1  ILE  15          2HD1      ILE  15  -0.171   0.812 -12.155
  114   3HD1  ILE  15          3HD1      ILE  15  -1.621   0.902 -11.154
  115    H    ALA  16           H        ALA  16  -0.334   4.885 -11.712
  116    HA   ALA  16           HA       ALA  16   1.530   5.092 -13.660
  117   1HB   ALA  16          1HB       ALA  16  -0.990   6.653 -13.233
  118   2HB   ALA  16          2HB       ALA  16  -0.691   5.303 -14.327
  119   3HB   ALA  16          3HB       ALA  16   0.005   6.886 -14.669
  120    H    GLN  17           H        GLN  17   3.501   5.952 -13.206
  121    HA   GLN  17           HA       GLN  17   5.110   7.499 -12.712
  122   1HB   GLN  17          1HB       GLN  17   3.169   9.231 -14.246
  123   2HB   GLN  17          2HB       GLN  17   4.860   9.614 -13.955
  124   1HG   GLN  17          1HG       GLN  17   5.528   7.633 -15.222
  125   2HG   GLN  17          2HG       GLN  17   3.827   7.258 -15.522
  126   1HE2  GLN  17          1HE2      GLN  17   6.487   8.540 -16.877
  127   2HE2  GLN  17          2HE2      GLN  17   5.764   9.609 -18.025
  128    H    ASP  18           H        ASP  18   4.919   7.615 -10.446
  129    HA   ASP  18           HA       ASP  18   4.323  10.191  -9.458
  130   1HB   ASP  18          1HB       ASP  18   2.013   9.156  -9.722
  131   2HB   ASP  18          2HB       ASP  18   2.464   8.051  -8.427
  132    H    LYS  19           H        LYS  19   6.562   8.481  -9.363
  133    HA   LYS  19           HA       LYS  19   8.196   7.893  -7.874
  134   1HB   LYS  19          1HB       LYS  19   6.271   9.122  -5.916
  135   2HB   LYS  19          2HB       LYS  19   7.918   8.665  -5.521
  136   1HG   LYS  19          1HG       LYS  19   8.822  10.314  -6.938
  137   2HG   LYS  19          2HG       LYS  19   7.259  10.622  -7.700
  138   1HD   LYS  19          1HD       LYS  19   6.422  11.466  -5.528
  139   2HD   LYS  19          2HD       LYS  19   8.032  11.229  -4.847
  140   1HE   LYS  19          1HE       LYS  19   7.711  13.551  -5.481
  141   2HE   LYS  19          2HE       LYS  19   8.951  12.801  -6.485
  142   1HZ   LYS  19          1HZ       LYS  19   7.449  12.638  -8.288
  143   2HZ   LYS  19          2HZ       LYS  19   7.309  14.216  -7.695
  144   3HZ   LYS  19          3HZ       LYS  19   6.122  13.069  -7.331
  145    H    LEU  20           H        LEU  20   7.782   6.934  -5.184
  146    HA   LEU  20           HA       LEU  20   6.787   4.277  -5.870
  147   1HB   LEU  20          1HB       LEU  20   9.042   4.435  -4.936
  148   2HB   LEU  20          2HB       LEU  20   8.401   5.237  -3.502
  149    HG   LEU  20           HG       LEU  20   7.112   3.172  -2.985
  150   1HD1  LEU  20          1HD1      LEU  20   8.114   2.423  -5.601
  151   2HD1  LEU  20          2HD1      LEU  20   6.799   1.733  -4.651
  152   3HD1  LEU  20          3HD1      LEU  20   8.458   1.204  -4.374
  153   1HD2  LEU  20          1HD2      LEU  20   9.053   3.354  -1.735
  154   2HD2  LEU  20          2HD2      LEU  20  10.099   3.177  -3.145
  155   3HD2  LEU  20          3HD2      LEU  20   9.241   1.778  -2.502
  156    H    VAL  21           H        VAL  21   4.769   3.839  -5.385
  157    HA   VAL  21           HA       VAL  21   3.506   5.146  -3.083
  158    HB   VAL  21           HB       VAL  21   2.204   3.671  -5.377
  159   1HG1  VAL  21          1HG1      VAL  21   0.883   3.594  -3.326
  160   2HG1  VAL  21          2HG1      VAL  21   0.118   4.627  -4.536
  161   3HG1  VAL  21          3HG1      VAL  21   0.991   5.348  -3.183
  162   1HG2  VAL  21          1HG2      VAL  21   1.406   6.252  -5.609
  163   2HG2  VAL  21          2HG2      VAL  21   2.748   5.539  -6.504
  164   3HG2  VAL  21          3HG2      VAL  21   3.059   6.461  -5.032
  165    H    VAL  22           H        VAL  22   3.153   4.007  -1.294
  166    HA   VAL  22           HA       VAL  22   3.415   1.088  -1.412
  167    HB   VAL  22           HB       VAL  22   3.410   2.893   1.013
  168   1HG1  VAL  22          1HG1      VAL  22   2.694   0.707   1.639
  169   2HG1  VAL  22          2HG1      VAL  22   4.382   0.867   2.123
  170   3HG1  VAL  22          3HG1      VAL  22   3.963  -0.049   0.676
  171   1HG2  VAL  22          1HG2      VAL  22   5.431   2.470  -0.917
  172   2HG2  VAL  22          2HG2      VAL  22   5.915   1.610   0.545
  173   3HG2  VAL  22          3HG2      VAL  22   5.547   3.334   0.616
  174    H    VAL  23           H        VAL  23   1.429   0.371  -2.027
  175    HA   VAL  23           HA       VAL  23  -0.898   1.268  -0.482
  176    HB   VAL  23           HB       VAL  23  -0.863  -0.368  -3.018
  177   1HG1  VAL  23          1HG1      VAL  23  -3.215   0.149  -3.156
  178   2HG1  VAL  23          2HG1      VAL  23  -3.117   1.138  -1.699
  179   3HG1  VAL  23          3HG1      VAL  23  -2.874  -0.606  -1.599
  180   1HG2  VAL  23          1HG2      VAL  23  -0.600   2.510  -2.553
  181   2HG2  VAL  23          2HG2      VAL  23  -1.871   2.073  -3.691
  182   3HG2  VAL  23          3HG2      VAL  23  -0.214   1.550  -3.981
  183    H    ASP  24           H        ASP  24  -1.870  -0.029   0.929
  184    HA   ASP  24           HA       ASP  24  -0.876  -2.767   1.190
  185   1HB   ASP  24          1HB       ASP  24  -0.724  -1.325   3.180
  186   2HB   ASP  24          2HB       ASP  24  -2.474  -1.075   3.130
  187    H    PHE  25           H        PHE  25  -2.139  -4.503   0.800
  188    HA   PHE  25           HA       PHE  25  -4.885  -4.024  -0.057
  189   1HB   PHE  25          1HB       PHE  25  -2.911  -6.265  -0.466
  190   2HB   PHE  25          2HB       PHE  25  -4.614  -6.432  -0.885
  191    HD1  PHE  25           HD1      PHE  25  -2.022  -3.776  -1.401
  192    HD2  PHE  25           HD2      PHE  25  -4.984  -6.309  -3.099
  193    HE1  PHE  25           HE1      PHE  25  -1.533  -2.838  -3.623
  194    HE2  PHE  25           HE2      PHE  25  -4.519  -5.367  -5.319
  195    HZ   PHE  25           HZ       PHE  25  -2.798  -3.627  -5.587
  196    H    TYR  26           H        TYR  26  -4.742  -3.798   2.602
  197    HA   TYR  26           HA       TYR  26  -4.879  -6.071   4.177
  198   1HB   TYR  26          1HB       TYR  26  -6.389  -4.629   5.659
  199   2HB   TYR  26          2HB       TYR  26  -4.784  -4.010   5.304
  200    HD1  TYR  26           HD1      TYR  26  -8.113  -3.865   3.569
  201    HD2  TYR  26           HD2      TYR  26  -4.752  -1.713   5.044
  202    HE1  TYR  26           HE1      TYR  26  -9.087  -1.777   2.730
  203    HE2  TYR  26           HE2      TYR  26  -5.727   0.376   4.244
  204    HH   TYR  26           HH       TYR  26  -7.589   0.855   2.153
  205    H    ALA  27           H        ALA  27  -6.397  -7.598   4.608
  206    HA   ALA  27           HA       ALA  27  -8.416  -8.103   2.731
  207   1HB   ALA  27          1HB       ALA  27  -7.627  -9.975   3.882
  208   2HB   ALA  27          2HB       ALA  27  -9.257  -9.740   4.511
  209   3HB   ALA  27          3HB       ALA  27  -7.865  -9.221   5.458
  210    H    THR  28           H        THR  28 -10.725  -8.175   3.033
  211    HA   THR  28           HA       THR  28 -11.661  -5.805   4.399
  212    HB   THR  28           HB       THR  28 -12.506  -6.094   2.197
  213    HG1  THR  28           HG1      THR  28 -14.780  -6.293   2.646
  214   1HG2  THR  28          1HG2      THR  28 -13.961  -8.036   1.611
  215   2HG2  THR  28          2HG2      THR  28 -13.373  -8.837   3.069
  216   3HG2  THR  28          3HG2      THR  28 -12.248  -8.418   1.778
  217    H    TRP  29           H        TRP  29 -11.033  -8.753   5.513
  218    HA   TRP  29           HA       TRP  29 -13.349  -8.767   7.330
  219   1HB   TRP  29          1HB       TRP  29 -12.926 -11.304   7.440
  220   2HB   TRP  29          2HB       TRP  29 -13.716 -10.661   5.991
  221    HD1  TRP  29           HD1      TRP  29 -12.205 -10.526   3.741
  222    HE1  TRP  29           HE1      TRP  29 -10.145 -11.885   3.011
  223    HE3  TRP  29           HE3      TRP  29 -10.858 -12.454   8.278
  224    HZ2  TRP  29           HZ2      TRP  29  -8.199 -13.542   4.203
  225    HZ3  TRP  29           HZ3      TRP  29  -8.879 -13.907   8.401
  226    HH2  TRP  29           HH2      TRP  29  -7.578 -14.443   6.405
  227    H    CYS  30           H        CYS  30  -9.920  -9.486   6.913
  228    HA   CYS  30           HA       CYS  30  -8.967 -10.563   9.107
  229   1HB   CYS  30          1HB       CYS  30  -7.526  -9.509   7.441
  230   2HB   CYS  30          2HB       CYS  30  -7.964  -7.912   8.047
  231    HG   CYS  30           HG       CYS  30  -5.639  -9.275   8.990
  232    H    GLY  31           H        GLY  31  -9.171  -7.003   9.302
  233   1HA   GLY  31          1HA       GLY  31 -10.668  -6.075  11.071
  234   2HA   GLY  31          2HA       GLY  31 -10.037  -7.343  12.110
  235    HA   PRO  32           HA       PRO  32  -6.874  -4.739  13.700
  236   1HB   PRO  32          1HB       PRO  32  -4.610  -6.316  13.352
  237   2HB   PRO  32          2HB       PRO  32  -5.724  -6.415  14.718
  238   1HG   PRO  32          1HG       PRO  32  -5.589  -8.096  12.254
  239   2HG   PRO  32          2HG       PRO  32  -5.941  -8.576  13.925
  240   1HD   PRO  32          1HD       PRO  32  -7.892  -8.336  12.107
  241   2HD   PRO  32          2HD       PRO  32  -8.146  -7.854  13.798
  242    H    CYS  33           H        CYS  33  -6.546  -6.055  10.508
  243    HA   CYS  33           HA       CYS  33  -4.265  -4.810   9.559
  244   1HB   CYS  33          1HB       CYS  33  -5.305  -4.959   7.328
  245   2HB   CYS  33          2HB       CYS  33  -5.530  -6.447   8.257
  246    HG   CYS  33           HG       CYS  33  -7.983  -4.913   8.685
  247    H    LYS  34           H        LYS  34  -7.462  -3.481  10.114
  248    HA   LYS  34           HA       LYS  34  -7.138  -1.076   8.680
  249   1HB   LYS  34          1HB       LYS  34  -8.880  -1.638  11.087
  250   2HB   LYS  34          2HB       LYS  34  -9.041  -0.258  10.009
  251   1HG   LYS  34          1HG       LYS  34  -9.558  -1.760   8.156
  252   2HG   LYS  34          2HG       LYS  34  -9.389  -3.146   9.234
  253   1HD   LYS  34          1HD       LYS  34 -11.233  -2.292  10.608
  254   2HD   LYS  34          2HD       LYS  34 -11.404  -0.916   9.515
  255   1HE   LYS  34          1HE       LYS  34 -11.768  -3.821   8.785
  256   2HE   LYS  34          2HE       LYS  34 -13.060  -2.647   9.032
  257   1HZ   LYS  34          1HZ       LYS  34 -11.613  -1.390   7.199
  258   2HZ   LYS  34          2HZ       LYS  34 -12.873  -2.449   6.810
  259   3HZ   LYS  34          3HZ       LYS  34 -11.271  -2.990   6.767
  260    H    MET  35           H        MET  35  -5.920  -2.109  11.740
  261    HA   MET  35           HA       MET  35  -5.530   0.453  12.903
  262   1HB   MET  35          1HB       MET  35  -4.066  -2.143  13.411
  263   2HB   MET  35          2HB       MET  35  -3.981  -0.713  14.430
  264   1HG   MET  35          1HG       MET  35  -6.372  -0.904  14.896
  265   2HG   MET  35          2HG       MET  35  -6.450  -2.344  13.882
  266   1HE   MET  35          1HE       MET  35  -4.979  -0.774  17.170
  267   2HE   MET  35          2HE       MET  35  -3.537  -1.310  16.309
  268   3HE   MET  35          3HE       MET  35  -4.024  -2.115  17.801
  269    H    ILE  36           H        ILE  36  -4.131  -0.950  10.225
  270    HA   ILE  36           HA       ILE  36  -1.496   0.209  10.552
  271    HB   ILE  36           HB       ILE  36  -2.775  -1.326   8.294
  272   1HG1  ILE  36          1HG1      ILE  36  -0.613  -2.030  10.288
  273   2HG1  ILE  36          2HG1      ILE  36  -2.259  -2.658  10.270
  274   1HG2  ILE  36          1HG2      ILE  36  -0.119  -1.381   7.754
  275   2HG2  ILE  36          2HG2      ILE  36  -0.313   0.258   8.373
  276   3HG2  ILE  36          3HG2      ILE  36  -1.278  -0.284   7.000
  277   1HD1  ILE  36          1HD1      ILE  36  -0.048  -3.194   8.318
  278   2HD1  ILE  36          2HD1      ILE  36  -1.733  -3.594   7.989
  279   3HD1  ILE  36          3HD1      ILE  36  -0.901  -4.338   9.353
  280    H    ALA  37           H        ALA  37  -4.543   1.108   9.260
  281    HA   ALA  37           HA       ALA  37  -3.892   2.791   7.165
  282   1HB   ALA  37          1HB       ALA  37  -6.102   2.806   9.178
  283   2HB   ALA  37          2HB       ALA  37  -6.160   2.449   7.453
  284   3HB   ALA  37          3HB       ALA  37  -5.961   4.113   8.004
  285    HA   PRO  38           HA       PRO  38  -3.169   6.357  10.324
  286   1HB   PRO  38          1HB       PRO  38  -2.431   5.646  12.850
  287   2HB   PRO  38          2HB       PRO  38  -4.104   5.980  12.380
  288   1HG   PRO  38          1HG       PRO  38  -2.737   3.375  12.816
  289   2HG   PRO  38          2HG       PRO  38  -4.414   3.837  13.146
  290   1HD   PRO  38          1HD       PRO  38  -3.589   2.355  10.983
  291   2HD   PRO  38          2HD       PRO  38  -5.091   3.284  11.039
  292    H    MET  39           H        MET  39  -1.314   3.368  10.832
  293    HA   MET  39           HA       MET  39   1.174   4.621  11.242
  294   1HB   MET  39          1HB       MET  39   0.266   1.883  10.443
  295   2HB   MET  39          2HB       MET  39   1.959   2.300  10.323
  296   1HG   MET  39          1HG       MET  39   1.574   1.204  12.407
  297   2HG   MET  39          2HG       MET  39   1.957   2.895  12.713
  298   1HE   MET  39          1HE       MET  39  -0.432   2.381  15.618
  299   2HE   MET  39          2HE       MET  39   1.238   2.379  15.051
  300   3HE   MET  39          3HE       MET  39   0.283   0.897  14.991
  301    H    ILE  40           H        ILE  40  -0.238   3.045   8.380
  302    HA   ILE  40           HA       ILE  40   1.658   3.554   6.485
  303    HB   ILE  40           HB       ILE  40  -1.353   3.654   6.226
  304   1HG1  ILE  40          1HG1      ILE  40   0.698   1.536   5.555
  305   2HG1  ILE  40          2HG1      ILE  40  -0.431   1.508   6.902
  306   1HG2  ILE  40          1HG2      ILE  40   0.711   3.626   4.023
  307   2HG2  ILE  40          2HG2      ILE  40  -0.429   4.924   4.380
  308   3HG2  ILE  40          3HG2      ILE  40  -1.019   3.367   3.797
  309   1HD1  ILE  40          1HD1      ILE  40  -1.211   1.480   3.999
  310   2HD1  ILE  40          2HD1      ILE  40  -2.300   1.334   5.379
  311   3HD1  ILE  40          3HD1      ILE  40  -1.124   0.064   5.042
  312    H    GLU  41           H        GLU  41  -0.447   5.830   8.039
  313    HA   GLU  41           HA       GLU  41   0.013   7.967   6.169
  314   1HB   GLU  41          1HB       GLU  41  -2.081   7.854   7.386
  315   2HB   GLU  41          2HB       GLU  41  -1.232   7.910   8.923
  316   1HG   GLU  41          1HG       GLU  41  -0.461  10.174   8.406
  317   2HG   GLU  41          2HG       GLU  41  -1.317  10.112   6.866
  318    H    LYS  42           H        LYS  42   1.209   7.024   9.357
  319    HA   LYS  42           HA       LYS  42   2.712   9.343   9.883
  320   1HB   LYS  42          1HB       LYS  42   3.115   6.515  10.866
  321   2HB   LYS  42          2HB       LYS  42   3.920   7.931  11.527
  322   1HG   LYS  42          1HG       LYS  42   1.763   8.858  12.192
  323   2HG   LYS  42          2HG       LYS  42   0.947   7.448  11.513
  324   1HD   LYS  42          1HD       LYS  42   1.183   7.237  13.931
  325   2HD   LYS  42          2HD       LYS  42   2.130   6.003  13.098
  326   1HE   LYS  42          1HE       LYS  42   4.151   7.344  13.403
  327   2HE   LYS  42          2HE       LYS  42   3.207   8.591  14.219
  328   1HZ   LYS  42          1HZ       LYS  42   4.470   6.884  15.629
  329   2HZ   LYS  42          2HZ       LYS  42   3.221   5.818  15.226
  330   3HZ   LYS  42          3HZ       LYS  42   2.875   7.249  16.059
  331    H    PHE  43           H        PHE  43   3.423   6.478   7.999
  332    HA   PHE  43           HA       PHE  43   6.235   6.989   7.834
  333   1HB   PHE  43          1HB       PHE  43   4.425   5.164   6.254
  334   2HB   PHE  43          2HB       PHE  43   6.160   5.271   5.987
  335    HD1  PHE  43           HD1      PHE  43   3.792   4.806   8.837
  336    HD2  PHE  43           HD2      PHE  43   7.468   3.699   7.005
  337    HE1  PHE  43           HE1      PHE  43   4.168   3.143  10.611
  338    HE2  PHE  43           HE2      PHE  43   7.851   2.033   8.773
  339    HZ   PHE  43           HZ       PHE  43   6.201   1.752  10.578
  340    H    SER  44           H        SER  44   3.481   8.214   6.224
  341    HA   SER  44           HA       SER  44   4.746   8.901   3.761
  342   1HB   SER  44          1HB       SER  44   2.315   8.675   3.902
  343   2HB   SER  44          2HB       SER  44   2.244  10.017   5.055
  344    HG   SER  44           HG       SER  44   3.098  11.356   3.388
  345    H    GLU  45           H        GLU  45   5.178  10.086   6.851
  346    HA   GLU  45           HA       GLU  45   5.636  12.844   6.050
  347   1HB   GLU  45          1HB       GLU  45   6.003  11.481   8.723
  348   2HB   GLU  45          2HB       GLU  45   6.180  13.205   8.431
  349   1HG   GLU  45          1HG       GLU  45   3.831  13.341   7.789
  350   2HG   GLU  45          2HG       GLU  45   3.651  11.611   8.076
  351    H    GLN  46           H        GLN  46   7.420   9.926   6.653
  352    HA   GLN  46           HA       GLN  46   9.970  11.322   6.741
  353   1HB   GLN  46          1HB       GLN  46   9.269   8.390   6.911
  354   2HB   GLN  46          2HB       GLN  46  10.909   9.023   7.007
  355   1HG   GLN  46          1HG       GLN  46  10.301  10.305   8.987
  356   2HG   GLN  46          2HG       GLN  46   8.660   9.672   8.894
  357   1HE2  GLN  46          1HE2      GLN  46   8.283   8.111  10.277
  358   2HE2  GLN  46          2HE2      GLN  46   9.432   6.921  10.826
  359    H    TYR  47           H        TYR  47   8.024   9.498   4.499
  360    HA   TYR  47           HA       TYR  47  10.134   9.861   2.473
  361   1HB   TYR  47          1HB       TYR  47   8.154   7.584   2.673
  362   2HB   TYR  47          2HB       TYR  47   9.337   7.803   1.386
  363    HD1  TYR  47           HD1      TYR  47  11.825   7.871   2.091
  364    HD2  TYR  47           HD2      TYR  47   8.711   6.379   4.570
  365    HE1  TYR  47           HE1      TYR  47  13.485   6.621   3.408
  366    HE2  TYR  47           HE2      TYR  47  10.362   5.111   5.891
  367    HH   TYR  47           HH       TYR  47  13.740   5.621   5.577
  368    HA   PRO  48           HA       PRO  48   5.925  12.219   1.798
  369   1HB   PRO  48          1HB       PRO  48   8.176  13.943   0.842
  370   2HB   PRO  48          2HB       PRO  48   6.627  14.419   1.550
  371   1HG   PRO  48          1HG       PRO  48   8.893  14.346   3.003
  372   2HG   PRO  48          2HG       PRO  48   7.311  13.959   3.699
  373   1HD   PRO  48          1HD       PRO  48   9.581  12.183   3.151
  374   2HD   PRO  48          2HD       PRO  48   8.151  11.902   4.166
  375    H    GLN  49           H        GLN  49   8.813  11.825  -0.191
  376    HA   GLN  49           HA       GLN  49   7.688  12.307  -2.688
  377   1HB   GLN  49          1HB       GLN  49   9.898  10.361  -2.003
  378   2HB   GLN  49          2HB       GLN  49   9.529  10.946  -3.622
  379   1HG   GLN  49          1HG       GLN  49  10.064  13.222  -2.920
  380   2HG   GLN  49          2HG       GLN  49  10.428  12.638  -1.297
  381   1HE2  GLN  49          1HE2      GLN  49  11.806  13.614  -4.061
  382   2HE2  GLN  49          2HE2      GLN  49  13.293  12.738  -3.997
  383    H    ALA  50           H        ALA  50   7.647   9.410  -0.717
  384    HA   ALA  50           HA       ALA  50   6.343   7.871  -2.812
  385   1HB   ALA  50          1HB       ALA  50   6.316   6.092  -0.980
  386   2HB   ALA  50          2HB       ALA  50   7.315   7.207  -0.049
  387   3HB   ALA  50          3HB       ALA  50   7.890   6.591  -1.599
  388    H    ASP  51           H        ASP  51   4.214   7.396  -2.895
  389    HA   ASP  51           HA       ASP  51   2.462   8.831  -1.069
  390   1HB   ASP  51          1HB       ASP  51   1.824   7.232  -3.558
  391   2HB   ASP  51          2HB       ASP  51   0.672   8.198  -2.641
  392    H    PHE  52           H        PHE  52   1.581   7.907   0.637
  393    HA   PHE  52           HA       PHE  52   1.640   4.995   0.842
  394   1HB   PHE  52          1HB       PHE  52   1.284   7.147   2.934
  395   2HB   PHE  52          2HB       PHE  52   1.198   5.412   3.273
  396    HD1  PHE  52           HD1      PHE  52   3.475   7.789   1.506
  397    HD2  PHE  52           HD2      PHE  52   3.092   4.448   4.114
  398    HE1  PHE  52           HE1      PHE  52   5.921   7.709   1.760
  399    HE2  PHE  52           HE2      PHE  52   5.536   4.364   4.374
  400    HZ   PHE  52           HZ       PHE  52   6.955   5.997   3.195
  401    H    TYR  53           H        TYR  53  -0.143   4.576  -0.493
  402    HA   TYR  53           HA       TYR  53  -2.765   5.462   0.474
  403   1HB   TYR  53          1HB       TYR  53  -1.812   4.231  -2.103
  404   2HB   TYR  53          2HB       TYR  53  -3.522   4.253  -1.685
  405    HD1  TYR  53           HD1      TYR  53  -4.547   6.564  -1.130
  406    HD2  TYR  53           HD2      TYR  53  -0.860   6.056  -3.193
  407    HE1  TYR  53           HE1      TYR  53  -4.752   8.835  -2.045
  408    HE2  TYR  53           HE2      TYR  53  -1.052   8.330  -4.109
  409    HH   TYR  53           HH       TYR  53  -2.295  10.531  -3.331
  410    H    LYS  54           H        LYS  54  -4.436   3.491  -0.174
  411    HA   LYS  54           HA       LYS  54  -3.418   0.973   0.844
  412   1HB   LYS  54          1HB       LYS  54  -5.662   2.444   2.233
  413   2HB   LYS  54          2HB       LYS  54  -5.090   0.828   2.625
  414   1HG   LYS  54          1HG       LYS  54  -2.893   1.756   3.195
  415   2HG   LYS  54          2HG       LYS  54  -3.498   3.373   2.848
  416   1HD   LYS  54          1HD       LYS  54  -4.471   1.502   5.006
  417   2HD   LYS  54          2HD       LYS  54  -3.535   2.978   5.232
  418   1HE   LYS  54          1HE       LYS  54  -6.320   2.806   4.098
  419   2HE   LYS  54          2HE       LYS  54  -5.900   3.335   5.724
  420   1HZ   LYS  54          1HZ       LYS  54  -4.456   4.791   3.749
  421   2HZ   LYS  54          2HZ       LYS  54  -5.461   5.364   4.983
  422   3HZ   LYS  54          3HZ       LYS  54  -6.123   4.915   3.496
  423    H    LEU  55           H        LEU  55  -4.384  -0.728  -0.064
  424    HA   LEU  55           HA       LEU  55  -6.536  -0.204  -1.948
  425   1HB   LEU  55          1HB       LEU  55  -4.417  -1.499  -2.512
  426   2HB   LEU  55          2HB       LEU  55  -5.062  -2.794  -1.525
  427    HG   LEU  55           HG       LEU  55  -5.447  -3.144  -3.936
  428   1HD1  LEU  55          1HD1      LEU  55  -7.414  -4.176  -3.579
  429   2HD1  LEU  55          2HD1      LEU  55  -8.183  -2.722  -2.938
  430   3HD1  LEU  55          3HD1      LEU  55  -7.127  -3.689  -1.909
  431   1HD2  LEU  55          1HD2      LEU  55  -6.724  -1.737  -5.258
  432   2HD2  LEU  55          2HD2      LEU  55  -5.776  -0.606  -4.293
  433   3HD2  LEU  55          3HD2      LEU  55  -7.456  -0.932  -3.870
  434    H    ASP  56           H        ASP  56  -8.577  -0.817  -1.703
  435    HA   ASP  56           HA       ASP  56  -9.381  -2.052   0.773
  436   1HB   ASP  56          1HB       ASP  56 -10.866  -0.806  -1.536
  437   2HB   ASP  56          2HB       ASP  56 -11.679  -1.562  -0.174
  438    H    VAL  57           H        VAL  57  -9.871  -4.124   1.021
  439    HA   VAL  57           HA       VAL  57 -10.038  -5.836  -1.348
  440    HB   VAL  57           HB       VAL  57  -9.718  -6.563   1.582
  441   1HG1  VAL  57          1HG1      VAL  57  -8.908  -8.748   0.161
  442   2HG1  VAL  57          2HG1      VAL  57 -10.263  -8.182  -0.814
  443   3HG1  VAL  57          3HG1      VAL  57 -10.502  -8.560   0.891
  444   1HG2  VAL  57          1HG2      VAL  57  -7.706  -6.692  -0.677
  445   2HG2  VAL  57          2HG2      VAL  57  -7.422  -7.067   1.024
  446   3HG2  VAL  57          3HG2      VAL  57  -7.778  -5.410   0.533
  447    H    ASP  58           H        ASP  58 -12.204  -4.036  -0.139
  448    HA   ASP  58           HA       ASP  58 -14.257  -6.101   0.284
  449   1HB   ASP  58          1HB       ASP  58 -15.563  -4.385   1.434
  450   2HB   ASP  58          2HB       ASP  58 -13.969  -4.539   2.164
  451    H    GLU  59           H        GLU  59 -13.500  -3.122  -1.447
  452    HA   GLU  59           HA       GLU  59 -15.928  -3.427  -3.048
  453   1HB   GLU  59          1HB       GLU  59 -15.480  -1.220  -2.062
  454   2HB   GLU  59          2HB       GLU  59 -13.953  -1.145  -2.929
  455   1HG   GLU  59          1HG       GLU  59 -15.650   0.182  -4.038
  456   2HG   GLU  59          2HG       GLU  59 -15.142  -1.165  -5.053
  457    H    LEU  60           H        LEU  60 -12.609  -4.112  -3.199
  458    HA   LEU  60           HA       LEU  60 -12.645  -4.117  -6.127
  459   1HB   LEU  60          1HB       LEU  60 -10.323  -4.338  -4.228
  460   2HB   LEU  60          2HB       LEU  60 -10.196  -4.414  -5.974
  461    HG   LEU  60           HG       LEU  60 -11.250  -2.068  -5.969
  462   1HD1  LEU  60          1HD1      LEU  60 -11.491  -0.899  -4.064
  463   2HD1  LEU  60          2HD1      LEU  60 -10.084  -1.639  -3.305
  464   3HD1  LEU  60          3HD1      LEU  60 -11.621  -2.496  -3.334
  465   1HD2  LEU  60          1HD2      LEU  60  -9.074  -2.054  -6.660
  466   2HD2  LEU  60          2HD2      LEU  60  -8.484  -2.833  -5.191
  467   3HD2  LEU  60          3HD2      LEU  60  -8.926  -1.125  -5.169
  468    H    GLY  61           H        GLY  61 -11.105  -6.074  -3.674
  469   1HA   GLY  61          1HA       GLY  61 -11.018  -8.354  -3.352
  470   2HA   GLY  61          2HA       GLY  61 -12.452  -8.478  -4.360
  471    H    ASP  62           H        ASP  62 -11.869  -7.910  -6.789
  472    HA   ASP  62           HA       ASP  62 -10.410  -9.999  -7.818
  473   1HB   ASP  62          1HB       ASP  62 -10.944  -7.354  -9.100
  474   2HB   ASP  62          2HB       ASP  62 -10.455  -8.803  -9.956
  475    H    VAL  63           H        VAL  63  -9.316  -6.678  -7.238
  476    HA   VAL  63           HA       VAL  63  -6.791  -6.923  -8.418
  477    HB   VAL  63           HB       VAL  63  -7.402  -5.198  -6.018
  478   1HG1  VAL  63          1HG1      VAL  63  -5.040  -5.573  -7.275
  479   2HG1  VAL  63          2HG1      VAL  63  -5.504  -4.073  -6.472
  480   3HG1  VAL  63          3HG1      VAL  63  -5.700  -4.236  -8.216
  481   1HG2  VAL  63          1HG2      VAL  63  -8.781  -5.191  -8.448
  482   2HG2  VAL  63          2HG2      VAL  63  -7.640  -3.852  -8.559
  483   3HG2  VAL  63          3HG2      VAL  63  -8.782  -3.928  -7.219
  484    H    ALA  64           H        ALA  64  -7.685  -7.295  -4.964
  485    HA   ALA  64           HA       ALA  64  -5.192  -8.007  -3.950
  486   1HB   ALA  64          1HB       ALA  64  -6.301  -8.556  -2.058
  487   2HB   ALA  64          2HB       ALA  64  -7.487  -9.546  -2.908
  488   3HB   ALA  64          3HB       ALA  64  -7.660  -7.791  -2.884
  489    H    GLN  65           H        GLN  65  -7.373  -9.789  -5.978
  490    HA   GLN  65           HA       GLN  65  -5.981 -12.306  -5.565
  491   1HB   GLN  65          1HB       GLN  65  -8.415 -12.341  -5.788
  492   2HB   GLN  65          2HB       GLN  65  -8.297 -11.587  -7.371
  493   1HG   GLN  65          1HG       GLN  65  -8.710 -13.964  -7.570
  494   2HG   GLN  65          2HG       GLN  65  -7.127 -13.547  -8.226
  495   1HE2  GLN  65          1HE2      GLN  65  -8.714 -15.771  -6.465
  496   2HE2  GLN  65          2HE2      GLN  65  -7.414 -16.396  -5.514
  497    H    LYS  66           H        LYS  66  -6.361  -9.822  -8.063
  498    HA   LYS  66           HA       LYS  66  -5.060 -11.192 -10.134
  499   1HB   LYS  66          1HB       LYS  66  -5.012  -9.171 -11.310
  500   2HB   LYS  66          2HB       LYS  66  -6.416  -9.023 -10.269
  501   1HG   LYS  66          1HG       LYS  66  -5.475  -6.969 -10.003
  502   2HG   LYS  66          2HG       LYS  66  -4.733  -7.839  -8.668
  503   1HD   LYS  66          1HD       LYS  66  -3.072  -6.512  -9.841
  504   2HD   LYS  66          2HD       LYS  66  -2.731  -8.229 -10.039
  505   1HE   LYS  66          1HE       LYS  66  -2.443  -6.992 -12.132
  506   2HE   LYS  66          2HE       LYS  66  -3.729  -8.191 -12.256
  507   1HZ   LYS  66          1HZ       LYS  66  -4.291  -5.362 -11.603
  508   2HZ   LYS  66          2HZ       LYS  66  -5.364  -6.541 -12.168
  509   3HZ   LYS  66          3HZ       LYS  66  -4.188  -5.903 -13.202
  510    H    ASN  67           H        ASN  67  -3.803  -9.099  -7.582
  511    HA   ASN  67           HA       ASN  67  -1.086  -9.394  -8.494
  512   1HB   ASN  67          1HB       ASN  67  -2.331  -8.062  -6.082
  513   2HB   ASN  67          2HB       ASN  67  -0.605  -8.059  -6.433
  514   1HD2  ASN  67          1HD2      ASN  67  -3.310  -6.285  -6.645
  515   2HD2  ASN  67          2HD2      ASN  67  -2.903  -5.266  -8.000
  516    H    GLU  68           H        GLU  68  -3.176 -11.364  -6.888
  517    HA   GLU  68           HA       GLU  68  -2.946 -13.259  -5.668
  518   1HB   GLU  68          1HB       GLU  68   0.005 -12.875  -6.204
  519   2HB   GLU  68          2HB       GLU  68  -0.733 -14.338  -5.568
  520   1HG   GLU  68          1HG       GLU  68  -2.004 -14.598  -7.634
  521   2HG   GLU  68          2HG       GLU  68  -1.267 -13.129  -8.273
  522    H    VAL  69           H        VAL  69  -3.132 -10.780  -4.303
  523    HA   VAL  69           HA       VAL  69  -1.460 -11.311  -1.932
  524    HB   VAL  69           HB       VAL  69  -2.764  -8.692  -2.688
  525   1HG1  VAL  69          1HG1      VAL  69  -0.834  -9.453  -0.495
  526   2HG1  VAL  69          2HG1      VAL  69  -2.496  -8.887  -0.311
  527   3HG1  VAL  69          3HG1      VAL  69  -1.256  -7.794  -0.923
  528   1HG2  VAL  69          1HG2      VAL  69  -0.233  -8.077  -2.934
  529   2HG2  VAL  69          2HG2      VAL  69  -1.097  -8.841  -4.268
  530   3HG2  VAL  69          3HG2      VAL  69  -0.048  -9.805  -3.229
  531    H    SER  70           H        SER  70  -3.247 -12.959  -1.581
  532    HA   SER  70           HA       SER  70  -5.788 -11.899  -0.715
  533   1HB   SER  70          1HB       SER  70  -6.360 -14.229  -0.203
  534   2HB   SER  70          2HB       SER  70  -5.678 -14.089  -1.832
  535    HG   SER  70           HG       SER  70  -4.243 -14.873   0.491
  536    H    ALA  71           H        ALA  71  -2.744 -12.270   0.690
  537    HA   ALA  71           HA       ALA  71  -3.271 -13.070   3.297
  538   1HB   ALA  71          1HB       ALA  71  -1.149 -11.616   1.917
  539   2HB   ALA  71          2HB       ALA  71  -1.048 -12.855   3.168
  540   3HB   ALA  71          3HB       ALA  71  -1.321 -11.171   3.616
  541    H    MET  72           H        MET  72  -2.659 -11.133   5.095
  542    HA   MET  72           HA       MET  72  -4.059  -8.713   4.719
  543   1HB   MET  72          1HB       MET  72  -6.029  -9.060   6.018
  544   2HB   MET  72          2HB       MET  72  -5.975 -10.273   4.750
  545   1HG   MET  72          1HG       MET  72  -5.246 -10.697   7.632
  546   2HG   MET  72          2HG       MET  72  -6.737 -11.204   6.856
  547   1HE   MET  72          1HE       MET  72  -5.133 -13.120   3.931
  548   2HE   MET  72          2HE       MET  72  -6.510 -12.195   4.528
  549   3HE   MET  72          3HE       MET  72  -6.371 -13.912   4.905
  550    HA   PRO  73           HA       PRO  73  -3.407  -7.119   4.961
  551   1HB   PRO  73          1HB       PRO  73  -1.880  -5.065   5.695
  552   2HB   PRO  73          2HB       PRO  73  -3.446  -5.375   6.470
  553   1HG   PRO  73          1HG       PRO  73  -0.712  -5.806   7.502
  554   2HG   PRO  73          2HG       PRO  73  -2.213  -5.487   8.380
  555   1HD   PRO  73          1HD       PRO  73  -0.941  -8.010   7.939
  556   2HD   PRO  73          2HD       PRO  73  -2.474  -7.690   8.774
  557    H    THR  74           H        THR  74  -1.903  -6.049   3.359
  558    HA   THR  74           HA       THR  74   0.762  -7.275   3.309
  559    HB   THR  74           HB       THR  74  -1.110  -7.213   0.938
  560    HG1  THR  74           HG1      THR  74  -1.765  -9.082   1.578
  561   1HG2  THR  74          1HG2      THR  74   1.724  -7.662   1.138
  562   2HG2  THR  74          2HG2      THR  74   0.705  -7.522  -0.290
  563   3HG2  THR  74          3HG2      THR  74   0.896  -9.082   0.509
  564    H    LEU  75           H        LEU  75   2.313  -6.159   1.998
  565    HA   LEU  75           HA       LEU  75   1.552  -3.368   1.437
  566   1HB   LEU  75          1HB       LEU  75   4.247  -4.469   2.231
  567   2HB   LEU  75          2HB       LEU  75   3.906  -2.790   1.862
  568    HG   LEU  75           HG       LEU  75   2.789  -4.356   4.187
  569   1HD1  LEU  75          1HD1      LEU  75   4.127  -2.288   5.252
  570   2HD1  LEU  75          2HD1      LEU  75   5.104  -2.577   3.813
  571   3HD1  LEU  75          3HD1      LEU  75   4.841  -3.876   4.975
  572   1HD2  LEU  75          1HD2      LEU  75   2.154  -1.881   4.811
  573   2HD2  LEU  75          2HD2      LEU  75   1.093  -2.865   3.801
  574   3HD2  LEU  75          3HD2      LEU  75   2.162  -1.674   3.059
  575    H    LEU  76           H        LEU  76   1.685  -2.715  -0.606
  576    HA   LEU  76           HA       LEU  76   3.418  -4.228  -2.448
  577   1HB   LEU  76          1HB       LEU  76   0.692  -3.044  -2.981
  578   2HB   LEU  76          2HB       LEU  76   1.753  -3.672  -4.239
  579    HG   LEU  76           HG       LEU  76   0.368  -5.201  -2.045
  580   1HD1  LEU  76          1HD1      LEU  76   0.234  -6.271  -4.716
  581   2HD1  LEU  76          2HD1      LEU  76  -0.327  -4.600  -4.672
  582   3HD1  LEU  76          3HD1      LEU  76  -1.067  -5.807  -3.620
  583   1HD2  LEU  76          1HD2      LEU  76   2.700  -6.001  -3.750
  584   2HD2  LEU  76          2HD2      LEU  76   1.550  -7.197  -3.153
  585   3HD2  LEU  76          3HD2      LEU  76   2.468  -6.213  -2.015
  586    H    LEU  77           H        LEU  77   4.877  -3.086  -3.544
  587    HA   LEU  77           HA       LEU  77   4.668  -0.150  -3.476
  588   1HB   LEU  77          1HB       LEU  77   7.120  -1.894  -3.737
  589   2HB   LEU  77          2HB       LEU  77   7.122  -0.143  -3.763
  590    HG   LEU  77           HG       LEU  77   6.247  -0.132  -1.443
  591   1HD1  LEU  77          1HD1      LEU  77   6.366  -3.081  -1.866
  592   2HD1  LEU  77          2HD1      LEU  77   5.135  -2.106  -1.063
  593   3HD1  LEU  77          3HD1      LEU  77   6.672  -2.423  -0.259
  594   1HD2  LEU  77          1HD2      LEU  77   8.856  -1.417  -2.132
  595   2HD2  LEU  77          2HD2      LEU  77   8.396  -1.181  -0.446
  596   3HD2  LEU  77          3HD2      LEU  77   8.532   0.207  -1.526
  597    H    PHE  78           H        PHE  78   5.067   1.048  -5.351
  598    HA   PHE  78           HA       PHE  78   5.474  -0.410  -7.863
  599   1HB   PHE  78          1HB       PHE  78   3.130   1.445  -7.359
  600   2HB   PHE  78          2HB       PHE  78   3.488   0.624  -8.870
  601    HD1  PHE  78           HD1      PHE  78   3.510  -1.958  -8.813
  602    HD2  PHE  78           HD2      PHE  78   1.760   0.463  -5.783
  603    HE1  PHE  78           HE1      PHE  78   2.164  -3.878  -8.061
  604    HE2  PHE  78           HE2      PHE  78   0.412  -1.452  -5.028
  605    HZ   PHE  78           HZ       PHE  78   0.609  -3.622  -6.166
  606    H    LYS  79           H        LYS  79   6.832   0.714  -9.218
  607    HA   LYS  79           HA       LYS  79   7.181   3.599  -8.646
  608   1HB   LYS  79          1HB       LYS  79   9.094   1.530  -9.684
  609   2HB   LYS  79          2HB       LYS  79   9.372   3.238  -9.978
  610   1HG   LYS  79          1HG       LYS  79   9.049   2.005  -7.253
  611   2HG   LYS  79          2HG       LYS  79  10.593   2.369  -8.023
  612   1HD   LYS  79          1HD       LYS  79   8.443   4.357  -7.294
  613   2HD   LYS  79          2HD       LYS  79   9.986   4.130  -6.469
  614   1HE   LYS  79          1HE       LYS  79  11.161   4.769  -8.535
  615   2HE   LYS  79          2HE       LYS  79   9.605   5.052  -9.315
  616   1HZ   LYS  79          1HZ       LYS  79   9.407   6.542  -7.083
  617   2HZ   LYS  79          2HZ       LYS  79   9.889   7.133  -8.593
  618   3HZ   LYS  79          3HZ       LYS  79  11.054   6.701  -7.443
  619    H    ASN  80           H        ASN  80   6.791   5.092 -10.193
  620    HA   ASN  80           HA       ASN  80   5.839   5.926 -12.098
  621   1HB   ASN  80          1HB       ASN  80   7.912   4.081 -13.298
  622   2HB   ASN  80          2HB       ASN  80   7.131   5.417 -14.141
  623   1HD2  ASN  80          1HD2      ASN  80   8.342   7.146 -14.269
  624   2HD2  ASN  80          2HD2      ASN  80   9.495   7.680 -13.100
  625    H    GLY  81           H        GLY  81   3.960   4.376 -11.335
  626   1HA   GLY  81          1HA       GLY  81   2.179   3.085 -11.959
  627   2HA   GLY  81          2HA       GLY  81   2.609   3.515 -13.608
  628    H    LYS  82           H        LYS  82   4.999   1.855 -11.790
  629    HA   LYS  82           HA       LYS  82   4.277  -0.673 -13.118
  630   1HB   LYS  82          1HB       LYS  82   7.057   0.435 -12.670
  631   2HB   LYS  82          2HB       LYS  82   6.689  -1.136 -13.360
  632   1HG   LYS  82          1HG       LYS  82   5.580  -0.061 -15.246
  633   2HG   LYS  82          2HG       LYS  82   5.948   1.520 -14.557
  634   1HD   LYS  82          1HD       LYS  82   8.341   1.038 -14.723
  635   2HD   LYS  82          2HD       LYS  82   7.974  -0.546 -15.407
  636   1HE   LYS  82          1HE       LYS  82   6.874   0.534 -17.309
  637   2HE   LYS  82          2HE       LYS  82   7.242   2.116 -16.624
  638   1HZ   LYS  82          1HZ       LYS  82   9.386   1.989 -17.255
  639   2HZ   LYS  82          2HZ       LYS  82   8.786   0.903 -18.406
  640   3HZ   LYS  82          3HZ       LYS  82   9.501   0.323 -16.988
  641    H    GLU  83           H        GLU  83   6.405  -2.131 -11.894
  642    HA   GLU  83           HA       GLU  83   5.390  -2.231  -9.135
  643   1HB   GLU  83          1HB       GLU  83   4.935  -4.210 -10.549
  644   2HB   GLU  83          2HB       GLU  83   6.656  -4.395 -10.839
  645   1HG   GLU  83          1HG       GLU  83   7.054  -4.999  -8.579
  646   2HG   GLU  83          2HG       GLU  83   5.411  -4.556  -8.107
  647    H    VAL  84           H        VAL  84   7.156  -3.380  -7.664
  648    HA   VAL  84           HA       VAL  84   9.887  -2.833  -8.263
  649    HB   VAL  84           HB       VAL  84  10.181  -1.269  -6.265
  650   1HG1  VAL  84          1HG1      VAL  84  10.032  -0.813  -8.913
  651   2HG1  VAL  84          2HG1      VAL  84  10.404   0.428  -7.720
  652   3HG1  VAL  84          3HG1      VAL  84   8.758   0.260  -8.333
  653   1HG2  VAL  84          1HG2      VAL  84   7.305  -1.488  -6.336
  654   2HG2  VAL  84          2HG2      VAL  84   7.824   0.191  -6.480
  655   3HG2  VAL  84          3HG2      VAL  84   8.351  -0.782  -5.106
  656    H    ALA  85           H        ALA  85   7.527  -3.312  -5.638
  657    HA   ALA  85           HA       ALA  85   8.880  -5.686  -4.791
  658   1HB   ALA  85          1HB       ALA  85   9.299  -4.764  -2.439
  659   2HB   ALA  85          2HB       ALA  85   9.215  -3.172  -3.193
  660   3HB   ALA  85          3HB       ALA  85  10.440  -4.331  -3.712
  661    H    LYS  86           H        LYS  86   7.826  -6.768  -3.026
  662    HA   LYS  86           HA       LYS  86   5.293  -5.724  -2.090
  663   1HB   LYS  86          1HB       LYS  86   4.012  -7.689  -2.869
  664   2HB   LYS  86          2HB       LYS  86   4.619  -6.715  -4.200
  665   1HG   LYS  86          1HG       LYS  86   6.452  -8.313  -4.520
  666   2HG   LYS  86          2HG       LYS  86   5.805  -9.299  -3.207
  667   1HD   LYS  86          1HD       LYS  86   3.725  -9.602  -4.462
  668   2HD   LYS  86          2HD       LYS  86   4.376  -8.619  -5.776
  669   1HE   LYS  86          1HE       LYS  86   6.175 -10.246  -6.098
  670   2HE   LYS  86          2HE       LYS  86   5.529 -11.225  -4.782
  671   1HZ   LYS  86          1HZ       LYS  86   4.927 -11.675  -7.301
  672   2HZ   LYS  86          2HZ       LYS  86   3.706 -10.556  -6.959
  673   3HZ   LYS  86          3HZ       LYS  86   3.828 -11.975  -6.049
  674    H    VAL  87           H        VAL  87   5.376  -6.097   0.017
  675    HA   VAL  87           HA       VAL  87   6.268  -8.737   0.948
  676    HB   VAL  87           HB       VAL  87   7.089  -6.122   2.224
  677   1HG1  VAL  87          1HG1      VAL  87   8.675  -8.011   3.327
  678   2HG1  VAL  87          2HG1      VAL  87   7.187  -8.930   3.100
  679   3HG1  VAL  87          3HG1      VAL  87   7.169  -7.442   4.047
  680   1HG2  VAL  87          1HG2      VAL  87   8.557  -6.172   0.494
  681   2HG2  VAL  87          2HG2      VAL  87   8.411  -7.917   0.275
  682   3HG2  VAL  87          3HG2      VAL  87   9.409  -7.271   1.578
  683    H    VAL  88           H        VAL  88   4.440  -9.569   1.749
  684    HA   VAL  88           HA       VAL  88   2.349  -8.041   2.884
  685    HB   VAL  88           HB       VAL  88   1.812 -10.166   1.909
  686   1HG1  VAL  88          1HG1      VAL  88   2.708 -12.140   3.631
  687   2HG1  VAL  88          2HG1      VAL  88   4.097 -11.065   3.467
  688   3HG1  VAL  88          3HG1      VAL  88   3.357 -11.773   2.032
  689   1HG2  VAL  88          1HG2      VAL  88   0.660 -11.304   3.835
  690   2HG2  VAL  88          2HG2      VAL  88   0.315  -9.584   3.661
  691   3HG2  VAL  88          3HG2      VAL  88   1.438 -10.137   4.901
  692    H    GLY  89           H        GLY  89   2.931  -6.794   4.587
  693   1HA   GLY  89          1HA       GLY  89   2.754  -7.392   7.136
  694   2HA   GLY  89          2HA       GLY  89   4.369  -8.014   6.828
  695    H    ALA  90           H        ALA  90   2.507  -5.271   7.572
  696    HA   ALA  90           HA       ALA  90   4.662  -3.418   6.877
  697   1HB   ALA  90          1HB       ALA  90   2.106  -2.543   8.144
  698   2HB   ALA  90          2HB       ALA  90   2.117  -3.032   6.449
  699   3HB   ALA  90          3HB       ALA  90   3.134  -1.696   6.988
  700    H    ASN  91           H        ASN  91   5.132  -5.288   8.965
  701    HA   ASN  91           HA       ASN  91   4.820  -4.001  11.482
  702   1HB   ASN  91          1HB       ASN  91   6.302  -5.847  12.230
  703   2HB   ASN  91          2HB       ASN  91   4.891  -6.412  11.363
  704   1HD2  ASN  91          1HD2      ASN  91   8.068  -6.909  11.756
  705   2HD2  ASN  91          2HD2      ASN  91   8.472  -7.570  10.212
  706    HA   PRO  92           HA       PRO  92   8.137  -1.043  11.284
  707   1HB   PRO  92          1HB       PRO  92   8.580  -2.075  14.064
  708   2HB   PRO  92          2HB       PRO  92   8.556  -0.405  13.478
  709   1HG   PRO  92          1HG       PRO  92   6.438  -1.383  14.723
  710   2HG   PRO  92          2HG       PRO  92   6.236  -0.373  13.278
  711   1HD   PRO  92          1HD       PRO  92   5.934  -3.323  13.582
  712   2HD   PRO  92          2HD       PRO  92   5.056  -2.200  12.525
  713    H    ALA  93           H        ALA  93   9.368  -2.343   9.769
  714    HA   ALA  93           HA       ALA  93  11.945  -2.970  10.630
  715   1HB   ALA  93          1HB       ALA  93  10.293  -4.975  11.423
  716   2HB   ALA  93          2HB       ALA  93  12.017  -5.161  11.103
  717   3HB   ALA  93          3HB       ALA  93  10.839  -5.575   9.857
  718    H    ALA  94           H        ALA  94   9.404  -3.632   8.260
  719    HA   ALA  94           HA       ALA  94  11.456  -3.430   6.159
  720   1HB   ALA  94          1HB       ALA  94  10.689  -5.241   5.060
  721   2HB   ALA  94          2HB       ALA  94   9.007  -4.903   5.466
  722   3HB   ALA  94          3HB       ALA  94  10.058  -5.688   6.645
  723    H    ILE  95           H        ILE  95   8.060  -2.817   6.980
  724    HA   ILE  95           HA       ILE  95   7.246  -1.537   4.682
  725    HB   ILE  95           HB       ILE  95   5.692  -1.994   6.460
  726   1HG1  ILE  95          1HG1      ILE  95   4.460   0.105   6.555
  727   2HG1  ILE  95          2HG1      ILE  95   5.904   1.002   6.097
  728   1HG2  ILE  95          1HG2      ILE  95   6.607  -1.770   8.508
  729   2HG2  ILE  95          2HG2      ILE  95   5.863  -0.173   8.421
  730   3HG2  ILE  95          3HG2      ILE  95   7.573  -0.369   8.042
  731   1HD1  ILE  95          1HD1      ILE  95   5.017   0.891   4.048
  732   2HD1  ILE  95          2HD1      ILE  95   4.001  -0.492   4.451
  733   3HD1  ILE  95          3HD1      ILE  95   5.695  -0.734   4.033
  734    H    LYS  96           H        LYS  96   9.659  -0.518   6.895
  735    HA   LYS  96           HA       LYS  96   9.483   2.278   6.059
  736   1HB   LYS  96          1HB       LYS  96  11.296   2.664   7.682
  737   2HB   LYS  96          2HB       LYS  96   9.913   1.870   8.420
  738   1HG   LYS  96          1HG       LYS  96  11.092  -0.285   8.253
  739   2HG   LYS  96          2HG       LYS  96  12.491   0.559   7.586
  740   1HD   LYS  96          1HD       LYS  96  11.275   1.036  10.305
  741   2HD   LYS  96          2HD       LYS  96  12.756   0.132   9.981
  742   1HE   LYS  96          1HE       LYS  96  13.771   2.151   9.033
  743   2HE   LYS  96          2HE       LYS  96  12.292   3.050   9.367
  744   1HZ   LYS  96          1HZ       LYS  96  12.650   2.941  11.646
  745   2HZ   LYS  96          2HZ       LYS  96  14.200   3.220  11.031
  746   3HZ   LYS  96          3HZ       LYS  96  13.755   1.665  11.527
  747    H    GLN  97           H        GLN  97  11.837  -0.380   6.011
  748    HA   GLN  97           HA       GLN  97  13.733   0.996   4.421
  749   1HB   GLN  97          1HB       GLN  97  13.346  -1.976   4.822
  750   2HB   GLN  97          2HB       GLN  97  14.771  -1.222   4.120
  751   1HG   GLN  97          1HG       GLN  97  15.202  -0.072   6.231
  752   2HG   GLN  97          2HG       GLN  97  13.774  -0.825   6.933
  753   1HE2  GLN  97          1HE2      GLN  97  15.066  -3.089   4.919
  754   2HE2  GLN  97          2HE2      GLN  97  16.068  -3.931   6.043
  755    H    ALA  98           H        ALA  98  10.952  -0.991   3.714
  756    HA   ALA  98           HA       ALA  98  11.461  -1.621   1.038
  757   1HB   ALA  98          1HB       ALA  98   9.292  -2.328   0.931
  758   2HB   ALA  98          2HB       ALA  98   8.679  -0.942   1.834
  759   3HB   ALA  98          3HB       ALA  98   9.487  -2.259   2.682
  760    H    ILE  99           H        ILE  99  10.399   1.334   2.532
  761    HA   ILE  99           HA       ILE  99   9.770   2.595  -0.003
  762    HB   ILE  99           HB       ILE  99   9.619   3.534   2.864
  763   1HG1  ILE  99          1HG1      ILE  99   7.206   3.606   2.384
  764   2HG1  ILE  99          2HG1      ILE  99   7.518   3.049   0.747
  765   1HG2  ILE  99          1HG2      ILE  99  10.256   5.456   1.543
  766   2HG2  ILE  99          2HG2      ILE  99   8.553   5.589   1.979
  767   3HG2  ILE  99          3HG2      ILE  99   9.010   5.094   0.350
  768   1HD1  ILE  99          1HD1      ILE  99   7.783   0.912   1.382
  769   2HD1  ILE  99          2HD1      ILE  99   6.803   1.438   2.751
  770   3HD1  ILE  99          3HD1      ILE  99   8.556   1.348   2.906
  771    H    ALA 100           H        ALA 100  12.529   2.086   1.853
  772    HA   ALA 100           HA       ALA 100  13.808   4.600   1.147
  773   1HB   ALA 100          1HB       ALA 100  14.071   3.053   3.331
  774   2HB   ALA 100          2HB       ALA 100  15.318   4.163   2.765
  775   3HB   ALA 100          3HB       ALA 100  15.415   2.448   2.363
  776    H    ALA 101           H        ALA 101  14.773   1.183   0.839
  777    HA   ALA 101           HA       ALA 101  16.741   1.534  -1.073
  778   1HB   ALA 101          1HB       ALA 101  16.119  -0.556   0.281
  779   2HB   ALA 101          2HB       ALA 101  16.738  -0.780  -1.355
  780   3HB   ALA 101          3HB       ALA 101  15.008  -0.913  -1.042
  781    H    ASN 102           H        ASN 102  13.277   1.500  -1.470
  782    HA   ASN 102           HA       ASN 102  13.470   1.210  -4.347
  783   1HB   ASN 102          1HB       ASN 102  11.215   1.388  -2.373
  784   2HB   ASN 102          2HB       ASN 102  10.922   1.595  -4.100
  785   1HD2  ASN 102          1HD2      ASN 102  10.868  -0.584  -1.688
  786   2HD2  ASN 102          2HD2      ASN 102  11.108  -2.040  -2.585
  787    H    ALA 103           H        ALA 103  12.006   3.628  -2.151
  788    HA   ALA 103           HA       ALA 103  11.617   5.591  -4.105
  789   1HB   ALA 103          1HB       ALA 103  10.656   5.492  -1.751
  790   2HB   ALA 103          2HB       ALA 103  11.135   7.080  -2.351
  791   3HB   ALA 103          3HB       ALA 103  12.173   6.214  -1.219
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -0.385  12.021   2.512
    2   2H    MET   1          2H        MET   1   0.167  11.533   4.063
    3   3H    MET   1          3H        MET   1  -0.432  13.124   3.823
    4    HA   MET   1           HA       MET   1  -1.973  11.634   4.958
    5   1HB   MET   1          1HB       MET   1  -3.884  12.332   3.566
    6   2HB   MET   1          2HB       MET   1  -2.712  13.627   3.760
    7   1HG   MET   1          1HG       MET   1  -1.812  13.142   1.539
    8   2HG   MET   1          2HG       MET   1  -2.999  11.853   1.345
    9   1HE   MET   1          1HE       MET   1  -2.453  15.393   2.326
   10   2HE   MET   1          2HE       MET   1  -4.107  15.634   2.894
   11   3HE   MET   1          3HE       MET   1  -3.586  16.343   1.364
   12    H    VAL   2           H        VAL   2  -3.258   9.810   4.920
   13    HA   VAL   2           HA       VAL   2  -2.568   7.844   2.848
   14    HB   VAL   2           HB       VAL   2  -3.753   7.363   5.587
   15   1HG1  VAL   2          1HG1      VAL   2  -2.653   5.013   4.824
   16   2HG1  VAL   2          2HG1      VAL   2  -3.210   5.635   3.270
   17   3HG1  VAL   2          3HG1      VAL   2  -4.351   5.431   4.598
   18   1HG2  VAL   2          1HG2      VAL   2  -0.921   7.119   4.581
   19   2HG2  VAL   2          2HG2      VAL   2  -1.491   6.442   6.107
   20   3HG2  VAL   2          3HG2      VAL   2  -1.521   8.188   5.850
   21    H    THR   3           H        THR   3  -4.147   6.703   1.750
   22    HA   THR   3           HA       THR   3  -6.948   7.205   2.341
   23    HB   THR   3           HB       THR   3  -5.720   7.964  -0.316
   24    HG1  THR   3           HG1      THR   3  -5.408   9.561   1.227
   25   1HG2  THR   3          1HG2      THR   3  -7.831   8.562  -1.107
   26   2HG2  THR   3          2HG2      THR   3  -8.569   8.408   0.489
   27   3HG2  THR   3          3HG2      THR   3  -8.055   6.966  -0.388
   28    H    GLN   4           H        GLN   4  -8.352   5.691   1.470
   29    HA   GLN   4           HA       GLN   4  -7.104   3.189   0.637
   30   1HB   GLN   4          1HB       GLN   4 -10.045   3.695   1.052
   31   2HB   GLN   4          2HB       GLN   4  -9.186   2.165   1.144
   32   1HG   GLN   4          1HG       GLN   4  -8.075   2.893   3.181
   33   2HG   GLN   4          2HG       GLN   4  -8.900   4.446   3.088
   34   1HE2  GLN   4          1HE2      GLN   4  -8.924   1.598   4.623
   35   2HE2  GLN   4          2HE2      GLN   4 -10.599   1.476   5.033
   36    H    PHE   5           H        PHE   5  -8.510   1.911  -1.042
   37    HA   PHE   5           HA       PHE   5  -9.259   3.738  -3.221
   38   1HB   PHE   5          1HB       PHE   5  -7.710   1.156  -3.408
   39   2HB   PHE   5          2HB       PHE   5  -8.457   1.942  -4.806
   40    HD1  PHE   5           HD1      PHE   5  -7.879   4.805  -3.948
   41    HD2  PHE   5           HD2      PHE   5  -5.456   1.303  -4.079
   42    HE1  PHE   5           HE1      PHE   5  -5.879   6.205  -4.278
   43    HE2  PHE   5           HE2      PHE   5  -3.459   2.700  -4.405
   44    HZ   PHE   5           HZ       PHE   5  -3.666   5.147  -4.509
   45    H    LYS   6           H        LYS   6 -11.247   3.531  -3.923
   46    HA   LYS   6           HA       LYS   6 -12.723   1.066  -3.286
   47   1HB   LYS   6          1HB       LYS   6 -13.766   3.859  -3.795
   48   2HB   LYS   6          2HB       LYS   6 -14.764   2.452  -3.458
   49   1HG   LYS   6          1HG       LYS   6 -12.741   3.671  -1.592
   50   2HG   LYS   6          2HG       LYS   6 -14.494   3.825  -1.477
   51   1HD   LYS   6          1HD       LYS   6 -14.691   1.409  -1.162
   52   2HD   LYS   6          2HD       LYS   6 -12.940   1.245  -1.298
   53   1HE   LYS   6          1HE       LYS   6 -14.417   2.796   0.825
   54   2HE   LYS   6          2HE       LYS   6 -13.661   1.217   1.038
   55   1HZ   LYS   6          1HZ       LYS   6 -11.616   2.640   0.088
   56   2HZ   LYS   6          2HZ       LYS   6 -11.941   2.458   1.737
   57   3HZ   LYS   6          3HZ       LYS   6 -12.451   3.850   0.926
   58    H    THR   7           H        THR   7 -11.669   3.176  -5.814
   59    HA   THR   7           HA       THR   7 -12.938   1.402  -7.786
   60    HB   THR   7           HB       THR   7 -13.251   3.349  -9.276
   61    HG1  THR   7           HG1      THR   7 -12.261   4.759  -7.036
   62   1HG2  THR   7          1HG2      THR   7 -14.573   4.136  -6.724
   63   2HG2  THR   7          2HG2      THR   7 -15.006   2.622  -7.516
   64   3HG2  THR   7          3HG2      THR   7 -15.203   4.152  -8.370
   65    H    ALA   8           H        ALA   8 -11.484   0.454  -9.061
   66    HA   ALA   8           HA       ALA   8  -8.760   0.768  -8.867
   67   1HB   ALA   8          1HB       ALA   8  -9.270  -1.179  -9.933
   68   2HB   ALA   8          2HB       ALA   8  -8.861  -0.197 -11.340
   69   3HB   ALA   8          3HB       ALA   8 -10.550  -0.443 -10.898
   70    H    SER   9           H        SER   9 -11.002   2.671 -10.682
   71    HA   SER   9           HA       SER   9  -9.313   3.845 -12.572
   72   1HB   SER   9          1HB       SER   9 -11.805   4.130 -12.446
   73   2HB   SER   9          2HB       SER   9 -11.559   5.203 -11.065
   74    HG   SER   9           HG       SER   9 -10.561   6.664 -12.371
   75    H    GLU  10           H        GLU  10  -9.453   4.173  -9.156
   76    HA   GLU  10           HA       GLU  10  -8.063   6.696  -9.128
   77   1HB   GLU  10          1HB       GLU  10  -9.873   6.225  -7.517
   78   2HB   GLU  10          2HB       GLU  10  -8.898   4.926  -6.843
   79   1HG   GLU  10          1HG       GLU  10  -8.794   6.939  -5.492
   80   2HG   GLU  10          2HG       GLU  10  -7.216   6.510  -6.148
   81    H    PHE  11           H        PHE  11  -7.489   3.380  -8.155
   82    HA   PHE  11           HA       PHE  11  -4.797   3.866  -7.334
   83   1HB   PHE  11          1HB       PHE  11  -6.335   2.027  -6.467
   84   2HB   PHE  11          2HB       PHE  11  -6.010   1.180  -7.973
   85    HD1  PHE  11           HD1      PHE  11  -5.373  -0.452  -5.938
   86    HD2  PHE  11           HD2      PHE  11  -3.086   2.904  -7.225
   87    HE1  PHE  11           HE1      PHE  11  -3.358  -1.431  -4.922
   88    HE2  PHE  11           HE2      PHE  11  -1.076   1.922  -6.218
   89    HZ   PHE  11           HZ       PHE  11  -1.212  -0.243  -5.062
   90    H    ASP  12           H        ASP  12  -6.374   3.095 -10.306
   91    HA   ASP  12           HA       ASP  12  -4.249   1.862 -11.680
   92   1HB   ASP  12          1HB       ASP  12  -6.575   1.826 -12.487
   93   2HB   ASP  12          2HB       ASP  12  -6.499   3.559 -12.784
   94    H    SER  13           H        SER  13  -5.124   5.243 -11.209
   95    HA   SER  13           HA       SER  13  -2.960   6.154 -12.917
   96   1HB   SER  13          1HB       SER  13  -4.936   7.712 -11.232
   97   2HB   SER  13          2HB       SER  13  -3.783   8.419 -12.363
   98    HG   SER  13           HG       SER  13  -5.530   8.215 -13.594
   99    H    ALA  14           H        ALA  14  -3.599   5.651  -9.544
  100    HA   ALA  14           HA       ALA  14  -1.818   7.365  -8.316
  101   1HB   ALA  14          1HB       ALA  14  -2.184   6.165  -6.436
  102   2HB   ALA  14          2HB       ALA  14  -1.912   4.617  -7.238
  103   3HB   ALA  14          3HB       ALA  14  -3.457   5.447  -7.423
  104    H    ILE  15           H        ILE  15  -1.171   4.415 -10.079
  105    HA   ILE  15           HA       ILE  15   1.635   4.411  -9.299
  106    HB   ILE  15           HB       ILE  15   1.832   2.379 -10.640
  107   1HG1  ILE  15          1HG1      ILE  15  -1.102   2.837 -11.239
  108   2HG1  ILE  15          2HG1      ILE  15   0.221   2.857 -12.402
  109   1HG2  ILE  15          1HG2      ILE  15   0.658   2.642  -8.228
  110   2HG2  ILE  15          2HG2      ILE  15   1.004   1.091  -8.990
  111   3HG2  ILE  15          3HG2      ILE  15  -0.611   1.789  -9.107
  112   1HD1  ILE  15          1HD1      ILE  15  -1.383   0.705 -11.750
  113   2HD1  ILE  15          2HD1      ILE  15   0.143   0.375 -10.930
  114   3HD1  ILE  15          3HD1      ILE  15   0.120   0.662 -12.671
  115    H    ALA  16           H        ALA  16  -0.275   4.758 -12.272
  116    HA   ALA  16           HA       ALA  16   1.644   5.008 -14.159
  117   1HB   ALA  16          1HB       ALA  16  -1.067   5.729 -13.941
  118   2HB   ALA  16          2HB       ALA  16  -0.107   5.540 -15.407
  119   3HB   ALA  16          3HB       ALA  16  -0.225   7.117 -14.628
  120    H    GLN  17           H        GLN  17   3.565   5.922 -13.651
  121    HA   GLN  17           HA       GLN  17   5.121   7.502 -13.123
  122   1HB   GLN  17          1HB       GLN  17   3.166   9.133 -14.747
  123   2HB   GLN  17          2HB       GLN  17   4.817   9.620 -14.382
  124   1HG   GLN  17          1HG       GLN  17   4.186   7.044 -15.773
  125   2HG   GLN  17          2HG       GLN  17   4.384   8.564 -16.652
  126   1HE2  GLN  17          1HE2      GLN  17   5.922   5.843 -15.847
  127   2HE2  GLN  17          2HE2      GLN  17   7.557   6.399 -15.810
  128    H    ASP  18           H        ASP  18   4.810   7.585 -10.854
  129    HA   ASP  18           HA       ASP  18   4.137  10.161  -9.880
  130   1HB   ASP  18          1HB       ASP  18   1.860   9.244 -10.128
  131   2HB   ASP  18          2HB       ASP  18   2.296   7.898  -9.080
  132    H    LYS  19           H        LYS  19   6.441   8.579  -9.744
  133    HA   LYS  19           HA       LYS  19   8.056   7.956  -8.262
  134   1HB   LYS  19          1HB       LYS  19   6.150   9.249  -6.323
  135   2HB   LYS  19          2HB       LYS  19   7.791   8.778  -5.920
  136   1HG   LYS  19          1HG       LYS  19   7.824  11.098  -6.335
  137   2HG   LYS  19          2HG       LYS  19   8.577  10.317  -7.727
  138   1HD   LYS  19          1HD       LYS  19   6.570  10.582  -9.029
  139   2HD   LYS  19          2HD       LYS  19   5.693  11.199  -7.626
  140   1HE   LYS  19          1HE       LYS  19   6.366  13.010  -9.116
  141   2HE   LYS  19          2HE       LYS  19   7.173  13.139  -7.555
  142   1HZ   LYS  19          1HZ       LYS  19   9.114  13.116  -8.589
  143   2HZ   LYS  19          2HZ       LYS  19   8.337  13.017 -10.088
  144   3HZ   LYS  19          3HZ       LYS  19   8.778  11.604  -9.269
  145    H    LEU  20           H        LEU  20   7.706   7.051  -5.565
  146    HA   LEU  20           HA       LEU  20   6.605   4.411  -6.146
  147   1HB   LEU  20          1HB       LEU  20   8.901   4.501  -5.321
  148   2HB   LEU  20          2HB       LEU  20   8.365   5.388  -3.895
  149    HG   LEU  20           HG       LEU  20   7.033   3.413  -3.207
  150   1HD1  LEU  20          1HD1      LEU  20   8.389   1.457  -4.806
  151   2HD1  LEU  20          2HD1      LEU  20   7.505   2.579  -5.840
  152   3HD1  LEU  20          3HD1      LEU  20   6.660   1.704  -4.564
  153   1HD2  LEU  20          1HD2      LEU  20   9.112   1.938  -2.779
  154   2HD2  LEU  20          2HD2      LEU  20   9.068   3.566  -2.101
  155   3HD2  LEU  20          3HD2      LEU  20  10.001   3.244  -3.563
  156    H    VAL  21           H        VAL  21   4.607   4.017  -5.530
  157    HA   VAL  21           HA       VAL  21   3.479   5.480  -3.253
  158    HB   VAL  21           HB       VAL  21   2.047   3.875  -5.376
  159   1HG1  VAL  21          1HG1      VAL  21   0.015   4.749  -4.500
  160   2HG1  VAL  21          2HG1      VAL  21   0.879   5.815  -3.394
  161   3HG1  VAL  21          3HG1      VAL  21   0.915   4.070  -3.145
  162   1HG2  VAL  21          1HG2      VAL  21   2.065   5.661  -6.700
  163   2HG2  VAL  21          2HG2      VAL  21   3.241   6.388  -5.605
  164   3HG2  VAL  21          3HG2      VAL  21   1.521   6.709  -5.391
  165    H    VAL  22           H        VAL  22   2.853   4.478  -1.435
  166    HA   VAL  22           HA       VAL  22   3.324   1.588  -1.245
  167    HB   VAL  22           HB       VAL  22   2.937   3.584   0.990
  168   1HG1  VAL  22          1HG1      VAL  22   2.434   1.527   1.921
  169   2HG1  VAL  22          2HG1      VAL  22   4.164   1.660   2.231
  170   3HG1  VAL  22          3HG1      VAL  22   3.581   0.667   0.896
  171   1HG2  VAL  22          1HG2      VAL  22   4.945   4.101  -0.284
  172   2HG2  VAL  22          2HG2      VAL  22   5.485   2.430  -0.136
  173   3HG2  VAL  22          3HG2      VAL  22   5.363   3.448   1.299
  174    H    VAL  23           H        VAL  23   1.492   0.531  -1.797
  175    HA   VAL  23           HA       VAL  23  -1.020   1.429  -0.547
  176    HB   VAL  23           HB       VAL  23  -0.752  -0.286  -3.017
  177   1HG1  VAL  23          1HG1      VAL  23  -2.906   0.100  -1.318
  178   2HG1  VAL  23          2HG1      VAL  23  -2.963  -0.518  -2.968
  179   3HG1  VAL  23          3HG1      VAL  23  -3.213   1.200  -2.661
  180   1HG2  VAL  23          1HG2      VAL  23  -0.434   1.537  -4.248
  181   2HG2  VAL  23          2HG2      VAL  23  -0.241   2.465  -2.762
  182   3HG2  VAL  23          3HG2      VAL  23  -1.828   2.327  -3.513
  183    H    ASP  24           H        ASP  24  -1.924   0.156   0.915
  184    HA   ASP  24           HA       ASP  24  -0.880  -2.558   1.265
  185   1HB   ASP  24          1HB       ASP  24  -0.770  -1.098   3.225
  186   2HB   ASP  24          2HB       ASP  24  -2.515  -0.816   3.129
  187    H    PHE  25           H        PHE  25  -2.135  -4.346   1.033
  188    HA   PHE  25           HA       PHE  25  -4.854  -3.956   0.048
  189   1HB   PHE  25          1HB       PHE  25  -2.816  -6.161  -0.165
  190   2HB   PHE  25          2HB       PHE  25  -4.509  -6.454  -0.556
  191    HD1  PHE  25           HD1      PHE  25  -2.054  -3.718  -1.332
  192    HD2  PHE  25           HD2      PHE  25  -4.893  -6.541  -2.759
  193    HE1  PHE  25           HE1      PHE  25  -1.635  -2.958  -3.641
  194    HE2  PHE  25           HE2      PHE  25  -4.505  -5.779  -5.056
  195    HZ   PHE  25           HZ       PHE  25  -2.877  -3.983  -5.505
  196    H    TYR  26           H        TYR  26  -4.674  -3.562   2.754
  197    HA   TYR  26           HA       TYR  26  -4.854  -5.664   4.489
  198   1HB   TYR  26          1HB       TYR  26  -6.534  -4.202   5.764
  199   2HB   TYR  26          2HB       TYR  26  -4.932  -3.546   5.467
  200    HD1  TYR  26           HD1      TYR  26  -8.183  -3.671   3.597
  201    HD2  TYR  26           HD2      TYR  26  -4.927  -1.313   4.983
  202    HE1  TYR  26           HE1      TYR  26  -9.193  -1.687   2.561
  203    HE2  TYR  26           HE2      TYR  26  -5.930   0.682   3.974
  204    HH   TYR  26           HH       TYR  26  -9.143   0.662   2.649
  205    H    ALA  27           H        ALA  27  -6.342  -7.106   5.176
  206    HA   ALA  27           HA       ALA  27  -8.265  -7.985   3.289
  207   1HB   ALA  27          1HB       ALA  27  -7.168  -8.922   5.819
  208   2HB   ALA  27          2HB       ALA  27  -7.687  -9.831   4.401
  209   3HB   ALA  27          3HB       ALA  27  -8.871  -9.330   5.606
  210    H    THR  28           H        THR  28 -10.388  -7.682   3.137
  211    HA   THR  28           HA       THR  28 -11.651  -5.586   4.526
  212    HB   THR  28           HB       THR  28 -12.440  -6.162   2.336
  213    HG1  THR  28           HG1      THR  28 -14.677  -6.511   2.808
  214   1HG2  THR  28          1HG2      THR  28 -13.285  -8.200   1.640
  215   2HG2  THR  28          2HG2      THR  28 -13.530  -8.777   3.288
  216   3HG2  THR  28          3HG2      THR  28 -11.900  -8.665   2.626
  217    H    TRP  29           H        TRP  29 -11.128  -8.865   5.217
  218    HA   TRP  29           HA       TRP  29 -13.208  -9.030   7.258
  219   1HB   TRP  29          1HB       TRP  29 -12.195 -11.459   7.398
  220   2HB   TRP  29          2HB       TRP  29 -13.208 -11.013   6.021
  221    HD1  TRP  29           HD1      TRP  29 -12.012 -10.680   3.659
  222    HE1  TRP  29           HE1      TRP  29  -9.734 -11.436   2.741
  223    HE3  TRP  29           HE3      TRP  29  -9.725 -11.971   8.060
  224    HZ2  TRP  29           HZ2      TRP  29  -7.294 -12.420   3.745
  225    HZ3  TRP  29           HZ3      TRP  29  -7.429 -12.780   7.995
  226    HH2  TRP  29           HH2      TRP  29  -6.236 -13.000   5.877
  227    H    CYS  30           H        CYS  30 -10.909 -11.086   8.294
  228    HA   CYS  30           HA       CYS  30  -9.623 -11.167  10.145
  229   1HB   CYS  30          1HB       CYS  30  -8.022 -10.336   8.525
  230   2HB   CYS  30          2HB       CYS  30  -8.524  -8.679   8.847
  231    HG   CYS  30           HG       CYS  30  -7.213 -10.315  11.135
  232    H    GLY  31           H        GLY  31  -9.451  -7.635  10.103
  233   1HA   GLY  31          1HA       GLY  31 -11.404  -6.691  11.623
  234   2HA   GLY  31          2HA       GLY  31 -10.508  -7.609  12.822
  235    HA   PRO  32           HA       PRO  32  -7.837  -4.194  13.547
  236   1HB   PRO  32          1HB       PRO  32  -5.377  -5.342  13.778
  237   2HB   PRO  32          2HB       PRO  32  -6.628  -5.461  15.018
  238   1HG   PRO  32          1HG       PRO  32  -5.866  -7.438  12.901
  239   2HG   PRO  32          2HG       PRO  32  -6.239  -7.718  14.612
  240   1HD   PRO  32          1HD       PRO  32  -8.039  -8.187  12.664
  241   2HD   PRO  32          2HD       PRO  32  -8.520  -7.597  14.268
  242    H    CYS  33           H        CYS  33  -7.507  -5.970  10.669
  243    HA   CYS  33           HA       CYS  33  -5.212  -5.028   9.478
  244   1HB   CYS  33          1HB       CYS  33  -7.929  -5.578   8.282
  245   2HB   CYS  33          2HB       CYS  33  -6.511  -5.181   7.304
  246    HG   CYS  33           HG       CYS  33  -5.883  -7.529   7.419
  247    H    LYS  34           H        LYS  34  -8.251  -3.334   9.983
  248    HA   LYS  34           HA       LYS  34  -7.544  -1.098   8.330
  249   1HB   LYS  34          1HB       LYS  34  -9.709  -1.395  10.419
  250   2HB   LYS  34          2HB       LYS  34  -9.555  -0.037   9.314
  251   1HG   LYS  34          1HG       LYS  34 -10.039  -2.904   8.533
  252   2HG   LYS  34          2HG       LYS  34 -11.242  -1.612   8.551
  253   1HD   LYS  34          1HD       LYS  34  -9.963  -0.398   6.856
  254   2HD   LYS  34          2HD       LYS  34  -8.752  -1.682   6.845
  255   1HE   LYS  34          1HE       LYS  34 -11.659  -1.981   6.095
  256   2HE   LYS  34          2HE       LYS  34 -10.305  -1.899   4.968
  257   1HZ   LYS  34          1HZ       LYS  34  -9.520  -3.898   6.530
  258   2HZ   LYS  34          2HZ       LYS  34 -10.435  -4.126   5.127
  259   3HZ   LYS  34          3HZ       LYS  34 -11.196  -4.102   6.637
  260    H    MET  35           H        MET  35  -6.412  -2.084  11.286
  261    HA   MET  35           HA       MET  35  -6.198   0.508  12.540
  262   1HB   MET  35          1HB       MET  35  -6.383  -1.581  13.857
  263   2HB   MET  35          2HB       MET  35  -4.832  -2.103  13.216
  264   1HG   MET  35          1HG       MET  35  -3.720  -0.256  14.310
  265   2HG   MET  35          2HG       MET  35  -5.267   0.360  14.889
  266   1HE   MET  35          1HE       MET  35  -2.652  -0.493  17.048
  267   2HE   MET  35          2HE       MET  35  -3.930  -0.710  18.243
  268   3HE   MET  35          3HE       MET  35  -4.057   0.574  17.041
  269    H    ILE  36           H        ILE  36  -4.778  -0.702   9.904
  270    HA   ILE  36           HA       ILE  36  -2.036   0.054  10.427
  271    HB   ILE  36           HB       ILE  36  -3.372  -0.822   7.866
  272   1HG1  ILE  36          1HG1      ILE  36  -1.701  -2.365   9.862
  273   2HG1  ILE  36          2HG1      ILE  36  -3.431  -2.557   9.595
  274   1HG2  ILE  36          1HG2      ILE  36  -0.648  -1.395   7.777
  275   2HG2  ILE  36          2HG2      ILE  36  -0.759   0.247   8.412
  276   3HG2  ILE  36          3HG2      ILE  36  -1.512  -0.156   6.870
  277   1HD1  ILE  36          1HD1      ILE  36  -1.780  -2.873   7.197
  278   2HD1  ILE  36          2HD1      ILE  36  -3.129  -3.842   7.791
  279   3HD1  ILE  36          3HD1      ILE  36  -1.512  -4.082   8.455
  280    H    ALA  37           H        ALA  37  -4.880   1.602   9.381
  281    HA   ALA  37           HA       ALA  37  -4.009   3.443   7.511
  282   1HB   ALA  37          1HB       ALA  37  -5.970   4.567   7.881
  283   2HB   ALA  37          2HB       ALA  37  -5.905   4.334   9.629
  284   3HB   ALA  37          3HB       ALA  37  -6.364   2.994   8.575
  285    HA   PRO  38           HA       PRO  38  -2.667   6.353  11.119
  286   1HB   PRO  38          1HB       PRO  38  -1.892   5.149  13.439
  287   2HB   PRO  38          2HB       PRO  38  -3.527   5.764  13.156
  288   1HG   PRO  38          1HG       PRO  38  -2.504   2.970  13.055
  289   2HG   PRO  38          2HG       PRO  38  -4.072   3.576  13.610
  290   1HD   PRO  38          1HD       PRO  38  -3.643   2.393  11.179
  291   2HD   PRO  38          2HD       PRO  38  -4.964   3.516  11.505
  292    H    MET  39           H        MET  39  -1.177   3.112  11.181
  293    HA   MET  39           HA       MET  39   1.458   3.989  11.531
  294   1HB   MET  39          1HB       MET  39   0.264   1.504  10.331
  295   2HB   MET  39          2HB       MET  39   1.977   1.725  10.531
  296   1HG   MET  39          1HG       MET  39   1.602   2.011  12.933
  297   2HG   MET  39          2HG       MET  39  -0.097   1.651  12.686
  298   1HE   MET  39          1HE       MET  39  -0.967  -0.847  11.841
  299   2HE   MET  39          2HE       MET  39   0.194  -2.031  11.240
  300   3HE   MET  39          3HE       MET  39   0.029  -0.471  10.434
  301    H    ILE  40           H        ILE  40  -0.295   2.972   8.597
  302    HA   ILE  40           HA       ILE  40   1.607   3.461   6.678
  303    HB   ILE  40           HB       ILE  40  -1.379   3.947   6.538
  304   1HG1  ILE  40          1HG1      ILE  40   0.334   1.644   5.581
  305   2HG1  ILE  40          2HG1      ILE  40  -0.701   1.636   7.003
  306   1HG2  ILE  40          1HG2      ILE  40  -1.135   3.856   4.092
  307   2HG2  ILE  40          2HG2      ILE  40   0.619   3.814   4.276
  308   3HG2  ILE  40          3HG2      ILE  40  -0.288   5.238   4.785
  309   1HD1  ILE  40          1HD1      ILE  40  -2.615   1.449   5.778
  310   2HD1  ILE  40          2HD1      ILE  40  -1.488   0.623   4.702
  311   3HD1  ILE  40          3HD1      ILE  40  -1.936   2.299   4.391
  312    H    GLU  41           H        GLU  41  -0.213   5.756   8.548
  313    HA   GLU  41           HA       GLU  41   0.400   8.022   6.887
  314   1HB   GLU  41          1HB       GLU  41  -1.646   7.977   8.206
  315   2HB   GLU  41          2HB       GLU  41  -0.717   7.826   9.690
  316   1HG   GLU  41          1HG       GLU  41   0.241  10.044   9.308
  317   2HG   GLU  41          2HG       GLU  41  -0.698  10.192   7.824
  318    H    LYS  42           H        LYS  42   1.747   6.506   9.746
  319    HA   LYS  42           HA       LYS  42   3.441   8.626  10.533
  320   1HB   LYS  42          1HB       LYS  42   3.665   5.651  11.015
  321   2HB   LYS  42          2HB       LYS  42   4.663   6.863  11.806
  322   1HG   LYS  42          1HG       LYS  42   2.674   7.844  12.813
  323   2HG   LYS  42          2HG       LYS  42   1.675   6.627  12.016
  324   1HD   LYS  42          1HD       LYS  42   2.865   4.862  13.219
  325   2HD   LYS  42          2HD       LYS  42   3.868   6.078  14.015
  326   1HE   LYS  42          1HE       LYS  42   1.878   7.050  15.033
  327   2HE   LYS  42          2HE       LYS  42   0.876   5.839  14.236
  328   1HZ   LYS  42          1HZ       LYS  42   2.585   5.586  16.571
  329   2HZ   LYS  42          2HZ       LYS  42   2.622   4.281  15.497
  330   3HZ   LYS  42          3HZ       LYS  42   1.155   4.770  16.183
  331    H    PHE  43           H        PHE  43   3.680   6.309   7.986
  332    HA   PHE  43           HA       PHE  43   6.551   6.674   7.702
  333   1HB   PHE  43          1HB       PHE  43   4.571   5.041   6.109
  334   2HB   PHE  43          2HB       PHE  43   6.296   5.113   5.763
  335    HD1  PHE  43           HD1      PHE  43   4.100   4.547   8.730
  336    HD2  PHE  43           HD2      PHE  43   7.534   3.350   6.524
  337    HE1  PHE  43           HE1      PHE  43   4.491   2.729  10.337
  338    HE2  PHE  43           HE2      PHE  43   7.932   1.525   8.127
  339    HZ   PHE  43           HZ       PHE  43   6.410   1.212  10.038
  340    H    SER  44           H        SER  44   3.672   8.083   6.523
  341    HA   SER  44           HA       SER  44   4.700   8.985   4.013
  342   1HB   SER  44          1HB       SER  44   2.290   8.746   4.362
  343   2HB   SER  44          2HB       SER  44   2.341   9.979   5.634
  344    HG   SER  44           HG       SER  44   2.917  10.336   2.877
  345    H    GLU  45           H        GLU  45   5.425   9.859   7.150
  346    HA   GLU  45           HA       GLU  45   5.839  12.683   6.587
  347   1HB   GLU  45          1HB       GLU  45   6.429  11.059   9.068
  348   2HB   GLU  45          2HB       GLU  45   6.595  12.804   8.933
  349   1HG   GLU  45          1HG       GLU  45   4.197  13.003   8.520
  350   2HG   GLU  45          2HG       GLU  45   4.031  11.252   8.654
  351    H    GLN  46           H        GLN  46   7.643   9.716   6.769
  352    HA   GLN  46           HA       GLN  46  10.201  11.098   6.732
  353   1HB   GLN  46          1HB       GLN  46   9.516   8.157   6.711
  354   2HB   GLN  46          2HB       GLN  46  11.153   8.800   6.747
  355   1HG   GLN  46          1HG       GLN  46  10.679   9.894   8.873
  356   2HG   GLN  46          2HG       GLN  46   9.038   9.249   8.838
  357   1HE2  GLN  46          1HE2      GLN  46   8.769   7.565  10.093
  358   2HE2  GLN  46          2HE2      GLN  46   9.963   6.348  10.455
  359    H    TYR  47           H        TYR  47   8.034   9.498   4.525
  360    HA   TYR  47           HA       TYR  47   9.981   9.977   2.365
  361   1HB   TYR  47          1HB       TYR  47   7.947   7.748   2.540
  362   2HB   TYR  47          2HB       TYR  47   9.029   8.042   1.182
  363    HD1  TYR  47           HD1      TYR  47  11.579   8.041   1.739
  364    HD2  TYR  47           HD2      TYR  47   8.599   6.304   4.224
  365    HE1  TYR  47           HE1      TYR  47  13.297   6.645   2.809
  366    HE2  TYR  47           HE2      TYR  47  10.308   4.893   5.299
  367    HH   TYR  47           HH       TYR  47  12.501   4.031   4.900
  368    HA   PRO  48           HA       PRO  48   5.716  12.359   2.132
  369   1HB   PRO  48          1HB       PRO  48   7.856  14.319   1.422
  370   2HB   PRO  48          2HB       PRO  48   6.313  14.594   2.238
  371   1HG   PRO  48          1HG       PRO  48   8.626  14.442   3.596
  372   2HG   PRO  48          2HG       PRO  48   7.098  13.850   4.269
  373   1HD   PRO  48          1HD       PRO  48   9.445  12.333   3.341
  374   2HD   PRO  48          2HD       PRO  48   8.118  11.828   4.409
  375    H    GLN  49           H        GLN  49   8.593  12.045   0.160
  376    HA   GLN  49           HA       GLN  49   7.530  12.958  -2.274
  377   1HB   GLN  49          1HB       GLN  49   9.694  10.898  -1.807
  378   2HB   GLN  49          2HB       GLN  49   9.368  11.696  -3.340
  379   1HG   GLN  49          1HG       GLN  49   9.925  13.851  -2.340
  380   2HG   GLN  49          2HG       GLN  49  10.242  13.056  -0.801
  381   1HE2  GLN  49          1HE2      GLN  49  11.270  10.943  -3.106
  382   2HE2  GLN  49          2HE2      GLN  49  12.925  11.416  -3.208
  383    H    ALA  50           H        ALA  50   7.434   9.826  -0.701
  384    HA   ALA  50           HA       ALA  50   6.120   8.588  -2.980
  385   1HB   ALA  50          1HB       ALA  50   7.451   6.978  -2.106
  386   2HB   ALA  50          2HB       ALA  50   6.030   6.677  -1.104
  387   3HB   ALA  50          3HB       ALA  50   7.369   7.639  -0.475
  388    H    ASP  51           H        ASP  51   3.999   7.972  -3.060
  389    HA   ASP  51           HA       ASP  51   2.224   9.250  -1.139
  390   1HB   ASP  51          1HB       ASP  51   1.608   7.785  -3.714
  391   2HB   ASP  51          2HB       ASP  51   0.437   8.659  -2.734
  392    H    PHE  52           H        PHE  52   1.209   8.205   0.451
  393    HA   PHE  52           HA       PHE  52   1.419   5.282   0.508
  394   1HB   PHE  52          1HB       PHE  52   0.930   7.283   2.719
  395   2HB   PHE  52          2HB       PHE  52   0.908   5.528   2.947
  396    HD1  PHE  52           HD1      PHE  52   3.139   8.088   1.375
  397    HD2  PHE  52           HD2      PHE  52   2.811   4.612   3.807
  398    HE1  PHE  52           HE1      PHE  52   5.577   8.096   1.707
  399    HE2  PHE  52           HE2      PHE  52   5.247   4.614   4.146
  400    HZ   PHE  52           HZ       PHE  52   6.634   6.357   3.097
  401    H    TYR  53           H        TYR  53  -0.326   4.764  -0.803
  402    HA   TYR  53           HA       TYR  53  -2.988   5.600   0.090
  403   1HB   TYR  53          1HB       TYR  53  -1.939   4.372  -2.445
  404   2HB   TYR  53          2HB       TYR  53  -3.654   4.305  -2.060
  405    HD1  TYR  53           HD1      TYR  53  -4.717   6.634  -1.401
  406    HD2  TYR  53           HD2      TYR  53  -1.164   6.162  -3.689
  407    HE1  TYR  53           HE1      TYR  53  -5.031   8.883  -2.341
  408    HE2  TYR  53           HE2      TYR  53  -1.464   8.412  -4.633
  409    HH   TYR  53           HH       TYR  53  -4.167  10.033  -4.694
  410    H    LYS  54           H        LYS  54  -4.591   3.555  -0.546
  411    HA   LYS  54           HA       LYS  54  -3.502   1.099   0.534
  412   1HB   LYS  54          1HB       LYS  54  -5.815   2.472   1.902
  413   2HB   LYS  54          2HB       LYS  54  -5.107   0.924   2.339
  414   1HG   LYS  54          1HG       LYS  54  -2.967   2.103   2.805
  415   2HG   LYS  54          2HG       LYS  54  -3.803   3.630   2.522
  416   1HD   LYS  54          1HD       LYS  54  -4.394   1.598   4.672
  417   2HD   LYS  54          2HD       LYS  54  -3.734   3.220   4.887
  418   1HE   LYS  54          1HE       LYS  54  -5.810   4.192   4.069
  419   2HE   LYS  54          2HE       LYS  54  -6.464   2.579   3.789
  420   1HZ   LYS  54          1HZ       LYS  54  -5.562   2.810   6.457
  421   2HZ   LYS  54          2HZ       LYS  54  -7.118   2.475   5.886
  422   3HZ   LYS  54          3HZ       LYS  54  -6.626   4.078   6.107
  423    H    LEU  55           H        LEU  55  -4.515  -0.685  -0.169
  424    HA   LEU  55           HA       LEU  55  -6.622  -0.311  -2.142
  425   1HB   LEU  55          1HB       LEU  55  -4.555  -1.654  -2.604
  426   2HB   LEU  55          2HB       LEU  55  -5.106  -2.814  -1.416
  427    HG   LEU  55           HG       LEU  55  -5.542  -3.475  -3.780
  428   1HD1  LEU  55          1HD1      LEU  55  -8.256  -3.254  -2.729
  429   2HD1  LEU  55          2HD1      LEU  55  -7.082  -3.851  -1.556
  430   3HD1  LEU  55          3HD1      LEU  55  -7.290  -4.684  -3.098
  431   1HD2  LEU  55          1HD2      LEU  55  -6.829  -2.280  -5.202
  432   2HD2  LEU  55          2HD2      LEU  55  -6.267  -0.935  -4.208
  433   3HD2  LEU  55          3HD2      LEU  55  -7.855  -1.645  -3.916
  434    H    ASP  56           H        ASP  56  -8.647  -1.201  -2.021
  435    HA   ASP  56           HA       ASP  56  -9.465  -2.079   0.646
  436   1HB   ASP  56          1HB       ASP  56 -10.650  -0.174  -0.517
  437   2HB   ASP  56          2HB       ASP  56 -11.237  -1.350  -1.693
  438    H    VAL  57           H        VAL  57  -9.505  -4.206   0.988
  439    HA   VAL  57           HA       VAL  57  -9.760  -6.080  -1.182
  440    HB   VAL  57           HB       VAL  57  -9.627  -6.517   1.817
  441   1HG1  VAL  57          1HG1      VAL  57 -10.739  -8.432   1.034
  442   2HG1  VAL  57          2HG1      VAL  57  -9.040  -8.910   1.039
  443   3HG1  VAL  57          3HG1      VAL  57  -9.826  -8.461  -0.475
  444   1HG2  VAL  57          1HG2      VAL  57  -7.604  -5.598   0.650
  445   2HG2  VAL  57          2HG2      VAL  57  -7.561  -7.070  -0.320
  446   3HG2  VAL  57          3HG2      VAL  57  -7.353  -7.160   1.430
  447    H    ASP  58           H        ASP  58 -11.948  -4.241   0.469
  448    HA   ASP  58           HA       ASP  58 -14.087  -6.232   0.477
  449   1HB   ASP  58          1HB       ASP  58 -13.813  -4.665   2.414
  450   2HB   ASP  58          2HB       ASP  58 -14.164  -3.327   1.327
  451    H    GLU  59           H        GLU  59 -13.028  -3.308  -1.119
  452    HA   GLU  59           HA       GLU  59 -15.351  -3.371  -2.903
  453   1HB   GLU  59          1HB       GLU  59 -14.818  -1.237  -1.776
  454   2HB   GLU  59          2HB       GLU  59 -13.235  -1.235  -2.545
  455   1HG   GLU  59          1HG       GLU  59 -14.710   0.245  -3.728
  456   2HG   GLU  59          2HG       GLU  59 -14.340  -1.147  -4.745
  457    H    LEU  60           H        LEU  60 -11.804  -3.205  -2.955
  458    HA   LEU  60           HA       LEU  60 -11.840  -3.978  -5.787
  459   1HB   LEU  60          1HB       LEU  60  -9.659  -2.829  -4.054
  460   2HB   LEU  60          2HB       LEU  60  -9.383  -3.417  -5.681
  461    HG   LEU  60           HG       LEU  60 -10.973  -1.728  -6.540
  462   1HD1  LEU  60          1HD1      LEU  60 -11.200   0.162  -4.611
  463   2HD1  LEU  60          2HD1      LEU  60 -11.390  -1.315  -3.668
  464   3HD1  LEU  60          3HD1      LEU  60 -12.459  -0.996  -5.033
  465   1HD2  LEU  60          1HD2      LEU  60  -8.963  -0.269  -4.880
  466   2HD2  LEU  60          2HD2      LEU  60  -9.428  -0.015  -6.561
  467   3HD2  LEU  60          3HD2      LEU  60  -8.424  -1.398  -6.123
  468    H    GLY  61           H        GLY  61 -12.482  -5.887  -3.750
  469   1HA   GLY  61          1HA       GLY  61 -10.430  -7.511  -2.874
  470   2HA   GLY  61          2HA       GLY  61 -12.026  -8.097  -3.311
  471    H    ASP  62           H        ASP  62 -11.598  -7.087  -6.110
  472    HA   ASP  62           HA       ASP  62 -10.664  -9.483  -7.238
  473   1HB   ASP  62          1HB       ASP  62 -11.031  -6.805  -8.511
  474   2HB   ASP  62          2HB       ASP  62 -10.813  -8.306  -9.387
  475    H    VAL  63           H        VAL  63  -9.075  -6.492  -6.429
  476    HA   VAL  63           HA       VAL  63  -6.728  -6.978  -7.991
  477    HB   VAL  63           HB       VAL  63  -6.898  -5.161  -5.591
  478   1HG1  VAL  63          1HG1      VAL  63  -5.359  -4.440  -7.996
  479   2HG1  VAL  63          2HG1      VAL  63  -4.749  -5.816  -7.078
  480   3HG1  VAL  63          3HG1      VAL  63  -4.956  -4.253  -6.290
  481   1HG2  VAL  63          1HG2      VAL  63  -7.594  -3.379  -7.109
  482   2HG2  VAL  63          2HG2      VAL  63  -8.785  -4.679  -7.073
  483   3HG2  VAL  63          3HG2      VAL  63  -7.677  -4.534  -8.439
  484    H    ALA  64           H        ALA  64  -7.431  -7.186  -4.493
  485    HA   ALA  64           HA       ALA  64  -4.976  -8.178  -3.609
  486   1HB   ALA  64          1HB       ALA  64  -7.764  -8.248  -2.619
  487   2HB   ALA  64          2HB       ALA  64  -6.285  -7.712  -1.820
  488   3HB   ALA  64          3HB       ALA  64  -6.652  -9.434  -1.933
  489    H    GLN  65           H        GLN  65  -7.603  -9.744  -5.290
  490    HA   GLN  65           HA       GLN  65  -6.478 -12.399  -4.909
  491   1HB   GLN  65          1HB       GLN  65  -8.909 -12.134  -4.816
  492   2HB   GLN  65          2HB       GLN  65  -8.911 -11.477  -6.447
  493   1HG   GLN  65          1HG       GLN  65  -8.086 -13.612  -7.305
  494   2HG   GLN  65          2HG       GLN  65  -8.095 -14.268  -5.672
  495   1HE2  GLN  65          1HE2      GLN  65 -10.697 -12.251  -5.839
  496   2HE2  GLN  65          2HE2      GLN  65 -11.908 -13.388  -6.303
  497    H    LYS  66           H        LYS  66  -6.613  -9.879  -7.319
  498    HA   LYS  66           HA       LYS  66  -5.908 -11.435  -9.559
  499   1HB   LYS  66          1HB       LYS  66  -6.547  -9.480 -10.429
  500   2HB   LYS  66          2HB       LYS  66  -6.299  -8.654  -8.905
  501   1HG   LYS  66          1HG       LYS  66  -4.954  -7.591 -10.537
  502   2HG   LYS  66          2HG       LYS  66  -3.886  -8.489  -9.462
  503   1HD   LYS  66          1HD       LYS  66  -3.769 -10.306 -11.115
  504   2HD   LYS  66          2HD       LYS  66  -4.825  -9.387 -12.186
  505   1HE   LYS  66          1HE       LYS  66  -2.097  -8.531 -11.228
  506   2HE   LYS  66          2HE       LYS  66  -2.478  -9.160 -12.830
  507   1HZ   LYS  66          1HZ       LYS  66  -3.009  -6.532 -11.689
  508   2HZ   LYS  66          2HZ       LYS  66  -4.202  -7.164 -12.707
  509   3HZ   LYS  66          3HZ       LYS  66  -2.622  -6.965 -13.278
  510    H    ASN  67           H        ASN  67  -3.978  -9.423  -7.353
  511    HA   ASN  67           HA       ASN  67  -1.498 -10.296  -8.485
  512   1HB   ASN  67          1HB       ASN  67  -2.169  -8.682  -6.016
  513   2HB   ASN  67          2HB       ASN  67  -0.536  -8.963  -6.620
  514   1HD2  ASN  67          1HD2      ASN  67  -2.968  -6.804  -6.545
  515   2HD2  ASN  67          2HD2      ASN  67  -2.618  -5.906  -7.999
  516    H    GLU  68           H        GLU  68  -3.683 -11.844  -6.601
  517    HA   GLU  68           HA       GLU  68  -3.633 -13.680  -5.277
  518   1HB   GLU  68          1HB       GLU  68  -0.746 -13.828  -6.160
  519   2HB   GLU  68          2HB       GLU  68  -1.640 -15.121  -5.372
  520   1HG   GLU  68          1HG       GLU  68  -2.334 -13.912  -8.039
  521   2HG   GLU  68          2HG       GLU  68  -1.452 -15.422  -7.805
  522    H    VAL  69           H        VAL  69  -3.295 -11.192  -4.030
  523    HA   VAL  69           HA       VAL  69  -1.330 -11.776  -1.918
  524    HB   VAL  69           HB       VAL  69  -2.700  -9.143  -2.484
  525   1HG1  VAL  69          1HG1      VAL  69  -0.670  -8.339  -1.125
  526   2HG1  VAL  69          2HG1      VAL  69  -0.547 -10.013  -0.584
  527   3HG1  VAL  69          3HG1      VAL  69  -2.012  -9.083  -0.259
  528   1HG2  VAL  69          1HG2      VAL  69  -0.612  -8.425  -3.503
  529   2HG2  VAL  69          2HG2      VAL  69  -1.266  -9.821  -4.359
  530   3HG2  VAL  69          3HG2      VAL  69   0.086 -10.024  -3.243
  531    H    SER  70           H        SER  70  -3.426 -13.347  -1.608
  532    HA   SER  70           HA       SER  70  -5.581 -12.146  -0.170
  533   1HB   SER  70          1HB       SER  70  -6.360 -14.398   0.247
  534   2HB   SER  70          2HB       SER  70  -5.826 -14.270  -1.437
  535    HG   SER  70           HG       SER  70  -4.386 -15.411   0.728
  536    H    ALA  71           H        ALA  71  -2.407 -12.962   0.667
  537    HA   ALA  71           HA       ALA  71  -2.986 -13.442   3.477
  538   1HB   ALA  71          1HB       ALA  71  -0.200 -12.991   2.600
  539   2HB   ALA  71          2HB       ALA  71  -1.020 -14.391   1.911
  540   3HB   ALA  71          3HB       ALA  71  -0.868 -14.230   3.661
  541    H    MET  72           H        MET  72  -4.083 -11.198   3.244
  542    HA   MET  72           HA       MET  72  -2.238  -8.973   3.473
  543   1HB   MET  72          1HB       MET  72  -4.513  -7.726   3.824
  544   2HB   MET  72          2HB       MET  72  -4.033  -8.281   2.229
  545   1HG   MET  72          1HG       MET  72  -5.648 -10.127   3.894
  546   2HG   MET  72          2HG       MET  72  -6.440  -8.699   3.229
  547   1HE   MET  72          1HE       MET  72  -7.867 -10.621   2.607
  548   2HE   MET  72          2HE       MET  72  -7.271 -12.056   1.771
  549   3HE   MET  72          3HE       MET  72  -8.011 -10.743   0.854
  550    HA   PRO  73           HA       PRO  73  -3.188  -6.702   4.282
  551   1HB   PRO  73          1HB       PRO  73  -1.709  -5.012   5.777
  552   2HB   PRO  73          2HB       PRO  73  -3.453  -5.237   6.013
  553   1HG   PRO  73          1HG       PRO  73  -1.165  -6.389   7.540
  554   2HG   PRO  73          2HG       PRO  73  -2.708  -5.756   8.134
  555   1HD   PRO  73          1HD       PRO  73  -2.182  -8.419   7.851
  556   2HD   PRO  73          2HD       PRO  73  -3.810  -7.724   7.736
  557    H    THR  74           H        THR  74  -1.808  -6.402   2.675
  558    HA   THR  74           HA       THR  74   1.006  -7.177   3.070
  559    HB   THR  74           HB       THR  74  -0.775  -7.463   0.647
  560    HG1  THR  74           HG1      THR  74  -0.550  -9.067   2.543
  561   1HG2  THR  74          1HG2      THR  74   1.500  -8.827   0.023
  562   2HG2  THR  74          2HG2      THR  74   2.135  -7.360   0.760
  563   3HG2  THR  74          3HG2      THR  74   1.044  -7.249  -0.616
  564    H    LEU  75           H        LEU  75   2.592  -5.981   1.862
  565    HA   LEU  75           HA       LEU  75   1.699  -3.245   1.253
  566   1HB   LEU  75          1HB       LEU  75   4.461  -4.207   1.995
  567   2HB   LEU  75          2HB       LEU  75   3.978  -2.541   1.746
  568    HG   LEU  75           HG       LEU  75   3.008  -4.345   3.965
  569   1HD1  LEU  75          1HD1      LEU  75   4.236  -2.262   5.152
  570   2HD1  LEU  75          2HD1      LEU  75   5.218  -2.430   3.697
  571   3HD1  LEU  75          3HD1      LEU  75   5.022  -3.798   4.790
  572   1HD2  LEU  75          1HD2      LEU  75   1.228  -2.952   3.819
  573   2HD2  LEU  75          2HD2      LEU  75   2.136  -1.698   2.975
  574   3HD2  LEU  75          3HD2      LEU  75   2.296  -1.878   4.723
  575    H    LEU  76           H        LEU  76   1.568  -2.814  -0.835
  576    HA   LEU  76           HA       LEU  76   3.407  -4.181  -2.679
  577   1HB   LEU  76          1HB       LEU  76   0.647  -3.038  -3.100
  578   2HB   LEU  76          2HB       LEU  76   1.687  -3.531  -4.434
  579    HG   LEU  76           HG       LEU  76   0.469  -5.275  -2.298
  580   1HD1  LEU  76          1HD1      LEU  76  -1.015  -5.853  -3.846
  581   2HD1  LEU  76          2HD1      LEU  76   0.242  -6.119  -5.054
  582   3HD1  LEU  76          3HD1      LEU  76  -0.417  -4.502  -4.810
  583   1HD2  LEU  76          1HD2      LEU  76   1.681  -7.089  -3.756
  584   2HD2  LEU  76          2HD2      LEU  76   2.518  -6.296  -2.422
  585   3HD2  LEU  76          3HD2      LEU  76   2.802  -5.769  -4.082
  586    H    LEU  77           H        LEU  77   4.889  -3.027  -3.703
  587    HA   LEU  77           HA       LEU  77   4.663  -0.095  -3.627
  588   1HB   LEU  77          1HB       LEU  77   7.119  -1.839  -3.838
  589   2HB   LEU  77          2HB       LEU  77   7.128  -0.086  -3.878
  590    HG   LEU  77           HG       LEU  77   6.198  -0.059  -1.575
  591   1HD1  LEU  77          1HD1      LEU  77   5.109  -1.977  -1.072
  592   2HD1  LEU  77          2HD1      LEU  77   6.694  -2.424  -0.438
  593   3HD1  LEU  77          3HD1      LEU  77   6.195  -2.978  -2.037
  594   1HD2  LEU  77          1HD2      LEU  77   8.644   0.061  -2.083
  595   2HD2  LEU  77          2HD2      LEU  77   8.735  -1.671  -1.764
  596   3HD2  LEU  77          3HD2      LEU  77   8.255  -0.562  -0.480
  597    H    PHE  78           H        PHE  78   4.968   1.105  -5.459
  598    HA   PHE  78           HA       PHE  78   5.487  -0.286  -7.995
  599   1HB   PHE  78          1HB       PHE  78   3.153   1.593  -7.545
  600   2HB   PHE  78          2HB       PHE  78   3.527   0.728  -9.026
  601    HD1  PHE  78           HD1      PHE  78   3.524  -1.867  -8.877
  602    HD2  PHE  78           HD2      PHE  78   1.690   0.694  -6.016
  603    HE1  PHE  78           HE1      PHE  78   2.109  -3.733  -8.116
  604    HE2  PHE  78           HE2      PHE  78   0.279  -1.166  -5.253
  605    HZ   PHE  78           HZ       PHE  78   0.479  -3.379  -6.298
  606    H    LYS  79           H        LYS  79   6.930   0.883  -9.234
  607    HA   LYS  79           HA       LYS  79   7.101   3.775  -8.632
  608   1HB   LYS  79          1HB       LYS  79   9.308   1.869  -9.382
  609   2HB   LYS  79          2HB       LYS  79   9.482   3.611  -9.484
  610   1HG   LYS  79          1HG       LYS  79   8.900   3.730  -7.057
  611   2HG   LYS  79          2HG       LYS  79   8.981   1.971  -7.014
  612   1HD   LYS  79          1HD       LYS  79  11.085   2.751  -6.258
  613   2HD   LYS  79          2HD       LYS  79  11.338   2.180  -7.906
  614   1HE   LYS  79          1HE       LYS  79  10.807   5.067  -7.244
  615   2HE   LYS  79          2HE       LYS  79  12.430   4.382  -7.281
  616   1HZ   LYS  79          1HZ       LYS  79  12.379   4.952  -9.423
  617   2HZ   LYS  79          2HZ       LYS  79  10.697   5.114  -9.459
  618   3HZ   LYS  79          3HZ       LYS  79  11.402   3.588  -9.645
  619    H    ASN  80           H        ASN  80   6.880   5.201 -10.225
  620    HA   ASN  80           HA       ASN  80   6.256   6.014 -12.260
  621   1HB   ASN  80          1HB       ASN  80   8.409   4.094 -13.170
  622   2HB   ASN  80          2HB       ASN  80   7.770   5.437 -14.113
  623   1HD2  ASN  80          1HD2      ASN  80  10.281   4.510 -12.279
  624   2HD2  ASN  80          2HD2      ASN  80  10.826   6.045 -11.704
  625    H    GLY  81           H        GLY  81   4.201   4.749 -11.844
  626   1HA   GLY  81          1HA       GLY  81   2.514   3.364 -12.540
  627   2HA   GLY  81          2HA       GLY  81   3.101   3.794 -14.145
  628    H    LYS  82           H        LYS  82   5.052   1.998 -11.879
  629    HA   LYS  82           HA       LYS  82   4.460  -0.504 -13.284
  630   1HB   LYS  82          1HB       LYS  82   7.223   0.646 -12.849
  631   2HB   LYS  82          2HB       LYS  82   6.912  -0.999 -13.377
  632   1HG   LYS  82          1HG       LYS  82   5.849  -0.179 -15.397
  633   2HG   LYS  82          2HG       LYS  82   6.103   1.484 -14.869
  634   1HD   LYS  82          1HD       LYS  82   8.522   1.131 -14.912
  635   2HD   LYS  82          2HD       LYS  82   8.272  -0.539 -15.423
  636   1HE   LYS  82          1HE       LYS  82   7.464   1.932 -16.953
  637   2HE   LYS  82          2HE       LYS  82   8.834   0.885 -17.321
  638   1HZ   LYS  82          1HZ       LYS  82   7.342  -0.056 -18.698
  639   2HZ   LYS  82          2HZ       LYS  82   6.001   0.473 -17.813
  640   3HZ   LYS  82          3HZ       LYS  82   6.863  -0.890 -17.306
  641    H    GLU  83           H        GLU  83   6.461  -2.010 -11.971
  642    HA   GLU  83           HA       GLU  83   5.426  -1.941  -9.217
  643   1HB   GLU  83          1HB       GLU  83   4.895  -3.939 -10.629
  644   2HB   GLU  83          2HB       GLU  83   6.613  -4.251 -10.782
  645   1HG   GLU  83          1HG       GLU  83   6.811  -4.840  -8.516
  646   2HG   GLU  83          2HG       GLU  83   5.225  -4.175  -8.121
  647    H    VAL  84           H        VAL  84   7.183  -3.233  -7.748
  648    HA   VAL  84           HA       VAL  84   9.914  -2.706  -8.387
  649    HB   VAL  84           HB       VAL  84  10.282  -1.233  -6.353
  650   1HG1  VAL  84          1HG1      VAL  84  10.071  -0.625  -8.927
  651   2HG1  VAL  84          2HG1      VAL  84  10.333   0.597  -7.686
  652   3HG1  VAL  84          3HG1      VAL  84   8.712   0.324  -8.323
  653   1HG2  VAL  84          1HG2      VAL  84   7.406  -1.470  -6.287
  654   2HG2  VAL  84          2HG2      VAL  84   7.914   0.214  -6.344
  655   3HG2  VAL  84          3HG2      VAL  84   8.511  -0.846  -5.067
  656    H    ALA  85           H        ALA  85   7.618  -3.281  -5.721
  657    HA   ALA  85           HA       ALA  85   8.895  -5.737  -5.049
  658   1HB   ALA  85          1HB       ALA  85  10.507  -4.060  -4.123
  659   2HB   ALA  85          2HB       ALA  85   9.862  -5.203  -2.945
  660   3HB   ALA  85          3HB       ALA  85   9.239  -3.554  -3.007
  661    H    LYS  86           H        LYS  86   7.986  -6.706  -3.040
  662    HA   LYS  86           HA       LYS  86   5.393  -5.617  -2.244
  663   1HB   LYS  86          1HB       LYS  86   4.312  -7.813  -2.572
  664   2HB   LYS  86          2HB       LYS  86   4.856  -7.106  -4.087
  665   1HG   LYS  86          1HG       LYS  86   6.878  -8.545  -3.964
  666   2HG   LYS  86          2HG       LYS  86   6.184  -9.321  -2.542
  667   1HD   LYS  86          1HD       LYS  86   4.883  -9.228  -5.263
  668   2HD   LYS  86          2HD       LYS  86   5.810 -10.592  -4.637
  669   1HE   LYS  86          1HE       LYS  86   3.530 -11.112  -4.279
  670   2HE   LYS  86          2HE       LYS  86   4.190 -10.660  -2.709
  671   1HZ   LYS  86          1HZ       LYS  86   1.951  -9.629  -3.877
  672   2HZ   LYS  86          2HZ       LYS  86   3.106  -8.418  -4.111
  673   3HZ   LYS  86          3HZ       LYS  86   2.770  -8.976  -2.550
  674    H    VAL  87           H        VAL  87   5.454  -5.520  -0.102
  675    HA   VAL  87           HA       VAL  87   6.865  -7.654   1.364
  676    HB   VAL  87           HB       VAL  87   6.407  -4.807   2.268
  677   1HG1  VAL  87          1HG1      VAL  87   8.134  -6.948   3.501
  678   2HG1  VAL  87          2HG1      VAL  87   6.520  -6.523   4.068
  679   3HG1  VAL  87          3HG1      VAL  87   7.820  -5.333   4.135
  680   1HG2  VAL  87          1HG2      VAL  87   8.435  -4.212   1.480
  681   2HG2  VAL  87          2HG2      VAL  87   8.160  -5.544   0.356
  682   3HG2  VAL  87          3HG2      VAL  87   9.142  -5.795   1.800
  683    H    VAL  88           H        VAL  88   4.972  -8.952   1.461
  684    HA   VAL  88           HA       VAL  88   2.491  -8.079   2.433
  685    HB   VAL  88           HB       VAL  88   2.639 -10.174   1.256
  686   1HG1  VAL  88          1HG1      VAL  88   4.475 -11.405   1.578
  687   2HG1  VAL  88          2HG1      VAL  88   3.678 -12.038   3.019
  688   3HG1  VAL  88          3HG1      VAL  88   4.788 -10.675   3.152
  689   1HG2  VAL  88          1HG2      VAL  88   1.953 -11.235   3.922
  690   2HG2  VAL  88          2HG2      VAL  88   1.017 -11.219   2.427
  691   3HG2  VAL  88          3HG2      VAL  88   1.106  -9.769   3.429
  692    H    GLY  89           H        GLY  89   2.959  -6.734   4.224
  693   1HA   GLY  89          1HA       GLY  89   2.372  -7.196   6.657
  694   2HA   GLY  89          2HA       GLY  89   3.837  -8.165   6.650
  695    H    ALA  90           H        ALA  90   2.535  -5.123   7.235
  696    HA   ALA  90           HA       ALA  90   4.891  -3.553   6.713
  697   1HB   ALA  90          1HB       ALA  90   3.614  -1.755   7.206
  698   2HB   ALA  90          2HB       ALA  90   2.866  -2.530   8.603
  699   3HB   ALA  90          3HB       ALA  90   2.297  -2.906   6.977
  700    H    ASN  91           H        ASN  91   6.023  -5.437   8.035
  701    HA   ASN  91           HA       ASN  91   5.946  -5.383  10.842
  702   1HB   ASN  91          1HB       ASN  91   6.960  -7.223   9.559
  703   2HB   ASN  91          2HB       ASN  91   8.235  -6.141   9.010
  704   1HD2  ASN  91          1HD2      ASN  91  10.058  -6.305  10.075
  705   2HD2  ASN  91          2HD2      ASN  91  10.243  -6.808  11.717
  706    HA   PRO  92           HA       PRO  92   7.677  -1.449  11.955
  707   1HB   PRO  92          1HB       PRO  92   9.121  -3.193  13.922
  708   2HB   PRO  92          2HB       PRO  92   8.318  -1.638  14.182
  709   1HG   PRO  92          1HG       PRO  92   7.093  -3.875  14.882
  710   2HG   PRO  92          2HG       PRO  92   6.189  -2.574  14.084
  711   1HD   PRO  92          1HD       PRO  92   7.114  -5.182  12.986
  712   2HD   PRO  92          2HD       PRO  92   5.665  -4.238  12.588
  713    H    ALA  93           H        ALA  93   9.658  -4.282  11.341
  714    HA   ALA  93           HA       ALA  93  11.913  -2.513  10.668
  715   1HB   ALA  93          1HB       ALA  93  12.185  -4.232  12.542
  716   2HB   ALA  93          2HB       ALA  93  13.428  -4.178  11.294
  717   3HB   ALA  93          3HB       ALA  93  12.197  -5.440  11.256
  718    H    ALA  94           H        ALA  94  10.129  -2.606   8.702
  719    HA   ALA  94           HA       ALA  94  11.567  -3.802   6.574
  720   1HB   ALA  94          1HB       ALA  94  10.438  -5.821   7.403
  721   2HB   ALA  94          2HB       ALA  94   9.909  -5.389   5.777
  722   3HB   ALA  94          3HB       ALA  94   8.879  -5.031   7.162
  723    H    ILE  95           H        ILE  95   8.224  -2.830   7.345
  724    HA   ILE  95           HA       ILE  95   7.598  -1.739   4.878
  725    HB   ILE  95           HB       ILE  95   5.878  -2.078   6.489
  726   1HG1  ILE  95          1HG1      ILE  95   4.677   0.010   6.453
  727   2HG1  ILE  95          2HG1      ILE  95   6.165   0.918   6.211
  728   1HG2  ILE  95          1HG2      ILE  95   7.639  -0.468   8.230
  729   2HG2  ILE  95          2HG2      ILE  95   6.662  -1.888   8.602
  730   3HG2  ILE  95          3HG2      ILE  95   5.900  -0.302   8.472
  731   1HD1  ILE  95          1HD1      ILE  95   5.574   0.880   4.061
  732   2HD1  ILE  95          2HD1      ILE  95   4.465  -0.470   4.289
  733   3HD1  ILE  95          3HD1      ILE  95   6.188  -0.771   4.076
  734    H    LYS  96           H        LYS  96   9.994  -0.673   7.008
  735    HA   LYS  96           HA       LYS  96   9.782   2.124   6.189
  736   1HB   LYS  96          1HB       LYS  96  11.518   2.594   7.777
  737   2HB   LYS  96          2HB       LYS  96  10.342   1.546   8.554
  738   1HG   LYS  96          1HG       LYS  96  11.819  -0.375   8.164
  739   2HG   LYS  96          2HG       LYS  96  13.008   0.706   7.434
  740   1HD   LYS  96          1HD       LYS  96  13.033   1.985   9.590
  741   2HD   LYS  96          2HD       LYS  96  12.033   0.706  10.286
  742   1HE   LYS  96          1HE       LYS  96  14.785   0.366   9.098
  743   2HE   LYS  96          2HE       LYS  96  14.392   0.372  10.816
  744   1HZ   LYS  96          1HZ       LYS  96  14.543  -1.829   9.269
  745   2HZ   LYS  96          2HZ       LYS  96  12.878  -1.535   9.273
  746   3HZ   LYS  96          3HZ       LYS  96  13.704  -1.737  10.735
  747    H    GLN  97           H        GLN  97  12.128  -0.535   6.025
  748    HA   GLN  97           HA       GLN  97  13.936   0.855   4.333
  749   1HB   GLN  97          1HB       GLN  97  13.639  -2.112   4.827
  750   2HB   GLN  97          2HB       GLN  97  15.014  -1.343   4.045
  751   1HG   GLN  97          1HG       GLN  97  15.510  -0.132   6.105
  752   2HG   GLN  97          2HG       GLN  97  14.130  -0.900   6.888
  753   1HE2  GLN  97          1HE2      GLN  97  17.367  -1.005   6.629
  754   2HE2  GLN  97          2HE2      GLN  97  17.652  -2.669   6.995
  755    H    ALA  98           H        ALA  98  11.178  -1.225   3.795
  756    HA   ALA  98           HA       ALA  98  11.612  -1.872   1.100
  757   1HB   ALA  98          1HB       ALA  98   9.267  -2.377   0.982
  758   2HB   ALA  98          2HB       ALA  98   8.936  -1.388   2.405
  759   3HB   ALA  98          3HB       ALA  98   9.866  -2.877   2.563
  760    H    ILE  99           H        ILE  99  10.232   0.962   2.626
  761    HA   ILE  99           HA       ILE  99   9.597   2.207   0.082
  762    HB   ILE  99           HB       ILE  99   9.204   3.068   2.950
  763   1HG1  ILE  99          1HG1      ILE  99   6.838   2.803   2.429
  764   2HG1  ILE  99          2HG1      ILE  99   7.224   2.410   0.759
  765   1HG2  ILE  99          1HG2      ILE  99   7.869   4.958   1.966
  766   2HG2  ILE  99          2HG2      ILE  99   8.607   4.577   0.410
  767   3HG2  ILE  99          3HG2      ILE  99   9.616   5.089   1.762
  768   1HD1  ILE  99          1HD1      ILE  99   7.961   0.304   1.287
  769   2HD1  ILE  99          2HD1      ILE  99   6.652   0.530   2.445
  770   3HD1  ILE  99          3HD1      ILE  99   8.325   0.733   2.956
  771    H    ALA 100           H        ALA 100  12.297   1.947   2.056
  772    HA   ALA 100           HA       ALA 100  13.321   4.613   1.506
  773   1HB   ALA 100          1HB       ALA 100  13.660   3.002   3.638
  774   2HB   ALA 100          2HB       ALA 100  14.795   4.273   3.181
  775   3HB   ALA 100          3HB       ALA 100  15.107   2.601   2.712
  776    H    ALA 101           H        ALA 101  14.577   1.304   1.059
  777    HA   ALA 101           HA       ALA 101  16.601   1.946  -0.735
  778   1HB   ALA 101          1HB       ALA 101  16.418  -0.464  -1.447
  779   2HB   ALA 101          2HB       ALA 101  15.030  -0.594  -0.367
  780   3HB   ALA 101          3HB       ALA 101  16.620  -0.194   0.284
  781    H    ASN 102           H        ASN 102  13.174   1.552  -1.257
  782    HA   ASN 102           HA       ASN 102  13.424   1.411  -4.124
  783   1HB   ASN 102          1HB       ASN 102  11.062   1.615  -2.255
  784   2HB   ASN 102          2HB       ASN 102  10.920   1.532  -4.009
  785   1HD2  ASN 102          1HD2      ASN 102  13.549  -0.309  -3.260
  786   2HD2  ASN 102          2HD2      ASN 102  12.784  -1.847  -3.114
  787    H    ALA 103           H        ALA 103  11.721   3.657  -1.934
  788    HA   ALA 103           HA       ALA 103  11.775   5.721  -3.967
  789   1HB   ALA 103          1HB       ALA 103  10.707   5.851  -1.150
  790   2HB   ALA 103          2HB       ALA 103   9.778   5.358  -2.564
  791   3HB   ALA 103          3HB       ALA 103  10.400   7.003  -2.449
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -0.179  12.752   3.760
    2   2H    MET   1          2H        MET   1  -1.115  14.178   3.566
    3   3H    MET   1          3H        MET   1  -0.947  13.075   2.262
    4    HA   MET   1           HA       MET   1  -2.212  12.431   4.837
    5   1HB   MET   1          1HB       MET   1  -4.334  12.667   3.594
    6   2HB   MET   1          2HB       MET   1  -3.458  14.187   3.708
    7   1HG   MET   1          1HG       MET   1  -2.635  13.874   1.423
    8   2HG   MET   1          2HG       MET   1  -3.542  12.367   1.313
    9   1HE   MET   1          1HE       MET   1  -3.773  15.807   2.577
   10   2HE   MET   1          2HE       MET   1  -5.517  16.022   2.730
   11   3HE   MET   1          3HE       MET   1  -4.676  16.628   1.304
   12    H    VAL   2           H        VAL   2  -3.764  10.569   4.432
   13    HA   VAL   2           HA       VAL   2  -2.694   8.682   2.447
   14    HB   VAL   2           HB       VAL   2  -1.697   8.219   4.675
   15   1HG1  VAL   2          1HG1      VAL   2  -4.576   7.943   5.461
   16   2HG1  VAL   2          2HG1      VAL   2  -3.292   8.864   6.244
   17   3HG1  VAL   2          3HG1      VAL   2  -3.297   7.103   6.337
   18   1HG2  VAL   2          1HG2      VAL   2  -1.619   6.289   3.514
   19   2HG2  VAL   2          2HG2      VAL   2  -3.347   6.298   3.160
   20   3HG2  VAL   2          3HG2      VAL   2  -2.773   5.774   4.742
   21    H    THR   3           H        THR   3  -4.198   7.235   1.576
   22    HA   THR   3           HA       THR   3  -6.914   7.236   2.624
   23    HB   THR   3           HB       THR   3  -6.253   8.216  -0.157
   24    HG1  THR   3           HG1      THR   3  -7.406   9.473   2.102
   25   1HG2  THR   3          1HG2      THR   3  -8.736   8.684  -0.243
   26   2HG2  THR   3          2HG2      THR   3  -8.891   7.548   1.097
   27   3HG2  THR   3          3HG2      THR   3  -8.233   7.006  -0.447
   28    H    GLN   4           H        GLN   4  -8.326   5.699   1.533
   29    HA   GLN   4           HA       GLN   4  -6.872   3.288   0.740
   30   1HB   GLN   4          1HB       GLN   4  -9.844   3.627   1.189
   31   2HB   GLN   4          2HB       GLN   4  -8.933   2.124   1.164
   32   1HG   GLN   4          1HG       GLN   4  -7.866   2.662   3.231
   33   2HG   GLN   4          2HG       GLN   4  -8.556   4.282   3.225
   34   1HE2  GLN   4          1HE2      GLN   4  -8.809   1.367   4.617
   35   2HE2  GLN   4          2HE2      GLN   4 -10.482   1.369   5.046
   36    H    PHE   5           H        PHE   5  -8.657   1.975  -0.837
   37    HA   PHE   5           HA       PHE   5  -9.270   3.773  -3.067
   38   1HB   PHE   5          1HB       PHE   5  -7.676   1.219  -3.252
   39   2HB   PHE   5          2HB       PHE   5  -8.458   1.968  -4.651
   40    HD1  PHE   5           HD1      PHE   5  -7.935   4.857  -3.841
   41    HD2  PHE   5           HD2      PHE   5  -5.435   1.410  -3.950
   42    HE1  PHE   5           HE1      PHE   5  -5.975   6.297  -4.205
   43    HE2  PHE   5           HE2      PHE   5  -3.475   2.851  -4.318
   44    HZ   PHE   5           HZ       PHE   5  -3.742   5.292  -4.444
   45    H    LYS   6           H        LYS   6 -11.278   3.582  -3.679
   46    HA   LYS   6           HA       LYS   6 -12.713   1.068  -3.138
   47   1HB   LYS   6          1HB       LYS   6 -13.777   3.882  -3.463
   48   2HB   LYS   6          2HB       LYS   6 -14.773   2.455  -3.221
   49   1HG   LYS   6          1HG       LYS   6 -12.673   3.378  -1.275
   50   2HG   LYS   6          2HG       LYS   6 -14.376   3.823  -1.172
   51   1HD   LYS   6          1HD       LYS   6 -13.654   0.937  -1.376
   52   2HD   LYS   6          2HD       LYS   6 -13.424   1.764   0.165
   53   1HE   LYS   6          1HE       LYS   6 -15.609   0.673   0.049
   54   2HE   LYS   6          2HE       LYS   6 -15.767   2.424   0.179
   55   1HZ   LYS   6          1HZ       LYS   6 -15.864   1.020  -2.423
   56   2HZ   LYS   6          2HZ       LYS   6 -16.362   2.595  -2.069
   57   3HZ   LYS   6          3HZ       LYS   6 -17.247   1.277  -1.486
   58    H    THR   7           H        THR   7 -11.516   3.101  -5.594
   59    HA   THR   7           HA       THR   7 -12.858   1.466  -7.615
   60    HB   THR   7           HB       THR   7 -13.247   3.463  -9.025
   61    HG1  THR   7           HG1      THR   7 -12.390   5.271  -8.461
   62   1HG2  THR   7          1HG2      THR   7 -14.605   4.142  -6.474
   63   2HG2  THR   7          2HG2      THR   7 -14.936   2.581  -7.228
   64   3HG2  THR   7          3HG2      THR   7 -15.244   4.074  -8.116
   65    H    ALA   8           H        ALA   8 -11.421   0.656  -9.000
   66    HA   ALA   8           HA       ALA   8  -8.701   1.006  -8.819
   67   1HB   ALA   8          1HB       ALA   8 -10.235   0.205 -11.289
   68   2HB   ALA   8          2HB       ALA   8  -9.747  -0.876  -9.982
   69   3HB   ALA   8          3HB       ALA   8  -8.524  -0.097 -10.986
   70    H    SER   9           H        SER   9 -10.996   3.004 -10.471
   71    HA   SER   9           HA       SER   9  -9.305   4.298 -12.286
   72   1HB   SER   9          1HB       SER   9 -11.676   5.430 -10.775
   73   2HB   SER   9          2HB       SER   9 -10.941   6.147 -12.210
   74    HG   SER   9           HG       SER   9 -11.435   4.042 -13.230
   75    H    GLU  10           H        GLU  10  -9.434   4.415  -8.856
   76    HA   GLU  10           HA       GLU  10  -8.038   6.941  -8.693
   77   1HB   GLU  10          1HB       GLU  10  -8.928   5.042  -6.529
   78   2HB   GLU  10          2HB       GLU  10  -8.175   6.604  -6.245
   79   1HG   GLU  10          1HG       GLU  10 -10.051   7.718  -7.321
   80   2HG   GLU  10          2HG       GLU  10 -10.803   6.157  -7.641
   81    H    PHE  11           H        PHE  11  -7.476   3.544  -8.167
   82    HA   PHE  11           HA       PHE  11  -4.761   3.946  -7.303
   83   1HB   PHE  11          1HB       PHE  11  -6.299   2.113  -6.456
   84   2HB   PHE  11          2HB       PHE  11  -6.075   1.326  -8.011
   85    HD1  PHE  11           HD1      PHE  11  -5.393  -0.437  -6.128
   86    HD2  PHE  11           HD2      PHE  11  -3.070   2.937  -7.289
   87    HE1  PHE  11           HE1      PHE  11  -3.367  -1.530  -5.258
   88    HE2  PHE  11           HE2      PHE  11  -1.047   1.843  -6.428
   89    HZ   PHE  11           HZ       PHE  11  -1.198  -0.389  -5.412
   90    H    ASP  12           H        ASP  12  -6.106   4.241 -10.232
   91    HA   ASP  12           HA       ASP  12  -4.149   2.707 -11.741
   92   1HB   ASP  12          1HB       ASP  12  -6.463   2.791 -12.555
   93   2HB   ASP  12          2HB       ASP  12  -6.365   4.545 -12.678
   94    H    SER  13           H        SER  13  -4.818   5.998 -10.786
   95    HA   SER  13           HA       SER  13  -2.720   7.065 -12.495
   96   1HB   SER  13          1HB       SER  13  -3.400   9.254 -11.570
   97   2HB   SER  13          2HB       SER  13  -4.771   8.372 -12.240
   98    HG   SER  13           HG       SER  13  -5.407   7.834 -10.166
   99    H    ALA  14           H        ALA  14  -3.357   6.432  -9.100
  100    HA   ALA  14           HA       ALA  14  -1.353   7.763  -7.815
  101   1HB   ALA  14          1HB       ALA  14  -2.466   5.019  -7.307
  102   2HB   ALA  14          2HB       ALA  14  -2.886   6.537  -6.512
  103   3HB   ALA  14          3HB       ALA  14  -1.312   5.794  -6.221
  104    H    ILE  15           H        ILE  15  -1.060   4.729  -9.613
  105    HA   ILE  15           HA       ILE  15   1.773   4.539  -9.012
  106    HB   ILE  15           HB       ILE  15   1.749   2.500 -10.374
  107   1HG1  ILE  15          1HG1      ILE  15  -1.181   3.162 -10.763
  108   2HG1  ILE  15          2HG1      ILE  15   0.052   3.056 -12.017
  109   1HG2  ILE  15          1HG2      ILE  15   0.357   2.966  -7.926
  110   2HG2  ILE  15          2HG2      ILE  15   1.265   1.543  -8.438
  111   3HG2  ILE  15          3HG2      ILE  15  -0.452   1.676  -8.817
  112   1HD1  ILE  15          1HD1      ILE  15  -1.618   1.008 -10.970
  113   2HD1  ILE  15          2HD1      ILE  15   0.067   0.596 -10.649
  114   3HD1  ILE  15          3HD1      ILE  15  -0.461   0.931 -12.299
  115    H    ALA  16           H        ALA  16  -0.222   4.938 -11.939
  116    HA   ALA  16           HA       ALA  16   1.667   5.094 -13.871
  117   1HB   ALA  16          1HB       ALA  16  -0.830   6.732 -13.545
  118   2HB   ALA  16          2HB       ALA  16  -0.600   5.265 -14.496
  119   3HB   ALA  16          3HB       ALA  16   0.160   6.774 -15.004
  120    H    GLN  17           H        GLN  17   3.622   5.977 -13.436
  121    HA   GLN  17           HA       GLN  17   5.221   7.538 -12.945
  122   1HB   GLN  17          1HB       GLN  17   3.300   9.231 -14.552
  123   2HB   GLN  17          2HB       GLN  17   4.987   9.623 -14.245
  124   1HG   GLN  17          1HG       GLN  17   5.676   7.618 -15.458
  125   2HG   GLN  17          2HG       GLN  17   3.981   7.227 -15.768
  126   1HE2  GLN  17          1HE2      GLN  17   6.654   8.494 -17.120
  127   2HE2  GLN  17          2HE2      GLN  17   5.938   9.527 -18.305
  128    H    ASP  18           H        ASP  18   4.934   7.668 -10.680
  129    HA   ASP  18           HA       ASP  18   4.356  10.274  -9.745
  130   1HB   ASP  18          1HB       ASP  18   2.039   9.442 -10.012
  131   2HB   ASP  18          2HB       ASP  18   2.404   8.121  -8.907
  132    H    LYS  19           H        LYS  19   6.576   8.567  -9.561
  133    HA   LYS  19           HA       LYS  19   8.159   7.966  -8.029
  134   1HB   LYS  19          1HB       LYS  19   6.188   9.220  -6.133
  135   2HB   LYS  19          2HB       LYS  19   7.810   8.732  -5.676
  136   1HG   LYS  19          1HG       LYS  19   8.796  10.358  -7.074
  137   2HG   LYS  19          2HG       LYS  19   7.257  10.710  -7.867
  138   1HD   LYS  19          1HD       LYS  19   6.391  11.580  -5.732
  139   2HD   LYS  19          2HD       LYS  19   7.956  11.262  -4.984
  140   1HE   LYS  19          1HE       LYS  19   9.019  12.812  -6.546
  141   2HE   LYS  19          2HE       LYS  19   7.456  13.127  -7.300
  142   1HZ   LYS  19          1HZ       LYS  19   6.681  14.208  -5.393
  143   2HZ   LYS  19          2HZ       LYS  19   8.259  14.786  -5.588
  144   3HZ   LYS  19          3HZ       LYS  19   7.929  13.608  -4.420
  145    H    LEU  20           H        LEU  20   7.723   6.989  -5.373
  146    HA   LEU  20           HA       LEU  20   6.659   4.361  -6.067
  147   1HB   LEU  20          1HB       LEU  20   8.920   4.427  -5.180
  148   2HB   LEU  20          2HB       LEU  20   8.357   5.295  -3.751
  149    HG   LEU  20           HG       LEU  20   6.994   3.300  -3.143
  150   1HD1  LEU  20          1HD1      LEU  20   8.260   1.255  -4.517
  151   2HD1  LEU  20          2HD1      LEU  20   7.875   2.446  -5.760
  152   3HD1  LEU  20          3HD1      LEU  20   6.598   1.802  -4.729
  153   1HD2  LEU  20          1HD2      LEU  20   9.074   3.585  -2.032
  154   2HD2  LEU  20          2HD2      LEU  20   9.976   3.003  -3.432
  155   3HD2  LEU  20          3HD2      LEU  20   8.974   1.889  -2.502
  156    H    VAL  21           H        VAL  21   4.641   3.954  -5.544
  157    HA   VAL  21           HA       VAL  21   3.426   5.310  -3.244
  158    HB   VAL  21           HB       VAL  21   2.083   3.806  -5.497
  159   1HG1  VAL  21          1HG1      VAL  21   0.803   5.647  -3.493
  160   2HG1  VAL  21          2HG1      VAL  21   0.881   3.899  -3.278
  161   3HG1  VAL  21          3HG1      VAL  21   0.014   4.580  -4.652
  162   1HG2  VAL  21          1HG2      VAL  21   1.325   6.415  -5.733
  163   2HG2  VAL  21          2HG2      VAL  21   2.603   5.643  -6.674
  164   3HG2  VAL  21          3HG2      VAL  21   3.008   6.571  -5.229
  165    H    VAL  22           H        VAL  22   2.794   4.219  -1.482
  166    HA   VAL  22           HA       VAL  22   3.209   1.311  -1.456
  167    HB   VAL  22           HB       VAL  22   2.912   3.180   0.898
  168   1HG1  VAL  22          1HG1      VAL  22   4.288   0.607   1.216
  169   2HG1  VAL  22          2HG1      VAL  22   2.565   0.486   0.859
  170   3HG1  VAL  22          3HG1      VAL  22   3.111   1.405   2.262
  171   1HG2  VAL  22          1HG2      VAL  22   5.466   1.954  -0.112
  172   2HG2  VAL  22          2HG2      VAL  22   5.266   3.197   1.123
  173   3HG2  VAL  22          3HG2      VAL  22   4.931   3.572  -0.567
  174    H    VAL  23           H        VAL  23   1.376   0.247  -1.912
  175    HA   VAL  23           HA       VAL  23  -1.115   1.197  -0.662
  176    HB   VAL  23           HB       VAL  23  -0.878  -0.538  -3.123
  177   1HG1  VAL  23          1HG1      VAL  23  -3.189   0.715  -1.672
  178   2HG1  VAL  23          2HG1      VAL  23  -2.953  -0.972  -2.125
  179   3HG1  VAL  23          3HG1      VAL  23  -3.299   0.233  -3.364
  180   1HG2  VAL  23          1HG2      VAL  23  -0.258   1.372  -4.125
  181   2HG2  VAL  23          2HG2      VAL  23  -0.771   2.368  -2.764
  182   3HG2  VAL  23          3HG2      VAL  23  -1.952   1.823  -3.952
  183    H    ASP  24           H        ASP  24  -2.034  -0.042   0.808
  184    HA   ASP  24           HA       ASP  24  -1.015  -2.756   1.209
  185   1HB   ASP  24          1HB       ASP  24  -0.888  -1.232   3.128
  186   2HB   ASP  24          2HB       ASP  24  -2.635  -0.965   3.039
  187    H    PHE  25           H        PHE  25  -2.248  -4.503   0.803
  188    HA   PHE  25           HA       PHE  25  -5.018  -4.086  -0.022
  189   1HB   PHE  25          1HB       PHE  25  -2.989  -6.276  -0.448
  190   2HB   PHE  25          2HB       PHE  25  -4.695  -6.510  -0.818
  191    HD1  PHE  25           HD1      PHE  25  -2.209  -3.776  -1.460
  192    HD2  PHE  25           HD2      PHE  25  -5.127  -6.448  -3.017
  193    HE1  PHE  25           HE1      PHE  25  -1.804  -2.880  -3.720
  194    HE2  PHE  25           HE2      PHE  25  -4.753  -5.545  -5.270
  195    HZ   PHE  25           HZ       PHE  25  -3.097  -3.755  -5.628
  196    H    TYR  26           H        TYR  26  -4.869  -3.824   2.609
  197    HA   TYR  26           HA       TYR  26  -4.941  -6.101   4.205
  198   1HB   TYR  26          1HB       TYR  26  -6.414  -4.636   5.710
  199   2HB   TYR  26          2HB       TYR  26  -4.806  -4.033   5.326
  200    HD1  TYR  26           HD1      TYR  26  -8.198  -3.893   3.743
  201    HD2  TYR  26           HD2      TYR  26  -4.723  -1.751   4.938
  202    HE1  TYR  26           HE1      TYR  26  -9.183  -1.829   2.880
  203    HE2  TYR  26           HE2      TYR  26  -5.712   0.325   4.120
  204    HH   TYR  26           HH       TYR  26  -8.360   0.406   2.066
  205    H    ALA  27           H        ALA  27  -6.486  -7.586   4.727
  206    HA   ALA  27           HA       ALA  27  -8.572  -8.071   2.907
  207   1HB   ALA  27          1HB       ALA  27  -7.893  -9.173   5.602
  208   2HB   ALA  27          2HB       ALA  27  -7.915  -9.979   4.033
  209   3HB   ALA  27          3HB       ALA  27  -9.428  -9.585   4.842
  210    H    THR  28           H        THR  28 -10.773  -7.713   3.017
  211    HA   THR  28           HA       THR  28 -11.589  -5.349   4.275
  212    HB   THR  28           HB       THR  28 -12.681  -6.079   2.275
  213    HG1  THR  28           HG1      THR  28 -13.958  -4.954   3.866
  214   1HG2  THR  28          1HG2      THR  28 -13.603  -8.474   3.845
  215   2HG2  THR  28          2HG2      THR  28 -12.541  -8.466   2.437
  216   3HG2  THR  28          3HG2      THR  28 -14.233  -7.999   2.268
  217    H    TRP  29           H        TRP  29 -11.224  -8.474   5.501
  218    HA   TRP  29           HA       TRP  29 -13.041  -7.954   7.750
  219   1HB   TRP  29          1HB       TRP  29 -12.800 -10.468   8.143
  220   2HB   TRP  29          2HB       TRP  29 -13.670  -9.988   6.681
  221    HD1  TRP  29           HD1      TRP  29 -12.157 -10.075   4.343
  222    HE1  TRP  29           HE1      TRP  29 -10.355 -11.771   3.646
  223    HE3  TRP  29           HE3      TRP  29 -11.038 -12.034   8.944
  224    HZ2  TRP  29           HZ2      TRP  29  -8.679 -13.671   4.875
  225    HZ3  TRP  29           HZ3      TRP  29  -9.318 -13.776   9.089
  226    HH2  TRP  29           HH2      TRP  29  -8.164 -14.574   7.096
  227    H    CYS  30           H        CYS  30 -11.274 -10.360   8.885
  228    HA   CYS  30           HA       CYS  30  -9.616 -10.630  10.376
  229   1HB   CYS  30          1HB       CYS  30  -8.135 -10.115   8.540
  230   2HB   CYS  30          2HB       CYS  30  -8.415  -8.391   8.762
  231    HG   CYS  30           HG       CYS  30  -6.161  -9.692   9.933
  232    H    GLY  31           H        GLY  31  -9.220  -7.128   9.998
  233   1HA   GLY  31          1HA       GLY  31 -10.478  -5.677  11.620
  234   2HA   GLY  31          2HA       GLY  31  -9.975  -6.841  12.839
  235    HA   PRO  32           HA       PRO  32  -6.229  -4.774  13.881
  236   1HB   PRO  32          1HB       PRO  32  -4.767  -7.122  12.738
  237   2HB   PRO  32          2HB       PRO  32  -4.541  -6.304  14.288
  238   1HG   PRO  32          1HG       PRO  32  -5.832  -8.632  14.153
  239   2HG   PRO  32          2HG       PRO  32  -6.361  -7.355  15.262
  240   1HD   PRO  32          1HD       PRO  32  -7.585  -8.278  12.720
  241   2HD   PRO  32          2HD       PRO  32  -8.352  -7.565  14.152
  242    H    CYS  33           H        CYS  33  -6.441  -6.278  10.702
  243    HA   CYS  33           HA       CYS  33  -4.306  -5.040   9.416
  244   1HB   CYS  33          1HB       CYS  33  -7.014  -5.883   8.365
  245   2HB   CYS  33          2HB       CYS  33  -5.708  -5.302   7.325
  246    HG   CYS  33           HG       CYS  33  -5.933  -8.036   7.753
  247    H    LYS  34           H        LYS  34  -7.538  -3.847  10.136
  248    HA   LYS  34           HA       LYS  34  -7.328  -1.463   8.590
  249   1HB   LYS  34          1HB       LYS  34  -9.142  -2.119  10.918
  250   2HB   LYS  34          2HB       LYS  34  -9.328  -0.738   9.846
  251   1HG   LYS  34          1HG       LYS  34  -9.667  -2.256   7.957
  252   2HG   LYS  34          2HG       LYS  34  -9.501  -3.636   9.044
  253   1HD   LYS  34          1HD       LYS  34 -11.618  -1.493   9.216
  254   2HD   LYS  34          2HD       LYS  34 -11.853  -3.128   8.596
  255   1HE   LYS  34          1HE       LYS  34 -11.244  -4.033  10.797
  256   2HE   LYS  34          2HE       LYS  34 -11.046  -2.391  11.410
  257   1HZ   LYS  34          1HZ       LYS  34 -13.451  -3.914  10.987
  258   2HZ   LYS  34          2HZ       LYS  34 -13.535  -2.347  10.357
  259   3HZ   LYS  34          3HZ       LYS  34 -13.176  -2.581  11.993
  260    H    MET  35           H        MET  35  -6.031  -2.413  11.598
  261    HA   MET  35           HA       MET  35  -5.872   0.192  12.778
  262   1HB   MET  35          1HB       MET  35  -5.877  -1.904  14.107
  263   2HB   MET  35          2HB       MET  35  -4.317  -2.322  13.421
  264   1HG   MET  35          1HG       MET  35  -3.902  -1.474  15.575
  265   2HG   MET  35          2HG       MET  35  -3.416  -0.215  14.448
  266   1HE   MET  35          1HE       MET  35  -4.777   1.573  13.702
  267   2HE   MET  35          2HE       MET  35  -5.411   2.667  14.931
  268   3HE   MET  35          3HE       MET  35  -6.511   1.627  14.026
  269    H    ILE  36           H        ILE  36  -4.410  -1.058  10.131
  270    HA   ILE  36           HA       ILE  36  -1.747  -0.001  10.558
  271    HB   ILE  36           HB       ILE  36  -3.055  -1.331   8.188
  272   1HG1  ILE  36          1HG1      ILE  36  -0.927  -2.265  10.125
  273   2HG1  ILE  36          2HG1      ILE  36  -2.603  -2.805  10.092
  274   1HG2  ILE  36          1HG2      ILE  36  -0.421  -1.462   7.636
  275   2HG2  ILE  36          2HG2      ILE  36  -0.510   0.119   8.414
  276   3HG2  ILE  36          3HG2      ILE  36  -1.508  -0.226   7.002
  277   1HD1  ILE  36          1HD1      ILE  36  -0.919  -4.355   9.061
  278   2HD1  ILE  36          2HD1      ILE  36  -0.728  -3.162   7.777
  279   3HD1  ILE  36          3HD1      ILE  36  -2.293  -3.929   8.041
  280    H    ALA  37           H        ALA  37  -4.732   1.202   9.493
  281    HA   ALA  37           HA       ALA  37  -4.007   2.942   7.441
  282   1HB   ALA  37          1HB       ALA  37  -6.291   2.518   9.132
  283   2HB   ALA  37          2HB       ALA  37  -6.212   3.184   7.501
  284   3HB   ALA  37          3HB       ALA  37  -6.012   4.243   8.896
  285    HA   PRO  38           HA       PRO  38  -3.089   6.262  10.803
  286   1HB   PRO  38          1HB       PRO  38  -2.280   5.360  13.242
  287   2HB   PRO  38          2HB       PRO  38  -3.963   5.755  12.862
  288   1HG   PRO  38          1HG       PRO  38  -2.630   3.100  13.045
  289   2HG   PRO  38          2HG       PRO  38  -4.276   3.569  13.496
  290   1HD   PRO  38          1HD       PRO  38  -3.611   2.234  11.191
  291   2HD   PRO  38          2HD       PRO  38  -5.074   3.204  11.387
  292    H    MET  39           H        MET  39  -1.321   3.196  11.108
  293    HA   MET  39           HA       MET  39   1.223   4.300  11.492
  294   1HB   MET  39          1HB       MET  39   0.286   1.680  10.342
  295   2HB   MET  39          2HB       MET  39   1.957   2.049  10.642
  296   1HG   MET  39          1HG       MET  39   1.475   2.323  12.987
  297   2HG   MET  39          2HG       MET  39  -0.219   1.965  12.694
  298   1HE   MET  39          1HE       MET  39   3.179  -1.092  12.036
  299   2HE   MET  39          2HE       MET  39   3.457   0.524  12.686
  300   3HE   MET  39          3HE       MET  39   2.916   0.326  11.019
  301    H    ILE  40           H        ILE  40  -0.301   2.955   8.561
  302    HA   ILE  40           HA       ILE  40   1.603   3.534   6.681
  303    HB   ILE  40           HB       ILE  40  -1.407   3.682   6.443
  304   1HG1  ILE  40          1HG1      ILE  40   0.596   1.584   5.584
  305   2HG1  ILE  40          2HG1      ILE  40  -0.484   1.477   6.968
  306   1HG2  ILE  40          1HG2      ILE  40  -0.653   5.018   4.651
  307   2HG2  ILE  40          2HG2      ILE  40  -0.938   3.425   3.952
  308   3HG2  ILE  40          3HG2      ILE  40   0.707   3.946   4.315
  309   1HD1  ILE  40          1HD1      ILE  40  -1.064   0.329   4.674
  310   2HD1  ILE  40          2HD1      ILE  40  -1.682   1.934   4.290
  311   3HD1  ILE  40          3HD1      ILE  40  -2.320   1.053   5.678
  312    H    GLU  41           H        GLU  41  -0.515   5.749   8.335
  313    HA   GLU  41           HA       GLU  41  -0.050   7.954   6.550
  314   1HB   GLU  41          1HB       GLU  41  -2.145   7.769   7.782
  315   2HB   GLU  41          2HB       GLU  41  -1.278   7.844   9.310
  316   1HG   GLU  41          1HG       GLU  41  -0.549  10.117   8.777
  317   2HG   GLU  41          2HG       GLU  41  -1.430  10.040   7.252
  318    H    LYS  42           H        LYS  42   1.385   6.728   9.485
  319    HA   LYS  42           HA       LYS  42   2.794   9.123  10.144
  320   1HB   LYS  42          1HB       LYS  42   3.183   6.269  11.049
  321   2HB   LYS  42          2HB       LYS  42   4.055   7.645  11.712
  322   1HG   LYS  42          1HG       LYS  42   1.937   8.627  12.449
  323   2HG   LYS  42          2HG       LYS  42   1.074   7.233  11.799
  324   1HD   LYS  42          1HD       LYS  42   1.392   7.008  14.204
  325   2HD   LYS  42          2HD       LYS  42   2.296   5.766  13.334
  326   1HE   LYS  42          1HE       LYS  42   4.341   7.076  13.577
  327   2HE   LYS  42          2HE       LYS  42   3.442   8.337  14.420
  328   1HZ   LYS  42          1HZ       LYS  42   4.640   6.843  15.931
  329   2HZ   LYS  42          2HZ       LYS  42   3.721   5.537  15.370
  330   3HZ   LYS  42          3HZ       LYS  42   2.968   6.808  16.195
  331    H    PHE  43           H        PHE  43   3.327   6.684   7.818
  332    HA   PHE  43           HA       PHE  43   6.203   7.103   7.754
  333   1HB   PHE  43          1HB       PHE  43   4.389   5.324   6.129
  334   2HB   PHE  43          2HB       PHE  43   6.122   5.453   5.855
  335    HD1  PHE  43           HD1      PHE  43   3.856   4.982   8.785
  336    HD2  PHE  43           HD2      PHE  43   7.363   3.743   6.722
  337    HE1  PHE  43           HE1      PHE  43   4.248   3.259  10.499
  338    HE2  PHE  43           HE2      PHE  43   7.764   2.017   8.429
  339    HZ   PHE  43           HZ       PHE  43   6.206   1.773  10.321
  340    H    SER  44           H        SER  44   3.398   8.336   6.224
  341    HA   SER  44           HA       SER  44   4.541   9.088   3.748
  342   1HB   SER  44          1HB       SER  44   2.591  10.600   3.545
  343   2HB   SER  44          2HB       SER  44   2.121   8.968   4.048
  344    HG   SER  44           HG       SER  44   2.508  11.165   5.808
  345    H    GLU  45           H        GLU  45   5.190  10.250   6.843
  346    HA   GLU  45           HA       GLU  45   5.747  12.970   5.971
  347   1HB   GLU  45          1HB       GLU  45   6.345  13.401   8.291
  348   2HB   GLU  45          2HB       GLU  45   4.780  12.605   8.200
  349   1HG   GLU  45          1HG       GLU  45   5.842  10.476   8.760
  350   2HG   GLU  45          2HG       GLU  45   7.399  11.289   8.879
  351    H    GLN  46           H        GLN  46   7.412   9.978   6.518
  352    HA   GLN  46           HA       GLN  46  10.027  11.248   6.482
  353   1HB   GLN  46          1HB       GLN  46   9.237   8.339   6.658
  354   2HB   GLN  46          2HB       GLN  46  10.886   8.943   6.758
  355   1HG   GLN  46          1HG       GLN  46  10.308  10.207   8.755
  356   2HG   GLN  46          2HG       GLN  46   8.652   9.614   8.655
  357   1HE2  GLN  46          1HE2      GLN  46   8.235   8.039  10.008
  358   2HE2  GLN  46          2HE2      GLN  46   9.357   6.819  10.547
  359    H    TYR  47           H        TYR  47   7.886   9.519   4.340
  360    HA   TYR  47           HA       TYR  47   9.922   9.756   2.222
  361   1HB   TYR  47          1HB       TYR  47   7.840   7.595   2.579
  362   2HB   TYR  47          2HB       TYR  47   8.873   7.766   1.162
  363    HD1  TYR  47           HD1      TYR  47  11.423   7.693   1.563
  364    HD2  TYR  47           HD2      TYR  47   8.556   6.353   4.401
  365    HE1  TYR  47           HE1      TYR  47  13.162   6.353   2.672
  366    HE2  TYR  47           HE2      TYR  47  10.286   4.997   5.517
  367    HH   TYR  47           HH       TYR  47  12.471   3.949   4.924
  368    HA   PRO  48           HA       PRO  48   5.797  12.300   1.666
  369   1HB   PRO  48          1HB       PRO  48   8.062  14.018   0.740
  370   2HB   PRO  48          2HB       PRO  48   6.538  14.490   1.501
  371   1HG   PRO  48          1HG       PRO  48   8.839  14.338   2.891
  372   2HG   PRO  48          2HG       PRO  48   7.269  13.953   3.615
  373   1HD   PRO  48          1HD       PRO  48   9.496  12.160   2.935
  374   2HD   PRO  48          2HD       PRO  48   8.108  11.881   4.007
  375    H    GLN  49           H        GLN  49   8.677  11.801  -0.300
  376    HA   GLN  49           HA       GLN  49   7.572  12.389  -2.803
  377   1HB   GLN  49          1HB       GLN  49   9.758  10.406  -2.139
  378   2HB   GLN  49          2HB       GLN  49   9.408  11.029  -3.748
  379   1HG   GLN  49          1HG       GLN  49   9.963  13.285  -2.997
  380   2HG   GLN  49          2HG       GLN  49  10.310  12.663  -1.383
  381   1HE2  GLN  49          1HE2      GLN  49  11.702  13.655  -4.147
  382   2HE2  GLN  49          2HE2      GLN  49  13.185  12.771  -4.078
  383    H    ALA  50           H        ALA  50   7.454   9.500  -0.849
  384    HA   ALA  50           HA       ALA  50   6.173   7.961  -2.954
  385   1HB   ALA  50          1HB       ALA  50   6.047   6.261  -0.970
  386   2HB   ALA  50          2HB       ALA  50   7.219   7.350  -0.225
  387   3HB   ALA  50          3HB       ALA  50   7.587   6.581  -1.769
  388    H    ASP  51           H        ASP  51   4.037   7.552  -3.095
  389    HA   ASP  51           HA       ASP  51   2.275   9.001  -1.290
  390   1HB   ASP  51          1HB       ASP  51   1.663   7.447  -3.815
  391   2HB   ASP  51          2HB       ASP  51   0.505   8.415  -2.910
  392    H    PHE  52           H        PHE  52   1.310   8.074   0.379
  393    HA   PHE  52           HA       PHE  52   1.329   5.158   0.564
  394   1HB   PHE  52          1HB       PHE  52   0.863   7.291   2.656
  395   2HB   PHE  52          2HB       PHE  52   0.781   5.551   2.971
  396    HD1  PHE  52           HD1      PHE  52   3.123   7.954   1.320
  397    HD2  PHE  52           HD2      PHE  52   2.638   4.626   3.926
  398    HE1  PHE  52           HE1      PHE  52   5.553   7.906   1.706
  399    HE2  PHE  52           HE2      PHE  52   5.066   4.573   4.318
  400    HZ   PHE  52           HZ       PHE  52   6.527   6.215   3.208
  401    H    TYR  53           H        TYR  53  -0.388   4.358  -0.465
  402    HA   TYR  53           HA       TYR  53  -3.047   5.387   0.277
  403   1HB   TYR  53          1HB       TYR  53  -2.026   4.200  -2.291
  404   2HB   TYR  53          2HB       TYR  53  -3.743   4.194  -1.909
  405    HD1  TYR  53           HD1      TYR  53  -4.744   6.535  -1.242
  406    HD2  TYR  53           HD2      TYR  53  -1.144   5.998  -3.445
  407    HE1  TYR  53           HE1      TYR  53  -4.955   8.814  -2.136
  408    HE2  TYR  53           HE2      TYR  53  -1.344   8.278  -4.341
  409    HH   TYR  53           HH       TYR  53  -2.412  10.375  -3.822
  410    H    LYS  54           H        LYS  54  -4.707   3.445  -0.353
  411    HA   LYS  54           HA       LYS  54  -3.669   0.930   0.718
  412   1HB   LYS  54          1HB       LYS  54  -6.257   1.996   1.803
  413   2HB   LYS  54          2HB       LYS  54  -5.194   0.764   2.468
  414   1HG   LYS  54          1HG       LYS  54  -3.625   2.371   3.203
  415   2HG   LYS  54          2HG       LYS  54  -4.415   3.659   2.294
  416   1HD   LYS  54          1HD       LYS  54  -6.389   3.450   3.726
  417   2HD   LYS  54          2HD       LYS  54  -5.592   2.170   4.642
  418   1HE   LYS  54          1HE       LYS  54  -4.716   5.042   4.399
  419   2HE   LYS  54          2HE       LYS  54  -5.411   4.268   5.824
  420   1HZ   LYS  54          1HZ       LYS  54  -2.754   3.849   4.618
  421   2HZ   LYS  54          2HZ       LYS  54  -3.436   2.692   5.644
  422   3HZ   LYS  54          3HZ       LYS  54  -3.141   4.260   6.213
  423    H    LEU  55           H        LEU  55  -5.110  -0.892   0.324
  424    HA   LEU  55           HA       LEU  55  -6.923  -0.384  -1.942
  425   1HB   LEU  55          1HB       LEU  55  -4.768  -1.605  -2.450
  426   2HB   LEU  55          2HB       LEU  55  -5.359  -2.908  -1.443
  427    HG   LEU  55           HG       LEU  55  -5.684  -3.315  -3.864
  428   1HD1  LEU  55          1HD1      LEU  55  -7.307  -3.988  -1.846
  429   2HD1  LEU  55          2HD1      LEU  55  -7.596  -4.466  -3.519
  430   3HD1  LEU  55          3HD1      LEU  55  -8.441  -3.076  -2.841
  431   1HD2  LEU  55          1HD2      LEU  55  -6.292  -0.745  -4.117
  432   2HD2  LEU  55          2HD2      LEU  55  -7.927  -1.380  -3.930
  433   3HD2  LEU  55          3HD2      LEU  55  -6.896  -1.969  -5.234
  434    H    ASP  56           H        ASP  56  -8.954  -1.124  -1.816
  435    HA   ASP  56           HA       ASP  56  -9.811  -2.361   0.660
  436   1HB   ASP  56          1HB       ASP  56 -11.062  -0.472  -0.490
  437   2HB   ASP  56          2HB       ASP  56 -11.520  -1.641  -1.728
  438    H    VAL  57           H        VAL  57  -9.765  -4.497   0.879
  439    HA   VAL  57           HA       VAL  57  -9.539  -6.251  -1.361
  440    HB   VAL  57           HB       VAL  57  -9.783  -6.755   1.609
  441   1HG1  VAL  57          1HG1      VAL  57  -8.931  -9.123   0.751
  442   2HG1  VAL  57          2HG1      VAL  57  -9.866  -8.679  -0.676
  443   3HG1  VAL  57          3HG1      VAL  57 -10.652  -8.766   0.900
  444   1HG2  VAL  57          1HG2      VAL  57  -7.455  -7.353   1.429
  445   2HG2  VAL  57          2HG2      VAL  57  -7.690  -5.771   0.688
  446   3HG2  VAL  57          3HG2      VAL  57  -7.502  -7.201  -0.328
  447    H    ASP  58           H        ASP  58 -12.214  -4.754  -0.087
  448    HA   ASP  58           HA       ASP  58 -14.005  -6.996  -0.723
  449   1HB   ASP  58          1HB       ASP  58 -14.420  -5.934   1.439
  450   2HB   ASP  58          2HB       ASP  58 -14.590  -4.367   0.662
  451    H    GLU  59           H        GLU  59 -13.604  -3.520  -1.336
  452    HA   GLU  59           HA       GLU  59 -15.510  -3.493  -3.468
  453   1HB   GLU  59          1HB       GLU  59 -14.967  -1.517  -2.026
  454   2HB   GLU  59          2HB       GLU  59 -13.397  -1.430  -2.814
  455   1HG   GLU  59          1HG       GLU  59 -14.876   0.171  -3.806
  456   2HG   GLU  59          2HG       GLU  59 -14.539  -1.102  -4.975
  457    H    LEU  60           H        LEU  60 -11.985  -3.582  -3.237
  458    HA   LEU  60           HA       LEU  60 -11.865  -4.036  -6.147
  459   1HB   LEU  60          1HB       LEU  60  -9.751  -2.951  -4.284
  460   2HB   LEU  60          2HB       LEU  60  -9.482  -3.329  -5.973
  461    HG   LEU  60           HG       LEU  60 -11.168  -1.616  -6.593
  462   1HD1  LEU  60          1HD1      LEU  60 -11.381   0.034  -4.447
  463   2HD1  LEU  60          2HD1      LEU  60 -11.498  -1.550  -3.683
  464   3HD1  LEU  60          3HD1      LEU  60 -12.621  -1.106  -4.967
  465   1HD2  LEU  60          1HD2      LEU  60  -8.580  -1.273  -6.089
  466   2HD2  LEU  60          2HD2      LEU  60  -9.230  -0.179  -4.869
  467   3HD2  LEU  60          3HD2      LEU  60  -9.632   0.060  -6.570
  468    H    GLY  61           H        GLY  61 -12.520  -6.103  -4.327
  469   1HA   GLY  61          1HA       GLY  61 -10.437  -7.678  -3.410
  470   2HA   GLY  61          2HA       GLY  61 -11.979  -8.305  -3.967
  471    H    ASP  62           H        ASP  62 -11.404  -7.093  -6.684
  472    HA   ASP  62           HA       ASP  62 -10.308  -9.403  -7.867
  473   1HB   ASP  62          1HB       ASP  62 -10.744  -6.686  -9.034
  474   2HB   ASP  62          2HB       ASP  62 -10.390  -8.128  -9.966
  475    H    VAL  63           H        VAL  63  -8.912  -6.385  -6.825
  476    HA   VAL  63           HA       VAL  63  -6.440  -6.788  -8.250
  477    HB   VAL  63           HB       VAL  63  -6.842  -4.883  -5.948
  478   1HG1  VAL  63          1HG1      VAL  63  -4.916  -3.911  -6.593
  479   2HG1  VAL  63          2HG1      VAL  63  -5.249  -4.147  -8.309
  480   3HG1  VAL  63          3HG1      VAL  63  -4.604  -5.476  -7.345
  481   1HG2  VAL  63          1HG2      VAL  63  -7.589  -4.462  -8.841
  482   2HG2  VAL  63          2HG2      VAL  63  -7.526  -3.195  -7.615
  483   3HG2  VAL  63          3HG2      VAL  63  -8.690  -4.511  -7.464
  484    H    ALA  64           H        ALA  64  -7.744  -7.592  -5.128
  485    HA   ALA  64           HA       ALA  64  -5.233  -8.169  -3.846
  486   1HB   ALA  64          1HB       ALA  64  -7.746  -9.498  -2.971
  487   2HB   ALA  64          2HB       ALA  64  -7.657  -7.741  -2.850
  488   3HB   ALA  64          3HB       ALA  64  -6.472  -8.744  -2.014
  489    H    GLN  65           H        GLN  65  -7.424  -9.801  -5.971
  490    HA   GLN  65           HA       GLN  65  -6.230 -12.412  -5.516
  491   1HB   GLN  65          1HB       GLN  65  -8.647 -12.284  -5.851
  492   2HB   GLN  65          2HB       GLN  65  -8.408 -11.514  -7.415
  493   1HG   GLN  65          1HG       GLN  65  -7.314 -13.541  -8.238
  494   2HG   GLN  65          2HG       GLN  65  -7.574 -14.311  -6.674
  495   1HE2  GLN  65          1HE2      GLN  65  -9.211 -15.655  -6.666
  496   2HE2  GLN  65          2HE2      GLN  65 -10.666 -15.507  -7.585
  497    H    LYS  66           H        LYS  66  -6.262  -9.838  -7.925
  498    HA   LYS  66           HA       LYS  66  -5.010 -11.231 -10.018
  499   1HB   LYS  66          1HB       LYS  66  -4.623  -9.136 -11.036
  500   2HB   LYS  66          2HB       LYS  66  -6.099  -8.918 -10.108
  501   1HG   LYS  66          1HG       LYS  66  -4.824  -7.820  -8.342
  502   2HG   LYS  66          2HG       LYS  66  -3.348  -8.020  -9.282
  503   1HD   LYS  66          1HD       LYS  66  -5.786  -6.455 -10.131
  504   2HD   LYS  66          2HD       LYS  66  -4.275  -5.768  -9.533
  505   1HE   LYS  66          1HE       LYS  66  -4.609  -7.419 -12.034
  506   2HE   LYS  66          2HE       LYS  66  -4.383  -5.672 -11.969
  507   1HZ   LYS  66          1HZ       LYS  66  -2.444  -7.813 -11.572
  508   2HZ   LYS  66          2HZ       LYS  66  -2.264  -6.437 -10.606
  509   3HZ   LYS  66          3HZ       LYS  66  -2.249  -6.294 -12.290
  510    H    ASN  67           H        ASN  67  -3.635  -9.244  -7.412
  511    HA   ASN  67           HA       ASN  67  -0.936  -9.876  -8.146
  512   1HB   ASN  67          1HB       ASN  67  -2.132  -8.459  -5.755
  513   2HB   ASN  67          2HB       ASN  67  -0.405  -8.595  -6.086
  514   1HD2  ASN  67          1HD2      ASN  67  -2.961  -6.602  -6.312
  515   2HD2  ASN  67          2HD2      ASN  67  -2.449  -5.599  -7.642
  516    H    GLU  68           H        GLU  68  -3.331 -11.581  -6.635
  517    HA   GLU  68           HA       GLU  68  -3.390 -13.483  -5.408
  518   1HB   GLU  68          1HB       GLU  68  -0.404 -13.509  -5.889
  519   2HB   GLU  68          2HB       GLU  68  -1.360 -14.864  -5.303
  520   1HG   GLU  68          1HG       GLU  68  -1.717 -13.526  -7.973
  521   2HG   GLU  68          2HG       GLU  68  -0.823 -15.022  -7.698
  522    H    VAL  69           H        VAL  69  -3.364 -11.092  -3.978
  523    HA   VAL  69           HA       VAL  69  -1.599 -11.653  -1.693
  524    HB   VAL  69           HB       VAL  69  -3.225  -9.168  -2.261
  525   1HG1  VAL  69          1HG1      VAL  69  -2.862  -9.500   0.112
  526   2HG1  VAL  69          2HG1      VAL  69  -1.866  -8.169  -0.471
  527   3HG1  VAL  69          3HG1      VAL  69  -1.135  -9.746  -0.159
  528   1HG2  VAL  69          1HG2      VAL  69  -1.042  -9.931  -3.650
  529   2HG2  VAL  69          2HG2      VAL  69  -0.278  -9.079  -2.308
  530   3HG2  VAL  69          3HG2      VAL  69  -1.458  -8.248  -3.323
  531    H    SER  70           H        SER  70  -2.521 -12.963  -0.247
  532    HA   SER  70           HA       SER  70  -5.190 -12.283   0.711
  533   1HB   SER  70          1HB       SER  70  -5.650 -14.059  -0.793
  534   2HB   SER  70          2HB       SER  70  -4.320 -15.013  -0.129
  535    HG   SER  70           HG       SER  70  -6.836 -14.999   0.649
  536    H    ALA  71           H        ALA  71  -2.293 -12.127   1.656
  537    HA   ALA  71           HA       ALA  71  -2.504 -13.713   4.115
  538   1HB   ALA  71          1HB       ALA  71  -0.354 -14.065   3.544
  539   2HB   ALA  71          2HB       ALA  71  -0.091 -12.495   4.302
  540   3HB   ALA  71          3HB       ALA  71  -0.270 -12.611   2.552
  541    H    MET  72           H        MET  72  -4.203 -11.510   3.636
  542    HA   MET  72           HA       MET  72  -3.999  -9.072   4.360
  543   1HB   MET  72          1HB       MET  72  -6.005  -9.187   5.736
  544   2HB   MET  72          2HB       MET  72  -6.128 -10.181   4.295
  545   1HG   MET  72          1HG       MET  72  -5.429 -11.235   7.017
  546   2HG   MET  72          2HG       MET  72  -7.058 -11.214   6.355
  547   1HE   MET  72          1HE       MET  72  -6.139 -12.086   3.097
  548   2HE   MET  72          2HE       MET  72  -7.615 -12.193   4.059
  549   3HE   MET  72          3HE       MET  72  -6.883 -13.656   3.400
  550    HA   PRO  73           HA       PRO  73  -3.655  -7.368   4.863
  551   1HB   PRO  73          1HB       PRO  73  -2.020  -5.411   5.608
  552   2HB   PRO  73          2HB       PRO  73  -3.513  -5.743   6.510
  553   1HG   PRO  73          1HG       PRO  73  -0.698  -6.459   7.165
  554   2HG   PRO  73          2HG       PRO  73  -2.002  -5.926   8.236
  555   1HD   PRO  73          1HD       PRO  73  -1.197  -8.573   7.838
  556   2HD   PRO  73          2HD       PRO  73  -2.737  -8.053   8.555
  557    H    THR  74           H        THR  74  -1.700  -5.797   3.747
  558    HA   THR  74           HA       THR  74   0.706  -7.278   3.265
  559    HB   THR  74           HB       THR  74  -1.369  -7.116   1.079
  560    HG1  THR  74           HG1      THR  74  -0.232  -9.530   1.598
  561   1HG2  THR  74          1HG2      THR  74   0.256  -8.355  -0.307
  562   2HG2  THR  74          2HG2      THR  74   1.479  -8.075   0.928
  563   3HG2  THR  74          3HG2      THR  74   0.770  -6.711   0.065
  564    H    LEU  75           H        LEU  75   2.125  -6.209   1.671
  565    HA   LEU  75           HA       LEU  75   1.473  -3.357   1.335
  566   1HB   LEU  75          1HB       LEU  75   4.162  -4.518   2.057
  567   2HB   LEU  75          2HB       LEU  75   3.833  -2.826   1.746
  568    HG   LEU  75           HG       LEU  75   2.791  -4.460   4.059
  569   1HD1  LEU  75          1HD1      LEU  75   4.900  -3.940   4.715
  570   2HD1  LEU  75          2HD1      LEU  75   4.087  -2.447   5.185
  571   3HD1  LEU  75          3HD1      LEU  75   4.994  -2.519   3.675
  572   1HD2  LEU  75          1HD2      LEU  75   1.047  -3.027   3.869
  573   2HD2  LEU  75          2HD2      LEU  75   1.975  -1.847   2.944
  574   3HD2  LEU  75          3HD2      LEU  75   2.162  -1.939   4.695
  575    H    LEU  76           H        LEU  76   1.482  -2.766  -0.723
  576    HA   LEU  76           HA       LEU  76   3.219  -4.231  -2.602
  577   1HB   LEU  76          1HB       LEU  76   0.477  -3.050  -3.077
  578   2HB   LEU  76          2HB       LEU  76   1.504  -3.701  -4.350
  579    HG   LEU  76           HG       LEU  76   0.137  -5.189  -2.117
  580   1HD1  LEU  76          1HD1      LEU  76  -0.577  -4.624  -4.742
  581   2HD1  LEU  76          2HD1      LEU  76  -1.309  -5.822  -3.675
  582   3HD1  LEU  76          3HD1      LEU  76  -0.015  -6.294  -4.778
  583   1HD2  LEU  76          1HD2      LEU  76   1.293  -7.193  -2.769
  584   2HD2  LEU  76          2HD2      LEU  76   2.482  -5.972  -2.322
  585   3HD2  LEU  76          3HD2      LEU  76   2.177  -6.324  -4.022
  586    H    LEU  77           H        LEU  77   4.742  -3.026  -3.562
  587    HA   LEU  77           HA       LEU  77   4.382  -0.103  -3.540
  588   1HB   LEU  77          1HB       LEU  77   6.932  -1.724  -3.650
  589   2HB   LEU  77          2HB       LEU  77   6.844   0.026  -3.689
  590    HG   LEU  77           HG       LEU  77   5.828  -0.011  -1.419
  591   1HD1  LEU  77          1HD1      LEU  77   6.322  -2.253  -0.192
  592   2HD1  LEU  77          2HD1      LEU  77   6.182  -2.947  -1.808
  593   3HD1  LEU  77          3HD1      LEU  77   4.828  -2.059  -1.109
  594   1HD2  LEU  77          1HD2      LEU  77   7.858  -0.063  -0.367
  595   2HD2  LEU  77          2HD2      LEU  77   8.382   0.036  -2.049
  596   3HD2  LEU  77          3HD2      LEU  77   8.384  -1.517  -1.214
  597    H    PHE  78           H        PHE  78   4.856   1.095  -5.387
  598    HA   PHE  78           HA       PHE  78   5.440  -0.362  -7.864
  599   1HB   PHE  78          1HB       PHE  78   3.078   1.509  -7.554
  600   2HB   PHE  78          2HB       PHE  78   3.514   0.598  -8.994
  601    HD1  PHE  78           HD1      PHE  78   3.422  -1.942  -8.878
  602    HD2  PHE  78           HD2      PHE  78   1.705   0.589  -5.918
  603    HE1  PHE  78           HE1      PHE  78   2.028  -3.813  -8.088
  604    HE2  PHE  78           HE2      PHE  78   0.313  -1.275  -5.126
  605    HZ   PHE  78           HZ       PHE  78   0.465  -3.475  -6.210
  606    H    LYS  79           H        LYS  79   6.854   0.767  -9.137
  607    HA   LYS  79           HA       LYS  79   7.203   3.633  -8.509
  608   1HB   LYS  79          1HB       LYS  79   9.165   1.634  -9.640
  609   2HB   LYS  79          2HB       LYS  79   9.477   3.361  -9.541
  610   1HG   LYS  79          1HG       LYS  79   9.199   3.224  -7.082
  611   2HG   LYS  79          2HG       LYS  79   9.026   1.476  -7.234
  612   1HD   LYS  79          1HD       LYS  79  11.430   3.130  -8.002
  613   2HD   LYS  79          2HD       LYS  79  11.306   2.019  -6.637
  614   1HE   LYS  79          1HE       LYS  79  10.980   0.156  -8.212
  615   2HE   LYS  79          2HE       LYS  79  11.151   1.279  -9.558
  616   1HZ   LYS  79          1HZ       LYS  79  13.216   0.508  -7.576
  617   2HZ   LYS  79          2HZ       LYS  79  13.399   1.810  -8.639
  618   3HZ   LYS  79          3HZ       LYS  79  13.234   0.242  -9.247
  619    H    ASN  80           H        ASN  80   6.803   5.128 -10.034
  620    HA   ASN  80           HA       ASN  80   5.968   5.993 -11.977
  621   1HB   ASN  80          1HB       ASN  80   8.156   4.226 -13.086
  622   2HB   ASN  80          2HB       ASN  80   7.395   5.560 -13.948
  623   1HD2  ASN  80          1HD2      ASN  80   8.565   7.323 -13.961
  624   2HD2  ASN  80          2HD2      ASN  80   9.630   7.857 -12.710
  625    H    GLY  81           H        GLY  81   4.041   4.482 -11.434
  626   1HA   GLY  81          1HA       GLY  81   2.348   3.131 -12.159
  627   2HA   GLY  81          2HA       GLY  81   2.841   3.649 -13.766
  628    H    LYS  82           H        LYS  82   5.106   1.892 -11.840
  629    HA   LYS  82           HA       LYS  82   4.512  -0.565 -13.350
  630   1HB   LYS  82          1HB       LYS  82   7.245   0.582 -12.734
  631   2HB   LYS  82          2HB       LYS  82   6.951  -0.978 -13.485
  632   1HG   LYS  82          1HG       LYS  82   5.931   0.099 -15.400
  633   2HG   LYS  82          2HG       LYS  82   6.161   1.677 -14.649
  634   1HD   LYS  82          1HD       LYS  82   8.588   1.329 -14.673
  635   2HD   LYS  82          2HD       LYS  82   8.350  -0.244 -15.435
  636   1HE   LYS  82          1HE       LYS  82   7.316   0.843 -17.363
  637   2HE   LYS  82          2HE       LYS  82   7.538   2.416 -16.600
  638   1HZ   LYS  82          1HZ       LYS  82   9.838   2.292 -16.848
  639   2HZ   LYS  82          2HZ       LYS  82   9.249   1.686 -18.313
  640   3HZ   LYS  82          3HZ       LYS  82   9.827   0.624 -17.130
  641    H    GLU  83           H        GLU  83   6.660  -1.992 -12.049
  642    HA   GLU  83           HA       GLU  83   5.459  -2.256  -9.380
  643   1HB   GLU  83          1HB       GLU  83   5.227  -4.218 -10.860
  644   2HB   GLU  83          2HB       GLU  83   6.971  -4.282 -11.054
  645   1HG   GLU  83          1HG       GLU  83   7.273  -4.895  -8.769
  646   2HG   GLU  83          2HG       GLU  83   5.569  -4.611  -8.412
  647    H    VAL  84           H        VAL  84   7.170  -3.301  -7.793
  648    HA   VAL  84           HA       VAL  84   9.890  -2.506  -8.213
  649    HB   VAL  84           HB       VAL  84   9.034  -0.352  -7.663
  650   1HG1  VAL  84          1HG1      VAL  84   7.105  -1.564  -6.285
  651   2HG1  VAL  84          2HG1      VAL  84   7.473   0.151  -6.165
  652   3HG1  VAL  84          3HG1      VAL  84   8.121  -0.977  -4.974
  653   1HG2  VAL  84          1HG2      VAL  84  11.136  -1.449  -6.438
  654   2HG2  VAL  84          2HG2      VAL  84  10.161  -1.026  -5.029
  655   3HG2  VAL  84          3HG2      VAL  84  10.643   0.225  -6.176
  656    H    ALA  85           H        ALA  85   7.618  -2.980  -5.515
  657    HA   ALA  85           HA       ALA  85   9.024  -5.405  -4.765
  658   1HB   ALA  85          1HB       ALA  85   8.907  -3.344  -2.615
  659   2HB   ALA  85          2HB       ALA  85  10.226  -3.313  -3.785
  660   3HB   ALA  85          3HB       ALA  85   9.970  -4.742  -2.782
  661    H    LYS  86           H        LYS  86   8.129  -6.392  -2.776
  662    HA   LYS  86           HA       LYS  86   5.438  -5.612  -2.039
  663   1HB   LYS  86          1HB       LYS  86   6.047  -8.240  -3.394
  664   2HB   LYS  86          2HB       LYS  86   4.564  -7.915  -2.505
  665   1HG   LYS  86          1HG       LYS  86   4.069  -6.079  -4.025
  666   2HG   LYS  86          2HG       LYS  86   5.532  -6.450  -4.935
  667   1HD   LYS  86          1HD       LYS  86   3.179  -8.298  -4.535
  668   2HD   LYS  86          2HD       LYS  86   3.554  -7.410  -6.012
  669   1HE   LYS  86          1HE       LYS  86   5.281  -9.522  -4.723
  670   2HE   LYS  86          2HE       LYS  86   4.283  -9.738  -6.159
  671   1HZ   LYS  86          1HZ       LYS  86   6.206  -9.246  -7.190
  672   2HZ   LYS  86          2HZ       LYS  86   6.850  -8.410  -5.868
  673   3HZ   LYS  86          3HZ       LYS  86   5.743  -7.645  -6.893
  674    H    VAL  87           H        VAL  87   5.089  -6.031   0.050
  675    HA   VAL  87           HA       VAL  87   6.524  -8.224   1.285
  676    HB   VAL  87           HB       VAL  87   6.678  -5.422   2.403
  677   1HG1  VAL  87          1HG1      VAL  87   6.745  -7.760   3.808
  678   2HG1  VAL  87          2HG1      VAL  87   7.515  -6.255   4.311
  679   3HG1  VAL  87          3HG1      VAL  87   8.455  -7.490   3.472
  680   1HG2  VAL  87          1HG2      VAL  87   9.200  -5.914   2.001
  681   2HG2  VAL  87          2HG2      VAL  87   8.192  -5.367   0.661
  682   3HG2  VAL  87          3HG2      VAL  87   8.597  -7.077   0.820
  683    H    VAL  88           H        VAL  88   4.543  -9.246   1.590
  684    HA   VAL  88           HA       VAL  88   2.257  -8.054   2.685
  685    HB   VAL  88           HB       VAL  88   2.003 -10.152   1.574
  686   1HG1  VAL  88          1HG1      VAL  88   3.820 -11.478   1.685
  687   2HG1  VAL  88          2HG1      VAL  88   3.003 -12.177   3.083
  688   3HG1  VAL  88          3HG1      VAL  88   4.242 -10.943   3.311
  689   1HG2  VAL  88          1HG2      VAL  88   0.960  -9.652   4.107
  690   2HG2  VAL  88          2HG2      VAL  88   1.468 -11.339   4.158
  691   3HG2  VAL  88          3HG2      VAL  88   0.344 -10.794   2.914
  692    H    GLY  89           H        GLY  89   2.863  -6.777   4.440
  693   1HA   GLY  89          1HA       GLY  89   2.401  -7.283   6.923
  694   2HA   GLY  89          2HA       GLY  89   3.896  -8.198   6.801
  695    H    ALA  90           H        ALA  90   2.485  -5.112   7.231
  696    HA   ALA  90           HA       ALA  90   4.829  -3.559   6.663
  697   1HB   ALA  90          1HB       ALA  90   3.592  -1.691   7.358
  698   2HB   ALA  90          2HB       ALA  90   2.529  -2.662   8.377
  699   3HB   ALA  90          3HB       ALA  90   2.402  -2.764   6.620
  700    H    ASN  91           H        ASN  91   6.012  -5.295   8.081
  701    HA   ASN  91           HA       ASN  91   5.913  -4.857  10.913
  702   1HB   ASN  91          1HB       ASN  91   6.574  -7.035   9.952
  703   2HB   ASN  91          2HB       ASN  91   7.994  -6.280   9.236
  704   1HD2  ASN  91          1HD2      ASN  91   9.784  -6.601  10.319
  705   2HD2  ASN  91          2HD2      ASN  91   9.922  -6.824  12.026
  706    HA   PRO  92           HA       PRO  92   8.276  -1.110  11.230
  707   1HB   PRO  92          1HB       PRO  92   9.491  -2.649  13.500
  708   2HB   PRO  92          2HB       PRO  92   8.946  -0.966  13.449
  709   1HG   PRO  92          1HG       PRO  92   7.415  -2.807  14.575
  710   2HG   PRO  92          2HG       PRO  92   6.697  -1.557  13.541
  711   1HD   PRO  92          1HD       PRO  92   7.176  -4.441  12.969
  712   2HD   PRO  92          2HD       PRO  92   5.873  -3.378  12.401
  713    H    ALA  93           H        ALA  93   9.736  -4.289  11.111
  714    HA   ALA  93           HA       ALA  93  12.357  -3.171  10.501
  715   1HB   ALA  93          1HB       ALA  93  11.432  -5.579  11.704
  716   2HB   ALA  93          2HB       ALA  93  13.080  -4.968  11.569
  717   3HB   ALA  93          3HB       ALA  93  12.410  -5.984  10.293
  718    H    ALA  94           H        ALA  94  10.066  -2.940   8.585
  719    HA   ALA  94           HA       ALA  94  11.538  -3.661   6.256
  720   1HB   ALA  94          1HB       ALA  94  10.669  -5.854   6.648
  721   2HB   ALA  94          2HB       ALA  94   9.809  -5.161   5.274
  722   3HB   ALA  94          3HB       ALA  94   9.037  -5.220   6.858
  723    H    ILE  95           H        ILE  95   8.199  -2.940   7.292
  724    HA   ILE  95           HA       ILE  95   7.311  -1.690   5.022
  725    HB   ILE  95           HB       ILE  95   5.838  -2.090   6.885
  726   1HG1  ILE  95          1HG1      ILE  95   4.603  -0.012   6.952
  727   2HG1  ILE  95          2HG1      ILE  95   6.030   0.899   6.470
  728   1HG2  ILE  95          1HG2      ILE  95   6.133  -1.371   9.003
  729   2HG2  ILE  95          2HG2      ILE  95   6.814   0.175   8.498
  730   3HG2  ILE  95          3HG2      ILE  95   7.817  -1.276   8.488
  731   1HD1  ILE  95          1HD1      ILE  95   5.201   0.760   4.413
  732   2HD1  ILE  95          2HD1      ILE  95   4.079  -0.525   4.858
  733   3HD1  ILE  95          3HD1      ILE  95   5.745  -0.916   4.434
  734    H    LYS  96           H        LYS  96   9.854  -0.643   7.071
  735    HA   LYS  96           HA       LYS  96   9.611   2.134   6.179
  736   1HB   LYS  96          1HB       LYS  96  11.381   2.666   7.720
  737   2HB   LYS  96          2HB       LYS  96  10.190   1.676   8.549
  738   1HG   LYS  96          1HG       LYS  96  11.629  -0.275   8.313
  739   2HG   LYS  96          2HG       LYS  96  12.820   0.705   7.452
  740   1HD   LYS  96          1HD       LYS  96  13.021   2.148   9.449
  741   2HD   LYS  96          2HD       LYS  96  11.911   1.074  10.304
  742   1HE   LYS  96          1HE       LYS  96  14.586   0.299   9.145
  743   2HE   LYS  96          2HE       LYS  96  14.245   0.582  10.851
  744   1HZ   LYS  96          1HZ       LYS  96  12.935  -1.511   9.201
  745   2HZ   LYS  96          2HZ       LYS  96  12.760  -1.281  10.867
  746   3HZ   LYS  96          3HZ       LYS  96  14.245  -1.785  10.236
  747    H    GLN  97           H        GLN  97  12.004  -0.488   6.077
  748    HA   GLN  97           HA       GLN  97  13.766   0.881   4.329
  749   1HB   GLN  97          1HB       GLN  97  13.509  -2.079   4.890
  750   2HB   GLN  97          2HB       GLN  97  14.866  -1.313   4.075
  751   1HG   GLN  97          1HG       GLN  97  15.362  -0.040   6.102
  752   2HG   GLN  97          2HG       GLN  97  14.009  -0.822   6.919
  753   1HE2  GLN  97          1HE2      GLN  97  14.610  -2.386   8.217
  754   2HE2  GLN  97          2HE2      GLN  97  15.957  -3.443   7.994
  755    H    ALA  98           H        ALA  98  11.026  -1.234   3.859
  756    HA   ALA  98           HA       ALA  98  11.438  -1.946   1.180
  757   1HB   ALA  98          1HB       ALA  98   9.694  -3.140   1.993
  758   2HB   ALA  98          2HB       ALA  98   8.759  -1.833   1.267
  759   3HB   ALA  98          3HB       ALA  98   9.110  -1.812   2.995
  760    H    ILE  99           H        ILE  99  10.182   0.963   2.639
  761    HA   ILE  99           HA       ILE  99   9.457   2.125   0.080
  762    HB   ILE  99           HB       ILE  99   9.214   3.117   2.923
  763   1HG1  ILE  99          1HG1      ILE  99   6.788   2.971   2.413
  764   2HG1  ILE  99          2HG1      ILE  99   7.183   2.318   0.829
  765   1HG2  ILE  99          1HG2      ILE  99   9.660   5.052   1.562
  766   2HG2  ILE  99          2HG2      ILE  99   7.943   5.027   1.962
  767   3HG2  ILE  99          3HG2      ILE  99   8.482   4.532   0.357
  768   1HD1  ILE  99          1HD1      ILE  99   6.615   0.836   3.012
  769   2HD1  ILE  99          2HD1      ILE  99   8.375   0.874   3.075
  770   3HD1  ILE  99          3HD1      ILE  99   7.559   0.270   1.635
  771    H    ALA 100           H        ALA 100  12.213   1.911   2.023
  772    HA   ALA 100           HA       ALA 100  13.296   4.494   1.242
  773   1HB   ALA 100          1HB       ALA 100  14.799   4.244   2.908
  774   2HB   ALA 100          2HB       ALA 100  15.046   2.530   2.574
  775   3HB   ALA 100          3HB       ALA 100  13.634   3.055   3.491
  776    H    ALA 101           H        ALA 101  14.472   1.129   1.041
  777    HA   ALA 101           HA       ALA 101  16.468   1.582  -0.838
  778   1HB   ALA 101          1HB       ALA 101  16.469  -0.799  -1.223
  779   2HB   ALA 101          2HB       ALA 101  14.853  -0.946  -0.530
  780   3HB   ALA 101          3HB       ALA 101  16.214  -0.486   0.494
  781    H    ASN 102           H        ASN 102  13.024   1.265  -1.255
  782    HA   ASN 102           HA       ASN 102  13.181   0.864  -4.102
  783   1HB   ASN 102          1HB       ASN 102  10.889   1.376  -2.202
  784   2HB   ASN 102          2HB       ASN 102  10.692   1.129  -3.937
  785   1HD2  ASN 102          1HD2      ASN 102  13.238  -0.775  -3.072
  786   2HD2  ASN 102          2HD2      ASN 102  12.397  -2.245  -2.752
  787    H    ALA 103           H        ALA 103  12.032   3.445  -1.929
  788    HA   ALA 103           HA       ALA 103  12.046   5.314  -4.186
  789   1HB   ALA 103          1HB       ALA 103  11.011   5.749  -1.389
  790   2HB   ALA 103          2HB       ALA 103  10.037   5.187  -2.747
  791   3HB   ALA 103          3HB       ALA 103  10.762   6.795  -2.786
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1  -0.442  12.692   2.417
    2   2H    MET   1          2H        MET   1  -0.338  11.167   1.635
    3   3H    MET   1          3H        MET   1   0.176  11.336   3.265
    4    HA   MET   1           HA       MET   1  -1.953  11.626   4.040
    5   1HB   MET   1          1HB       MET   1  -3.868  11.786   2.412
    6   2HB   MET   1          2HB       MET   1  -2.783  13.167   2.418
    7   1HG   MET   1          1HG       MET   1  -3.293  12.715   0.164
    8   2HG   MET   1          2HG       MET   1  -1.642  12.160   0.426
    9   1HE   MET   1          1HE       MET   1  -4.979   9.902   1.473
   10   2HE   MET   1          2HE       MET   1  -5.394   9.648  -0.223
   11   3HE   MET   1          3HE       MET   1  -5.286  11.286   0.423
   12    H    VAL   2           H        VAL   2  -3.790  10.028   4.010
   13    HA   VAL   2           HA       VAL   2  -3.008   7.485   2.754
   14    HB   VAL   2           HB       VAL   2  -3.940   7.781   5.613
   15   1HG1  VAL   2          1HG1      VAL   2  -2.870   5.268   5.306
   16   2HG1  VAL   2          2HG1      VAL   2  -3.749   5.513   3.798
   17   3HG1  VAL   2          3HG1      VAL   2  -4.587   5.664   5.343
   18   1HG2  VAL   2          1HG2      VAL   2  -1.246   7.534   4.376
   19   2HG2  VAL   2          2HG2      VAL   2  -1.549   6.717   5.910
   20   3HG2  VAL   2          3HG2      VAL   2  -1.764   8.463   5.782
   21    H    THR   3           H        THR   3  -4.628   6.553   1.680
   22    HA   THR   3           HA       THR   3  -7.371   6.862   2.585
   23    HB   THR   3           HB       THR   3  -6.400   7.857  -0.094
   24    HG1  THR   3           HG1      THR   3  -7.419   9.771   0.632
   25   1HG2  THR   3          1HG2      THR   3  -9.201   7.304   0.815
   26   2HG2  THR   3          2HG2      THR   3  -8.396   6.780  -0.664
   27   3HG2  THR   3          3HG2      THR   3  -8.822   8.476  -0.447
   28    H    GLN   4           H        GLN   4  -8.875   5.461   1.467
   29    HA   GLN   4           HA       GLN   4  -7.635   2.924   0.714
   30   1HB   GLN   4          1HB       GLN   4 -10.579   3.578   0.929
   31   2HB   GLN   4          2HB       GLN   4  -9.836   1.987   0.959
   32   1HG   GLN   4          1HG       GLN   4  -8.897   2.401   3.117
   33   2HG   GLN   4          2HG       GLN   4  -9.437   4.077   3.085
   34   1HE2  GLN   4          1HE2      GLN   4 -11.149   4.432   4.284
   35   2HE2  GLN   4          2HE2      GLN   4 -12.429   3.314   4.601
   36    H    PHE   5           H        PHE   5  -8.658   1.719  -1.155
   37    HA   PHE   5           HA       PHE   5  -9.304   3.590  -3.335
   38   1HB   PHE   5          1HB       PHE   5  -7.774   0.993  -3.415
   39   2HB   PHE   5          2HB       PHE   5  -8.453   1.739  -4.867
   40    HD1  PHE   5           HD1      PHE   5  -7.896   4.637  -3.818
   41    HD2  PHE   5           HD2      PHE   5  -5.516   1.127  -4.214
   42    HE1  PHE   5           HE1      PHE   5  -5.887   6.035  -4.093
   43    HE2  PHE   5           HE2      PHE   5  -3.511   2.520  -4.487
   44    HZ   PHE   5           HZ       PHE   5  -3.692   4.971  -4.429
   45    H    LYS   6           H        LYS   6 -11.296   3.486  -4.044
   46    HA   LYS   6           HA       LYS   6 -12.924   1.135  -3.431
   47   1HB   LYS   6          1HB       LYS   6 -13.452   3.769  -3.129
   48   2HB   LYS   6          2HB       LYS   6 -14.187   3.463  -4.697
   49   1HG   LYS   6          1HG       LYS   6 -15.802   3.165  -2.943
   50   2HG   LYS   6          2HG       LYS   6 -15.484   1.628  -3.730
   51   1HD   LYS   6          1HD       LYS   6 -15.613   1.397  -1.290
   52   2HD   LYS   6          2HD       LYS   6 -14.007   0.989  -1.897
   53   1HE   LYS   6          1HE       LYS   6 -13.208   3.217  -1.266
   54   2HE   LYS   6          2HE       LYS   6 -14.814   3.623  -0.665
   55   1HZ   LYS   6          1HZ       LYS   6 -12.851   1.724   0.451
   56   2HZ   LYS   6          2HZ       LYS   6 -14.495   1.575   0.818
   57   3HZ   LYS   6          3HZ       LYS   6 -13.664   2.992   1.224
   58    H    THR   7           H        THR   7 -11.930   3.171  -6.136
   59    HA   THR   7           HA       THR   7 -12.824   1.046  -7.972
   60    HB   THR   7           HB       THR   7 -13.233   2.803  -9.664
   61    HG1  THR   7           HG1      THR   7 -13.181   4.952  -9.051
   62   1HG2  THR   7          1HG2      THR   7 -15.026   4.083  -8.060
   63   2HG2  THR   7          2HG2      THR   7 -14.777   2.560  -7.206
   64   3HG2  THR   7          3HG2      THR   7 -15.303   2.551  -8.889
   65    H    ALA   8           H        ALA   8 -11.410   0.400  -9.538
   66    HA   ALA   8           HA       ALA   8  -8.679   0.724  -9.134
   67   1HB   ALA   8          1HB       ALA   8 -10.279  -0.270 -11.465
   68   2HB   ALA   8          2HB       ALA   8  -9.286  -1.181 -10.327
   69   3HB   ALA   8          3HB       ALA   8  -8.520  -0.164 -11.547
   70    H    SER   9           H        SER   9 -10.904   2.722 -10.864
   71    HA   SER   9           HA       SER   9  -9.101   4.037 -12.578
   72   1HB   SER   9          1HB       SER   9 -11.646   5.086 -11.314
   73   2HB   SER   9          2HB       SER   9 -10.805   5.820 -12.680
   74    HG   SER   9           HG       SER   9 -11.250   3.985 -13.897
   75    H    GLU  10           H        GLU  10  -9.421   4.105  -9.188
   76    HA   GLU  10           HA       GLU  10  -8.266   6.734  -8.897
   77   1HB   GLU  10          1HB       GLU  10  -9.048   4.690  -6.828
   78   2HB   GLU  10          2HB       GLU  10  -8.464   6.309  -6.470
   79   1HG   GLU  10          1HG       GLU  10 -10.987   5.635  -7.967
   80   2HG   GLU  10          2HG       GLU  10 -10.887   6.163  -6.288
   81    H    PHE  11           H        PHE  11  -7.446   3.402  -8.189
   82    HA   PHE  11           HA       PHE  11  -4.814   4.009  -7.275
   83   1HB   PHE  11          1HB       PHE  11  -6.185   1.994  -6.590
   84   2HB   PHE  11          2HB       PHE  11  -5.854   1.322  -8.180
   85    HD1  PHE  11           HD1      PHE  11  -5.053  -0.492  -6.397
   86    HD2  PHE  11           HD2      PHE  11  -3.027   3.150  -7.263
   87    HE1  PHE  11           HE1      PHE  11  -2.955  -1.452  -5.540
   88    HE2  PHE  11           HE2      PHE  11  -0.931   2.193  -6.419
   89    HZ   PHE  11           HZ       PHE  11  -0.893  -0.110  -5.556
   90    H    ASP  12           H        ASP  12  -6.262   2.997 -10.308
   91    HA   ASP  12           HA       ASP  12  -4.042   2.198 -11.744
   92   1HB   ASP  12          1HB       ASP  12  -6.343   2.044 -12.598
   93   2HB   ASP  12          2HB       ASP  12  -6.405   3.796 -12.757
   94    H    SER  13           H        SER  13  -5.049   5.420 -10.849
   95    HA   SER  13           HA       SER  13  -3.038   6.663 -12.545
   96   1HB   SER  13          1HB       SER  13  -5.217   7.760 -12.345
   97   2HB   SER  13          2HB       SER  13  -5.011   7.881 -10.598
   98    HG   SER  13           HG       SER  13  -4.314   9.662 -12.314
   99    H    ALA  14           H        ALA  14  -3.487   5.707  -9.240
  100    HA   ALA  14           HA       ALA  14  -1.705   7.367  -7.914
  101   1HB   ALA  14          1HB       ALA  14  -1.648   4.569  -7.035
  102   2HB   ALA  14          2HB       ALA  14  -3.261   5.263  -7.194
  103   3HB   ALA  14          3HB       ALA  14  -2.069   6.033  -6.147
  104    H    ILE  15           H        ILE  15  -1.032   4.198  -9.405
  105    HA   ILE  15           HA       ILE  15   1.780   4.380  -8.922
  106    HB   ILE  15           HB       ILE  15   1.977   2.387 -10.337
  107   1HG1  ILE  15          1HG1      ILE  15  -0.997   2.771 -10.758
  108   2HG1  ILE  15          2HG1      ILE  15   0.255   2.841 -11.993
  109   1HG2  ILE  15          1HG2      ILE  15   1.016   2.534  -7.856
  110   2HG2  ILE  15          2HG2      ILE  15   1.227   1.003  -8.707
  111   3HG2  ILE  15          3HG2      ILE  15  -0.364   1.761  -8.637
  112   1HD1  ILE  15          1HD1      ILE  15   0.323   0.337 -10.560
  113   2HD1  ILE  15          2HD1      ILE  15   0.198   0.649 -12.291
  114   3HD1  ILE  15          3HD1      ILE  15  -1.254   0.640 -11.289
  115    H    ALA  16           H        ALA  16  -0.225   4.711 -11.839
  116    HA   ALA  16           HA       ALA  16   1.599   5.058 -13.792
  117   1HB   ALA  16          1HB       ALA  16  -0.505   7.117 -13.832
  118   2HB   ALA  16          2HB       ALA  16  -1.057   5.452 -13.639
  119   3HB   ALA  16          3HB       ALA  16  -0.077   5.900 -15.036
  120    H    GLN  17           H        GLN  17   3.535   5.984 -13.285
  121    HA   GLN  17           HA       GLN  17   5.076   7.588 -12.768
  122   1HB   GLN  17          1HB       GLN  17   3.084   9.262 -14.306
  123   2HB   GLN  17          2HB       GLN  17   4.758   9.704 -13.998
  124   1HG   GLN  17          1HG       GLN  17   5.513   7.773 -15.283
  125   2HG   GLN  17          2HG       GLN  17   3.832   7.319 -15.588
  126   1HE2  GLN  17          1HE2      GLN  17   6.432   8.736 -16.929
  127   2HE2  GLN  17          2HE2      GLN  17   5.660   9.777 -18.072
  128    H    ASP  18           H        ASP  18   4.944   7.740 -10.536
  129    HA   ASP  18           HA       ASP  18   4.243  10.253  -9.493
  130   1HB   ASP  18          1HB       ASP  18   1.945   9.388  -9.747
  131   2HB   ASP  18          2HB       ASP  18   2.359   8.015  -8.725
  132    H    LYS  19           H        LYS  19   6.497   8.574  -9.412
  133    HA   LYS  19           HA       LYS  19   8.112   7.907  -7.948
  134   1HB   LYS  19          1HB       LYS  19   6.246   9.177  -5.959
  135   2HB   LYS  19          2HB       LYS  19   7.888   8.683  -5.596
  136   1HG   LYS  19          1HG       LYS  19   7.939  11.013  -5.951
  137   2HG   LYS  19          2HG       LYS  19   8.657  10.264  -7.378
  138   1HD   LYS  19          1HD       LYS  19   6.629  10.587  -8.634
  139   2HD   LYS  19          2HD       LYS  19   5.783  11.168  -7.198
  140   1HE   LYS  19          1HE       LYS  19   7.301  13.086  -7.094
  141   2HE   LYS  19          2HE       LYS  19   8.142  12.499  -8.529
  142   1HZ   LYS  19          1HZ       LYS  19   5.267  12.833  -8.790
  143   2HZ   LYS  19          2HZ       LYS  19   6.504  13.202  -9.881
  144   3HZ   LYS  19          3HZ       LYS  19   6.157  14.261  -8.609
  145    H    LEU  20           H        LEU  20   7.722   6.954  -5.261
  146    HA   LEU  20           HA       LEU  20   6.591   4.346  -5.930
  147   1HB   LEU  20          1HB       LEU  20   8.865   4.339  -5.082
  148   2HB   LEU  20          2HB       LEU  20   8.360   5.241  -3.652
  149    HG   LEU  20           HG       LEU  20   6.950   3.304  -2.985
  150   1HD1  LEU  20          1HD1      LEU  20   8.280   1.328  -4.591
  151   2HD1  LEU  20          2HD1      LEU  20   7.405   2.470  -5.611
  152   3HD1  LEU  20          3HD1      LEU  20   6.555   1.597  -4.337
  153   1HD2  LEU  20          1HD2      LEU  20   9.054   1.751  -2.653
  154   2HD2  LEU  20          2HD2      LEU  20   8.903   3.287  -1.801
  155   3HD2  LEU  20          3HD2      LEU  20   9.909   3.173  -3.246
  156    H    VAL  21           H        VAL  21   4.585   3.958  -5.357
  157    HA   VAL  21           HA       VAL  21   3.432   5.361  -3.057
  158    HB   VAL  21           HB       VAL  21   2.024   3.783  -5.217
  159   1HG1  VAL  21          1HG1      VAL  21   0.871   3.938  -3.000
  160   2HG1  VAL  21          2HG1      VAL  21  -0.016   4.654  -4.345
  161   3HG1  VAL  21          3HG1      VAL  21   0.844   5.690  -3.205
  162   1HG2  VAL  21          1HG2      VAL  21   2.909   6.588  -5.045
  163   2HG2  VAL  21          2HG2      VAL  21   1.252   6.338  -5.598
  164   3HG2  VAL  21          3HG2      VAL  21   2.592   5.579  -6.457
  165    H    VAL  22           H        VAL  22   2.811   4.306  -1.257
  166    HA   VAL  22           HA       VAL  22   3.320   1.422  -1.151
  167    HB   VAL  22           HB       VAL  22   2.907   3.355   1.134
  168   1HG1  VAL  22          1HG1      VAL  22   3.904   1.512   2.482
  169   2HG1  VAL  22          2HG1      VAL  22   3.785   0.474   1.061
  170   3HG1  VAL  22          3HG1      VAL  22   2.324   1.127   1.800
  171   1HG2  VAL  22          1HG2      VAL  22   5.522   2.119   0.354
  172   2HG2  VAL  22          2HG2      VAL  22   5.219   3.521   1.380
  173   3HG2  VAL  22          3HG2      VAL  22   4.979   3.637  -0.364
  174    H    VAL  23           H        VAL  23   1.427   0.621  -2.034
  175    HA   VAL  23           HA       VAL  23  -1.089   1.332  -0.708
  176    HB   VAL  23           HB       VAL  23  -0.725  -0.357  -3.186
  177   1HG1  VAL  23          1HG1      VAL  23  -3.107   0.215  -3.548
  178   2HG1  VAL  23          2HG1      VAL  23  -3.129   0.994  -1.967
  179   3HG1  VAL  23          3HG1      VAL  23  -2.834  -0.740  -2.092
  180   1HG2  VAL  23          1HG2      VAL  23  -1.798   2.055  -3.975
  181   2HG2  VAL  23          2HG2      VAL  23  -0.132   1.537  -4.208
  182   3HG2  VAL  23          3HG2      VAL  23  -0.560   2.525  -2.812
  183    H    ASP  24           H        ASP  24  -1.915   0.042   0.780
  184    HA   ASP  24           HA       ASP  24  -0.836  -2.666   1.051
  185   1HB   ASP  24          1HB       ASP  24  -0.685  -1.206   3.019
  186   2HB   ASP  24          2HB       ASP  24  -2.441  -0.992   3.000
  187    H    PHE  25           H        PHE  25  -2.053  -4.453   0.771
  188    HA   PHE  25           HA       PHE  25  -4.825  -4.103  -0.064
  189   1HB   PHE  25          1HB       PHE  25  -2.782  -6.295  -0.420
  190   2HB   PHE  25          2HB       PHE  25  -4.481  -6.517  -0.830
  191    HD1  PHE  25           HD1      PHE  25  -1.978  -3.794  -1.425
  192    HD2  PHE  25           HD2      PHE  25  -4.835  -6.485  -3.053
  193    HE1  PHE  25           HE1      PHE  25  -1.523  -2.903  -3.672
  194    HE2  PHE  25           HE2      PHE  25  -4.413  -5.589  -5.292
  195    HZ   PHE  25           HZ       PHE  25  -2.756  -3.792  -5.614
  196    H    TYR  26           H        TYR  26  -4.746  -3.738   2.536
  197    HA   TYR  26           HA       TYR  26  -4.677  -5.895   4.263
  198   1HB   TYR  26          1HB       TYR  26  -6.344  -4.510   5.641
  199   2HB   TYR  26          2HB       TYR  26  -4.781  -3.792   5.278
  200    HD1  TYR  26           HD1      TYR  26  -8.051  -4.019   3.451
  201    HD2  TYR  26           HD2      TYR  26  -4.941  -1.519   4.928
  202    HE1  TYR  26           HE1      TYR  26  -9.177  -2.057   2.495
  203    HE2  TYR  26           HE2      TYR  26  -6.061   0.441   4.012
  204    HH   TYR  26           HH       TYR  26  -9.231   0.435   2.960
  205    H    ALA  27           H        ALA  27  -6.192  -7.301   5.109
  206    HA   ALA  27           HA       ALA  27  -8.057  -8.360   3.288
  207   1HB   ALA  27          1HB       ALA  27  -8.592  -9.942   4.956
  208   2HB   ALA  27          2HB       ALA  27  -8.085  -8.858   6.252
  209   3HB   ALA  27          3HB       ALA  27  -6.882  -9.570   5.177
  210    H    THR  28           H        THR  28 -10.297  -8.331   3.256
  211    HA   THR  28           HA       THR  28 -11.496  -5.890   4.157
  212    HB   THR  28           HB       THR  28 -12.189  -6.677   2.032
  213    HG1  THR  28           HG1      THR  28 -14.300  -7.341   3.799
  214   1HG2  THR  28          1HG2      THR  28 -13.671  -9.028   2.596
  215   2HG2  THR  28          2HG2      THR  28 -12.018  -9.262   3.164
  216   3HG2  THR  28          3HG2      THR  28 -12.318  -8.812   1.486
  217    H    TRP  29           H        TRP  29 -10.861  -8.677   5.786
  218    HA   TRP  29           HA       TRP  29 -13.205  -8.312   7.526
  219   1HB   TRP  29          1HB       TRP  29 -12.738 -10.823   8.101
  220   2HB   TRP  29          2HB       TRP  29 -13.649 -10.403   6.643
  221    HD1  TRP  29           HD1      TRP  29 -12.466 -10.834   4.292
  222    HE1  TRP  29           HE1      TRP  29 -10.422 -12.242   3.613
  223    HE3  TRP  29           HE3      TRP  29 -10.434 -11.573   8.916
  224    HZ2  TRP  29           HZ2      TRP  29  -8.226 -13.487   4.874
  225    HZ3  TRP  29           HZ3      TRP  29  -8.358 -12.869   9.101
  226    HH2  TRP  29           HH2      TRP  29  -7.276 -13.817   7.118
  227    H    CYS  30           H        CYS  30  -9.739  -9.001   7.356
  228    HA   CYS  30           HA       CYS  30  -9.137  -9.612   9.958
  229   1HB   CYS  30          1HB       CYS  30  -7.476  -9.382   8.076
  230   2HB   CYS  30          2HB       CYS  30  -7.537  -7.636   8.316
  231    HG   CYS  30           HG       CYS  30  -5.514  -8.548   9.646
  232    H    GLY  31           H        GLY  31  -8.329  -8.250  11.753
  233   1HA   GLY  31          1HA       GLY  31  -9.985  -5.831  11.987
  234   2HA   GLY  31          2HA       GLY  31  -9.370  -6.776  13.330
  235    HA   PRO  32           HA       PRO  32  -5.743  -4.397  14.052
  236   1HB   PRO  32          1HB       PRO  32  -4.053  -6.400  12.612
  237   2HB   PRO  32          2HB       PRO  32  -3.812  -5.657  14.199
  238   1HG   PRO  32          1HG       PRO  32  -4.727  -8.143  14.007
  239   2HG   PRO  32          2HG       PRO  32  -5.376  -7.032  15.228
  240   1HD   PRO  32          1HD       PRO  32  -6.597  -7.975  12.679
  241   2HD   PRO  32          2HD       PRO  32  -7.374  -7.554  14.219
  242    H    CYS  33           H        CYS  33  -6.188  -5.553  10.776
  243    HA   CYS  33           HA       CYS  33  -4.286  -4.012   9.447
  244   1HB   CYS  33          1HB       CYS  33  -7.008  -4.956   8.539
  245   2HB   CYS  33          2HB       CYS  33  -5.826  -4.194   7.468
  246    HG   CYS  33           HG       CYS  33  -4.686  -6.639   8.847
  247    H    LYS  34           H        LYS  34  -7.739  -3.220   9.980
  248    HA   LYS  34           HA       LYS  34  -7.766  -0.726   8.809
  249   1HB   LYS  34          1HB       LYS  34  -9.789  -1.860   9.599
  250   2HB   LYS  34          2HB       LYS  34  -9.294  -1.607  11.267
  251   1HG   LYS  34          1HG       LYS  34  -9.482   0.800  10.976
  252   2HG   LYS  34          2HG       LYS  34  -9.938   0.569   9.288
  253   1HD   LYS  34          1HD       LYS  34 -11.904   0.966  10.674
  254   2HD   LYS  34          2HD       LYS  34 -11.932  -0.663   9.996
  255   1HE   LYS  34          1HE       LYS  34 -11.087  -1.553  12.114
  256   2HE   LYS  34          2HE       LYS  34 -11.063   0.076  12.789
  257   1HZ   LYS  34          1HZ       LYS  34 -13.582  -0.062  11.981
  258   2HZ   LYS  34          2HZ       LYS  34 -13.086  -0.548  13.523
  259   3HZ   LYS  34          3HZ       LYS  34 -13.314  -1.701  12.306
  260    H    MET  35           H        MET  35  -6.405  -1.639  11.879
  261    HA   MET  35           HA       MET  35  -6.193   1.035  12.901
  262   1HB   MET  35          1HB       MET  35  -6.249  -0.939  14.380
  263   2HB   MET  35          2HB       MET  35  -4.718  -1.482  13.705
  264   1HG   MET  35          1HG       MET  35  -4.454  -0.411  15.888
  265   2HG   MET  35          2HG       MET  35  -3.587   0.445  14.615
  266   1HE   MET  35          1HE       MET  35  -7.659   0.936  15.236
  267   2HE   MET  35          2HE       MET  35  -7.395   1.758  16.774
  268   3HE   MET  35          3HE       MET  35  -6.799   0.115  16.540
  269    H    ILE  36           H        ILE  36  -4.776  -0.335  10.323
  270    HA   ILE  36           HA       ILE  36  -2.074   0.625  10.696
  271    HB   ILE  36           HB       ILE  36  -3.462  -0.671   8.354
  272   1HG1  ILE  36          1HG1      ILE  36  -1.436  -1.704  10.346
  273   2HG1  ILE  36          2HG1      ILE  36  -3.138  -2.146  10.273
  274   1HG2  ILE  36          1HG2      ILE  36  -0.776  -0.962   7.929
  275   2HG2  ILE  36          2HG2      ILE  36  -0.903   0.691   8.531
  276   3HG2  ILE  36          3HG2      ILE  36  -1.835   0.191   7.120
  277   1HD1  ILE  36          1HD1      ILE  36  -1.831  -3.895   9.319
  278   2HD1  ILE  36          2HD1      ILE  36  -1.020  -2.762   8.237
  279   3HD1  ILE  36          3HD1      ILE  36  -2.738  -3.101   8.031
  280    H    ALA  37           H        ALA  37  -5.043   1.827   9.463
  281    HA   ALA  37           HA       ALA  37  -4.277   3.538   7.437
  282   1HB   ALA  37          1HB       ALA  37  -6.531   3.568   7.646
  283   2HB   ALA  37          2HB       ALA  37  -6.186   5.021   8.584
  284   3HB   ALA  37          3HB       ALA  37  -6.482   3.489   9.406
  285    HA   PRO  38           HA       PRO  38  -3.178   6.887  10.725
  286   1HB   PRO  38          1HB       PRO  38  -2.436   5.998  13.194
  287   2HB   PRO  38          2HB       PRO  38  -4.086   6.492  12.791
  288   1HG   PRO  38          1HG       PRO  38  -2.933   3.761  13.057
  289   2HG   PRO  38          2HG       PRO  38  -4.550   4.346  13.476
  290   1HD   PRO  38          1HD       PRO  38  -3.948   2.910  11.219
  291   2HD   PRO  38          2HD       PRO  38  -5.348   3.976  11.368
  292    H    MET  39           H        MET  39  -1.562   3.734  11.131
  293    HA   MET  39           HA       MET  39   1.027   4.765  11.480
  294   1HB   MET  39          1HB       MET  39  -0.125   2.135  10.640
  295   2HB   MET  39          2HB       MET  39   1.592   2.416  10.472
  296   1HG   MET  39          1HG       MET  39   1.208   1.307  12.539
  297   2HG   MET  39          2HG       MET  39   1.699   2.962  12.881
  298   1HE   MET  39          1HE       MET  39   0.717   1.271  14.966
  299   2HE   MET  39          2HE       MET  39  -0.839   1.719  15.663
  300   3HE   MET  39          3HE       MET  39   0.464   2.906  15.578
  301    H    ILE  40           H        ILE  40  -0.568   3.385   8.606
  302    HA   ILE  40           HA       ILE  40   1.321   3.794   6.684
  303    HB   ILE  40           HB       ILE  40  -1.672   4.194   6.479
  304   1HG1  ILE  40          1HG1      ILE  40   0.145   1.896   5.719
  305   2HG1  ILE  40          2HG1      ILE  40  -0.968   1.944   7.077
  306   1HG2  ILE  40          1HG2      ILE  40  -0.660   5.420   4.660
  307   2HG2  ILE  40          2HG2      ILE  40  -1.369   3.932   4.030
  308   3HG2  ILE  40          3HG2      ILE  40   0.376   4.048   4.262
  309   1HD1  ILE  40          1HD1      ILE  40  -2.801   1.593   5.767
  310   2HD1  ILE  40          2HD1      ILE  40  -1.584   0.761   4.798
  311   3HD1  ILE  40          3HD1      ILE  40  -2.081   2.396   4.373
  312    H    GLU  41           H        GLU  41  -0.578   6.189   8.335
  313    HA   GLU  41           HA       GLU  41   0.077   8.340   6.535
  314   1HB   GLU  41          1HB       GLU  41  -2.037   8.340   7.754
  315   2HB   GLU  41          2HB       GLU  41  -1.178   8.332   9.287
  316   1HG   GLU  41          1HG       GLU  41  -0.238  10.536   8.753
  317   2HG   GLU  41          2HG       GLU  41  -1.133  10.540   7.233
  318    H    LYS  42           H        LYS  42   1.133   7.220   9.721
  319    HA   LYS  42           HA       LYS  42   2.823   9.353  10.365
  320   1HB   LYS  42          1HB       LYS  42   3.042   6.434  11.115
  321   2HB   LYS  42          2HB       LYS  42   3.973   7.724  11.858
  322   1HG   LYS  42          1HG       LYS  42   1.922   8.751  12.665
  323   2HG   LYS  42          2HG       LYS  42   0.980   7.468  11.905
  324   1HD   LYS  42          1HD       LYS  42   2.112   5.810  13.311
  325   2HD   LYS  42          2HD       LYS  42   3.040   7.102  14.077
  326   1HE   LYS  42          1HE       LYS  42   0.969   8.110  14.879
  327   2HE   LYS  42          2HE       LYS  42   0.043   6.821  14.112
  328   1HZ   LYS  42          1HZ       LYS  42   1.593   6.782  16.569
  329   2HZ   LYS  42          2HZ       LYS  42   1.716   5.398  15.603
  330   3HZ   LYS  42          3HZ       LYS  42   0.201   5.915  16.152
  331    H    PHE  43           H        PHE  43   3.314   6.588   8.277
  332    HA   PHE  43           HA       PHE  43   6.144   6.920   8.058
  333   1HB   PHE  43          1HB       PHE  43   4.155   5.358   6.412
  334   2HB   PHE  43          2HB       PHE  43   5.882   5.368   6.076
  335    HD1  PHE  43           HD1      PHE  43   3.601   4.839   8.995
  336    HD2  PHE  43           HD2      PHE  43   7.109   3.631   6.905
  337    HE1  PHE  43           HE1      PHE  43   3.933   3.018  10.614
  338    HE2  PHE  43           HE2      PHE  43   7.443   1.805   8.520
  339    HZ   PHE  43           HZ       PHE  43   5.855   1.496  10.376
  340    H    SER  44           H        SER  44   3.463   8.504   6.678
  341    HA   SER  44           HA       SER  44   4.643   9.264   4.201
  342   1HB   SER  44          1HB       SER  44   2.212   9.305   4.531
  343   2HB   SER  44          2HB       SER  44   2.394  10.564   5.766
  344    HG   SER  44           HG       SER  44   2.132  10.890   3.167
  345    H    GLU  45           H        GLU  45   5.316  10.170   7.372
  346    HA   GLU  45           HA       GLU  45   6.098  12.892   6.747
  347   1HB   GLU  45          1HB       GLU  45   6.238  11.228   9.257
  348   2HB   GLU  45          2HB       GLU  45   6.955  12.829   9.148
  349   1HG   GLU  45          1HG       GLU  45   4.781  12.929  10.201
  350   2HG   GLU  45          2HG       GLU  45   4.766  13.786   8.661
  351    H    GLN  46           H        GLN  46   7.525   9.747   6.919
  352    HA   GLN  46           HA       GLN  46  10.236  10.798   7.007
  353   1HB   GLN  46          1HB       GLN  46   9.206   7.964   6.833
  354   2HB   GLN  46          2HB       GLN  46  10.902   8.411   6.977
  355   1HG   GLN  46          1HG       GLN  46  10.444   9.463   9.128
  356   2HG   GLN  46          2HG       GLN  46   8.746   9.011   8.986
  357   1HE2  GLN  46          1HE2      GLN  46   8.230   7.320  10.154
  358   2HE2  GLN  46          2HE2      GLN  46   9.260   5.959  10.508
  359    H    TYR  47           H        TYR  47   8.012   9.326   4.713
  360    HA   TYR  47           HA       TYR  47  10.005   9.814   2.596
  361   1HB   TYR  47          1HB       TYR  47   7.915   7.631   2.670
  362   2HB   TYR  47          2HB       TYR  47   9.072   7.910   1.373
  363    HD1  TYR  47           HD1      TYR  47  11.598   7.851   2.086
  364    HD2  TYR  47           HD2      TYR  47   8.430   6.119   4.333
  365    HE1  TYR  47           HE1      TYR  47  13.214   6.387   3.222
  366    HE2  TYR  47           HE2      TYR  47  10.035   4.641   5.472
  367    HH   TYR  47           HH       TYR  47  13.058   5.088   5.758
  368    HA   PRO  48           HA       PRO  48   5.753  12.234   2.305
  369   1HB   PRO  48          1HB       PRO  48   7.917  14.209   1.718
  370   2HB   PRO  48          2HB       PRO  48   6.348  14.466   2.490
  371   1HG   PRO  48          1HG       PRO  48   8.611  14.276   3.923
  372   2HG   PRO  48          2HG       PRO  48   7.061  13.663   4.525
  373   1HD   PRO  48          1HD       PRO  48   9.441  12.176   3.630
  374   2HD   PRO  48          2HD       PRO  48   8.086  11.641   4.646
  375    H    GLN  49           H        GLN  49   8.699  11.971   0.433
  376    HA   GLN  49           HA       GLN  49   7.738  12.939  -2.018
  377   1HB   GLN  49          1HB       GLN  49   9.876  10.871  -1.471
  378   2HB   GLN  49          2HB       GLN  49   9.600  11.630  -3.034
  379   1HG   GLN  49          1HG       GLN  49  10.358  13.079  -0.506
  380   2HG   GLN  49          2HG       GLN  49  11.473  12.622  -1.790
  381   1HE2  GLN  49          1HE2      GLN  49   8.861  13.339  -3.517
  382   2HE2  GLN  49          2HE2      GLN  49   9.081  15.033  -3.750
  383    H    ALA  50           H        ALA  50   7.607   9.753  -0.548
  384    HA   ALA  50           HA       ALA  50   6.330   8.602  -2.892
  385   1HB   ALA  50          1HB       ALA  50   6.219   6.613  -1.114
  386   2HB   ALA  50          2HB       ALA  50   7.524   7.555  -0.393
  387   3HB   ALA  50          3HB       ALA  50   7.668   6.974  -2.052
  388    H    ASP  51           H        ASP  51   4.234   7.735  -2.900
  389    HA   ASP  51           HA       ASP  51   2.392   9.105  -1.111
  390   1HB   ASP  51          1HB       ASP  51   1.859   7.370  -3.534
  391   2HB   ASP  51          2HB       ASP  51   0.642   8.279  -2.644
  392    H    PHE  52           H        PHE  52   0.816   8.046   0.138
  393    HA   PHE  52           HA       PHE  52   1.320   5.183   0.601
  394   1HB   PHE  52          1HB       PHE  52   0.835   7.345   2.656
  395   2HB   PHE  52          2HB       PHE  52   0.772   5.614   3.016
  396    HD1  PHE  52           HD1      PHE  52   3.080   7.983   1.265
  397    HD2  PHE  52           HD2      PHE  52   2.638   4.747   3.992
  398    HE1  PHE  52           HE1      PHE  52   5.513   7.968   1.636
  399    HE2  PHE  52           HE2      PHE  52   5.068   4.728   4.372
  400    HZ   PHE  52           HZ       PHE  52   6.509   6.340   3.193
  401    H    TYR  53           H        TYR  53  -0.435   4.652  -0.746
  402    HA   TYR  53           HA       TYR  53  -3.088   5.496   0.167
  403   1HB   TYR  53          1HB       TYR  53  -2.091   4.241  -2.377
  404   2HB   TYR  53          2HB       TYR  53  -3.802   4.221  -1.963
  405    HD1  TYR  53           HD1      TYR  53  -4.825   6.566  -1.340
  406    HD2  TYR  53           HD2      TYR  53  -1.262   6.020  -3.603
  407    HE1  TYR  53           HE1      TYR  53  -5.084   8.818  -2.285
  408    HE2  TYR  53           HE2      TYR  53  -1.511   8.273  -4.552
  409    HH   TYR  53           HH       TYR  53  -4.217   9.963  -4.590
  410    H    LYS  54           H        LYS  54  -4.716   3.497  -0.414
  411    HA   LYS  54           HA       LYS  54  -3.646   1.031   0.700
  412   1HB   LYS  54          1HB       LYS  54  -5.961   2.506   1.959
  413   2HB   LYS  54          2HB       LYS  54  -5.368   0.921   2.438
  414   1HG   LYS  54          1HG       LYS  54  -3.223   1.895   3.047
  415   2HG   LYS  54          2HG       LYS  54  -3.801   3.487   2.564
  416   1HD   LYS  54          1HD       LYS  54  -5.014   1.806   4.757
  417   2HD   LYS  54          2HD       LYS  54  -3.864   3.114   5.013
  418   1HE   LYS  54          1HE       LYS  54  -5.985   4.050   5.403
  419   2HE   LYS  54          2HE       LYS  54  -5.500   4.614   3.806
  420   1HZ   LYS  54          1HZ       LYS  54  -7.251   3.647   2.895
  421   2HZ   LYS  54          2HZ       LYS  54  -7.840   3.358   4.454
  422   3HZ   LYS  54          3HZ       LYS  54  -6.943   2.168   3.655
  423    H    LEU  55           H        LEU  55  -4.567  -0.738  -0.129
  424    HA   LEU  55           HA       LEU  55  -6.637  -0.366  -2.132
  425   1HB   LEU  55          1HB       LEU  55  -4.518  -1.681  -2.524
  426   2HB   LEU  55          2HB       LEU  55  -5.146  -2.884  -1.420
  427    HG   LEU  55           HG       LEU  55  -5.450  -3.440  -3.830
  428   1HD1  LEU  55          1HD1      LEU  55  -7.245  -4.654  -3.307
  429   2HD1  LEU  55          2HD1      LEU  55  -8.219  -3.230  -2.934
  430   3HD1  LEU  55          3HD1      LEU  55  -7.124  -3.894  -1.721
  431   1HD2  LEU  55          1HD2      LEU  55  -6.597  -2.151  -5.275
  432   2HD2  LEU  55          2HD2      LEU  55  -6.148  -0.862  -4.158
  433   3HD2  LEU  55          3HD2      LEU  55  -7.742  -1.608  -4.048
  434    H    ASP  56           H        ASP  56  -8.655  -1.209  -2.075
  435    HA   ASP  56           HA       ASP  56  -9.572  -2.166   0.525
  436   1HB   ASP  56          1HB       ASP  56 -10.736  -0.262  -0.615
  437   2HB   ASP  56          2HB       ASP  56 -11.216  -1.379  -1.891
  438    H    VAL  57           H        VAL  57  -9.240  -4.333   0.697
  439    HA   VAL  57           HA       VAL  57  -9.535  -6.152  -1.469
  440    HB   VAL  57           HB       VAL  57  -9.416  -6.621   1.519
  441   1HG1  VAL  57          1HG1      VAL  57 -10.620  -8.475   0.550
  442   2HG1  VAL  57          2HG1      VAL  57  -8.980  -8.999   0.930
  443   3HG1  VAL  57          3HG1      VAL  57  -9.425  -8.632  -0.737
  444   1HG2  VAL  57          1HG2      VAL  57  -7.390  -5.715   0.418
  445   2HG2  VAL  57          2HG2      VAL  57  -7.377  -7.114  -0.654
  446   3HG2  VAL  57          3HG2      VAL  57  -7.146  -7.330   1.082
  447    H    ASP  58           H        ASP  58 -11.777  -4.517   0.446
  448    HA   ASP  58           HA       ASP  58 -13.857  -6.531   0.307
  449   1HB   ASP  58          1HB       ASP  58 -13.621  -4.957   2.252
  450   2HB   ASP  58          2HB       ASP  58 -14.054  -3.639   1.174
  451    H    GLU  59           H        GLU  59 -12.837  -3.633  -1.346
  452    HA   GLU  59           HA       GLU  59 -15.216  -3.700  -3.055
  453   1HB   GLU  59          1HB       GLU  59 -14.639  -1.556  -1.981
  454   2HB   GLU  59          2HB       GLU  59 -13.074  -1.576  -2.785
  455   1HG   GLU  59          1HG       GLU  59 -14.561  -0.106  -3.965
  456   2HG   GLU  59          2HG       GLU  59 -14.229  -1.518  -4.963
  457    H    LEU  60           H        LEU  60 -11.671  -3.388  -3.323
  458    HA   LEU  60           HA       LEU  60 -11.823  -4.172  -6.129
  459   1HB   LEU  60          1HB       LEU  60  -9.536  -3.196  -4.425
  460   2HB   LEU  60          2HB       LEU  60  -9.352  -3.705  -6.091
  461    HG   LEU  60           HG       LEU  60 -10.890  -1.910  -6.798
  462   1HD1  LEU  60          1HD1      LEU  60 -11.144  -0.093  -4.917
  463   2HD1  LEU  60          2HD1      LEU  60 -11.062  -1.502  -3.860
  464   3HD1  LEU  60          3HD1      LEU  60 -12.317  -1.397  -5.094
  465   1HD2  LEU  60          1HD2      LEU  60  -8.273  -1.711  -6.233
  466   2HD2  LEU  60          2HD2      LEU  60  -8.907  -0.450  -5.176
  467   3HD2  LEU  60          3HD2      LEU  60  -9.225  -0.390  -6.909
  468    H    GLY  61           H        GLY  61 -12.623  -6.264  -4.703
  469   1HA   GLY  61          1HA       GLY  61 -10.681  -8.000  -3.677
  470   2HA   GLY  61          2HA       GLY  61 -12.230  -8.496  -4.342
  471    H    ASP  62           H        ASP  62 -11.334  -7.108  -6.935
  472    HA   ASP  62           HA       ASP  62 -10.306  -9.455  -8.171
  473   1HB   ASP  62          1HB       ASP  62 -10.678  -6.703  -9.266
  474   2HB   ASP  62          2HB       ASP  62 -10.311  -8.120 -10.230
  475    H    VAL  63           H        VAL  63  -8.910  -6.493  -6.984
  476    HA   VAL  63           HA       VAL  63  -6.408  -6.851  -8.361
  477    HB   VAL  63           HB       VAL  63  -6.841  -5.072  -5.964
  478   1HG1  VAL  63          1HG1      VAL  63  -4.578  -5.614  -7.328
  479   2HG1  VAL  63          2HG1      VAL  63  -4.895  -4.078  -6.522
  480   3HG1  VAL  63          3HG1      VAL  63  -5.186  -4.241  -8.254
  481   1HG2  VAL  63          1HG2      VAL  63  -7.388  -4.334  -8.836
  482   2HG2  VAL  63          2HG2      VAL  63  -7.589  -3.311  -7.414
  483   3HG2  VAL  63          3HG2      VAL  63  -8.638  -4.706  -7.650
  484    H    ALA  64           H        ALA  64  -7.531  -7.244  -4.992
  485    HA   ALA  64           HA       ALA  64  -5.118  -8.155  -3.873
  486   1HB   ALA  64          1HB       ALA  64  -7.583  -7.681  -2.886
  487   2HB   ALA  64          2HB       ALA  64  -6.343  -8.589  -2.020
  488   3HB   ALA  64          3HB       ALA  64  -7.598  -9.444  -2.918
  489    H    GLN  65           H        GLN  65  -7.391  -9.654  -6.008
  490    HA   GLN  65           HA       GLN  65  -6.324 -12.326  -5.583
  491   1HB   GLN  65          1HB       GLN  65  -8.733 -12.070  -5.914
  492   2HB   GLN  65          2HB       GLN  65  -8.454 -11.311  -7.475
  493   1HG   GLN  65          1HG       GLN  65  -7.468 -13.389  -8.306
  494   2HG   GLN  65          2HG       GLN  65  -7.761 -14.149  -6.741
  495   1HE2  GLN  65          1HE2      GLN  65  -9.469 -15.401  -6.720
  496   2HE2  GLN  65          2HE2      GLN  65 -10.916 -15.180  -7.639
  497    H    LYS  66           H        LYS  66  -6.320  -9.780  -8.051
  498    HA   LYS  66           HA       LYS  66  -5.071 -11.256 -10.083
  499   1HB   LYS  66          1HB       LYS  66  -4.763  -9.238 -11.224
  500   2HB   LYS  66          2HB       LYS  66  -6.186  -8.950 -10.240
  501   1HG   LYS  66          1HG       LYS  66  -5.037  -7.013  -9.914
  502   2HG   LYS  66          2HG       LYS  66  -4.469  -7.968  -8.553
  503   1HD   LYS  66          1HD       LYS  66  -2.612  -6.823  -9.625
  504   2HD   LYS  66          2HD       LYS  66  -2.450  -8.566  -9.814
  505   1HE   LYS  66          1HE       LYS  66  -3.333  -8.413 -12.083
  506   2HE   LYS  66          2HE       LYS  66  -3.549  -6.674 -11.889
  507   1HZ   LYS  66          1HZ       LYS  66  -1.291  -6.299 -11.959
  508   2HZ   LYS  66          2HZ       LYS  66  -1.452  -7.569 -13.066
  509   3HZ   LYS  66          3HZ       LYS  66  -0.890  -7.879 -11.501
  510    H    ASN  67           H        ASN  67  -3.735  -9.344  -7.432
  511    HA   ASN  67           HA       ASN  67  -1.019  -9.912  -8.215
  512   1HB   ASN  67          1HB       ASN  67  -2.237  -8.486  -5.842
  513   2HB   ASN  67          2HB       ASN  67  -0.503  -8.654  -6.118
  514   1HD2  ASN  67          1HD2      ASN  67  -3.002  -6.609  -6.414
  515   2HD2  ASN  67          2HD2      ASN  67  -2.436  -5.623  -7.736
  516    H    GLU  68           H        GLU  68  -3.362 -11.710  -6.821
  517    HA   GLU  68           HA       GLU  68  -3.415 -13.611  -5.593
  518   1HB   GLU  68          1HB       GLU  68  -0.423 -13.554  -6.018
  519   2HB   GLU  68          2HB       GLU  68  -1.348 -14.939  -5.450
  520   1HG   GLU  68          1HG       GLU  68  -1.669 -13.604  -8.127
  521   2HG   GLU  68          2HG       GLU  68  -0.791 -15.106  -7.825
  522    H    VAL  69           H        VAL  69  -3.400 -11.179  -4.151
  523    HA   VAL  69           HA       VAL  69  -1.791 -11.884  -1.783
  524    HB   VAL  69           HB       VAL  69  -3.051  -9.218  -2.440
  525   1HG1  VAL  69          1HG1      VAL  69  -0.986  -9.853  -0.342
  526   2HG1  VAL  69          2HG1      VAL  69  -2.718  -9.809  -0.013
  527   3HG1  VAL  69          3HG1      VAL  69  -1.891  -8.355  -0.563
  528   1HG2  VAL  69          1HG2      VAL  69  -0.717  -8.478  -2.840
  529   2HG2  VAL  69          2HG2      VAL  69  -1.280  -9.672  -4.011
  530   3HG2  VAL  69          3HG2      VAL  69  -0.197 -10.159  -2.707
  531    H    SER  70           H        SER  70  -2.984 -13.090  -0.446
  532    HA   SER  70           HA       SER  70  -5.700 -12.151   0.195
  533   1HB   SER  70          1HB       SER  70  -6.349 -14.497   0.592
  534   2HB   SER  70          2HB       SER  70  -5.814 -14.245  -1.079
  535    HG   SER  70           HG       SER  70  -4.771 -16.048  -0.407
  536    H    ALA  71           H        ALA  71  -2.949 -11.742   1.425
  537    HA   ALA  71           HA       ALA  71  -2.969 -13.129   3.920
  538   1HB   ALA  71          1HB       ALA  71  -1.024 -11.983   4.418
  539   2HB   ALA  71          2HB       ALA  71  -1.502 -10.560   3.492
  540   3HB   ALA  71          3HB       ALA  71  -0.993 -12.026   2.656
  541    H    MET  72           H        MET  72  -2.318 -10.658   5.512
  542    HA   MET  72           HA       MET  72  -4.568  -8.964   5.575
  543   1HB   MET  72          1HB       MET  72  -5.625  -9.863   7.656
  544   2HB   MET  72          2HB       MET  72  -5.837 -10.882   6.238
  545   1HG   MET  72          1HG       MET  72  -4.186 -12.418   6.999
  546   2HG   MET  72          2HG       MET  72  -3.701 -11.341   8.304
  547   1HE   MET  72          1HE       MET  72  -3.678 -13.519   9.410
  548   2HE   MET  72          2HE       MET  72  -4.929 -14.704   9.032
  549   3HE   MET  72          3HE       MET  72  -4.953 -13.858  10.579
  550    HA   PRO  73           HA       PRO  73  -3.643  -7.381   5.035
  551   1HB   PRO  73          1HB       PRO  73  -2.339  -5.111   5.033
  552   2HB   PRO  73          2HB       PRO  73  -3.579  -5.367   6.277
  553   1HG   PRO  73          1HG       PRO  73  -0.602  -5.672   6.484
  554   2HG   PRO  73          2HG       PRO  73  -1.710  -4.839   7.582
  555   1HD   PRO  73          1HD       PRO  73  -0.809  -7.446   7.908
  556   2HD   PRO  73          2HD       PRO  73  -2.269  -6.766   8.663
  557    H    THR  74           H        THR  74  -1.830  -5.894   3.505
  558    HA   THR  74           HA       THR  74   0.621  -7.414   3.186
  559    HB   THR  74           HB       THR  74  -1.423  -7.242   0.962
  560    HG1  THR  74           HG1      THR  74  -2.095  -8.984   1.930
  561   1HG2  THR  74          1HG2      THR  74   0.105  -7.881  -0.517
  562   2HG2  THR  74          2HG2      THR  74   0.795  -9.071   0.589
  563   3HG2  THR  74          3HG2      THR  74   1.307  -7.389   0.674
  564    H    LEU  75           H        LEU  75   2.212  -6.282   2.020
  565    HA   LEU  75           HA       LEU  75   1.511  -3.486   1.416
  566   1HB   LEU  75          1HB       LEU  75   4.194  -4.621   2.195
  567   2HB   LEU  75          2HB       LEU  75   3.846  -2.934   1.879
  568    HG   LEU  75           HG       LEU  75   2.781  -4.582   4.173
  569   1HD1  LEU  75          1HD1      LEU  75   4.965  -2.597   3.844
  570   2HD1  LEU  75          2HD1      LEU  75   4.898  -4.057   4.832
  571   3HD1  LEU  75          3HD1      LEU  75   4.051  -2.600   5.352
  572   1HD2  LEU  75          1HD2      LEU  75   1.102  -2.990   3.386
  573   2HD2  LEU  75          2HD2      LEU  75   2.286  -1.688   3.481
  574   3HD2  LEU  75          3HD2      LEU  75   1.756  -2.507   4.950
  575    H    LEU  76           H        LEU  76   1.583  -2.903  -0.644
  576    HA   LEU  76           HA       LEU  76   3.368  -4.379  -2.467
  577   1HB   LEU  76          1HB       LEU  76   0.640  -3.213  -3.049
  578   2HB   LEU  76          2HB       LEU  76   1.719  -3.886  -4.272
  579    HG   LEU  76           HG       LEU  76   0.276  -5.337  -2.063
  580   1HD1  LEU  76          1HD1      LEU  76  -1.101  -6.045  -3.656
  581   2HD1  LEU  76          2HD1      LEU  76   0.233  -6.456  -4.735
  582   3HD1  LEU  76          3HD1      LEU  76  -0.391  -4.807  -4.691
  583   1HD2  LEU  76          1HD2      LEU  76   2.387  -6.341  -1.955
  584   2HD2  LEU  76          2HD2      LEU  76   2.632  -6.221  -3.698
  585   3HD2  LEU  76          3HD2      LEU  76   1.469  -7.377  -3.048
  586    H    LEU  77           H        LEU  77   4.837  -3.194  -3.525
  587    HA   LEU  77           HA       LEU  77   4.540  -0.266  -3.441
  588   1HB   LEU  77          1HB       LEU  77   7.041  -1.946  -3.643
  589   2HB   LEU  77          2HB       LEU  77   7.003  -0.194  -3.682
  590    HG   LEU  77           HG       LEU  77   6.076  -0.189  -1.383
  591   1HD1  LEU  77          1HD1      LEU  77   6.261  -3.138  -1.776
  592   2HD1  LEU  77          2HD1      LEU  77   4.988  -2.180  -1.021
  593   3HD1  LEU  77          3HD1      LEU  77   6.506  -2.458  -0.167
  594   1HD2  LEU  77          1HD2      LEU  77   8.206  -1.142  -0.308
  595   2HD2  LEU  77          2HD2      LEU  77   8.373   0.182  -1.462
  596   3HD2  LEU  77          3HD2      LEU  77   8.719  -1.473  -1.962
  597    H    PHE  78           H        PHE  78   4.924   0.958  -5.281
  598    HA   PHE  78           HA       PHE  78   5.471  -0.421  -7.809
  599   1HB   PHE  78          1HB       PHE  78   3.039   1.337  -7.387
  600   2HB   PHE  78          2HB       PHE  78   3.476   0.496  -8.865
  601    HD1  PHE  78           HD1      PHE  78   3.640  -2.104  -8.689
  602    HD2  PHE  78           HD2      PHE  78   1.567   0.365  -5.912
  603    HE1  PHE  78           HE1      PHE  78   2.316  -4.045  -7.956
  604    HE2  PHE  78           HE2      PHE  78   0.240  -1.571  -5.175
  605    HZ   PHE  78           HZ       PHE  78   0.609  -3.775  -6.196
  606    H    LYS  79           H        LYS  79   6.857   0.821  -9.055
  607    HA   LYS  79           HA       LYS  79   6.888   3.719  -8.449
  608   1HB   LYS  79          1HB       LYS  79   9.167   1.916  -9.238
  609   2HB   LYS  79          2HB       LYS  79   9.260   3.664  -9.352
  610   1HG   LYS  79          1HG       LYS  79   8.734   3.784  -6.920
  611   2HG   LYS  79          2HG       LYS  79   8.862   2.027  -6.860
  612   1HD   LYS  79          1HD       LYS  79  10.953   2.922  -6.140
  613   2HD   LYS  79          2HD       LYS  79  11.193   2.253  -7.753
  614   1HE   LYS  79          1HE       LYS  79  10.604   5.164  -7.284
  615   2HE   LYS  79          2HE       LYS  79  12.243   4.519  -7.269
  616   1HZ   LYS  79          1HZ       LYS  79  11.174   3.541  -9.575
  617   2HZ   LYS  79          2HZ       LYS  79  12.212   4.870  -9.450
  618   3HZ   LYS  79          3HZ       LYS  79  10.539   5.109  -9.492
  619    H    ASN  80           H        ASN  80   6.690   5.176 -10.058
  620    HA   ASN  80           HA       ASN  80   6.011   5.972 -12.085
  621   1HB   ASN  80          1HB       ASN  80   8.143   4.039 -13.017
  622   2HB   ASN  80          2HB       ASN  80   7.481   5.360 -13.973
  623   1HD2  ASN  80          1HD2      ASN  80   8.743   7.057 -14.042
  624   2HD2  ASN  80          2HD2      ASN  80   9.793   7.606 -12.784
  625    H    GLY  81           H        GLY  81   4.042   4.473 -11.437
  626   1HA   GLY  81          1HA       GLY  81   2.334   3.118 -12.130
  627   2HA   GLY  81          2HA       GLY  81   2.822   3.599 -13.750
  628    H    LYS  82           H        LYS  82   5.070   1.890 -11.763
  629    HA   LYS  82           HA       LYS  82   4.488  -0.606 -13.205
  630   1HB   LYS  82          1HB       LYS  82   7.215   0.591 -12.661
  631   2HB   LYS  82          2HB       LYS  82   6.940  -1.011 -13.325
  632   1HG   LYS  82          1HG       LYS  82   5.867  -0.038 -15.279
  633   2HG   LYS  82          2HG       LYS  82   6.121   1.576 -14.618
  634   1HD   LYS  82          1HD       LYS  82   8.287  -0.397 -15.335
  635   2HD   LYS  82          2HD       LYS  82   7.818   1.010 -16.291
  636   1HE   LYS  82          1HE       LYS  82   8.449   2.471 -14.419
  637   2HE   LYS  82          2HE       LYS  82   8.943   1.055 -13.492
  638   1HZ   LYS  82          1HZ       LYS  82  10.618   0.584 -15.162
  639   2HZ   LYS  82          2HZ       LYS  82  10.830   2.141 -14.540
  640   3HZ   LYS  82          3HZ       LYS  82  10.136   1.930 -16.066
  641    H    GLU  83           H        GLU  83   6.602  -2.032 -11.902
  642    HA   GLU  83           HA       GLU  83   5.469  -2.187  -9.196
  643   1HB   GLU  83          1HB       GLU  83   5.143  -4.162 -10.661
  644   2HB   GLU  83          2HB       GLU  83   6.880  -4.296 -10.855
  645   1HG   GLU  83          1HG       GLU  83   7.170  -4.933  -8.595
  646   2HG   GLU  83          2HG       GLU  83   5.503  -4.516  -8.192
  647    H    VAL  84           H        VAL  84   7.242  -3.337  -7.683
  648    HA   VAL  84           HA       VAL  84   9.959  -2.642  -8.179
  649    HB   VAL  84           HB       VAL  84  10.133  -1.132  -6.141
  650   1HG1  VAL  84          1HG1      VAL  84  10.183   0.675  -7.496
  651   2HG1  VAL  84          2HG1      VAL  84   8.611   0.331  -8.211
  652   3HG1  VAL  84          3HG1      VAL  84  10.036  -0.565  -8.737
  653   1HG2  VAL  84          1HG2      VAL  84   7.710   0.196  -6.281
  654   2HG2  VAL  84          2HG2      VAL  84   8.269  -0.845  -4.971
  655   3HG2  VAL  84          3HG2      VAL  84   7.268  -1.509  -6.260
  656    H    ALA  85           H        ALA  85   7.567  -3.309  -5.604
  657    HA   ALA  85           HA       ALA  85   8.912  -5.699  -4.861
  658   1HB   ALA  85          1HB       ALA  85   9.574  -4.964  -2.563
  659   2HB   ALA  85          2HB       ALA  85   9.315  -3.300  -3.088
  660   3HB   ALA  85          3HB       ALA  85  10.551  -4.290  -3.867
  661    H    LYS  86           H        LYS  86   7.863  -6.862  -3.194
  662    HA   LYS  86           HA       LYS  86   5.332  -5.754  -2.223
  663   1HB   LYS  86          1HB       LYS  86   4.176  -7.874  -2.774
  664   2HB   LYS  86          2HB       LYS  86   4.715  -7.003  -4.201
  665   1HG   LYS  86          1HG       LYS  86   6.651  -8.503  -4.371
  666   2HG   LYS  86          2HG       LYS  86   6.069  -9.391  -2.963
  667   1HD   LYS  86          1HD       LYS  86   4.598  -9.066  -5.576
  668   2HD   LYS  86          2HD       LYS  86   5.460 -10.515  -5.051
  669   1HE   LYS  86          1HE       LYS  86   3.944 -10.705  -3.132
  670   2HE   LYS  86          2HE       LYS  86   3.080  -9.269  -3.676
  671   1HZ   LYS  86          1HZ       LYS  86   3.377 -11.624  -5.432
  672   2HZ   LYS  86          2HZ       LYS  86   2.231 -10.383  -5.511
  673   3HZ   LYS  86          3HZ       LYS  86   2.134 -11.544  -4.286
  674    H    VAL  87           H        VAL  87   5.442  -5.868  -0.091
  675    HA   VAL  87           HA       VAL  87   6.657  -8.262   1.130
  676    HB   VAL  87           HB       VAL  87   6.671  -5.461   2.270
  677   1HG1  VAL  87          1HG1      VAL  87   6.826  -6.683   4.170
  678   2HG1  VAL  87          2HG1      VAL  87   8.518  -6.785   3.684
  679   3HG1  VAL  87          3HG1      VAL  87   7.417  -8.117   3.332
  680   1HG2  VAL  87          1HG2      VAL  87   8.286  -5.227   0.689
  681   2HG2  VAL  87          2HG2      VAL  87   8.605  -6.958   0.598
  682   3HG2  VAL  87          3HG2      VAL  87   9.258  -6.012   1.934
  683    H    VAL  88           H        VAL  88   4.534  -9.215   1.141
  684    HA   VAL  88           HA       VAL  88   2.227  -8.172   2.217
  685    HB   VAL  88           HB       VAL  88   2.256 -10.330   1.109
  686   1HG1  VAL  88          1HG1      VAL  88   3.794 -11.858   1.586
  687   2HG1  VAL  88          2HG1      VAL  88   3.084 -12.077   3.185
  688   3HG1  VAL  88          3HG1      VAL  88   4.361 -10.884   2.943
  689   1HG2  VAL  88          1HG2      VAL  88   0.345 -10.670   2.178
  690   2HG2  VAL  88          2HG2      VAL  88   0.927  -9.785   3.589
  691   3HG2  VAL  88          3HG2      VAL  88   1.232 -11.517   3.445
  692    H    GLY  89           H        GLY  89   2.501  -6.889   4.002
  693   1HA   GLY  89          1HA       GLY  89   1.993  -7.180   6.424
  694   2HA   GLY  89          2HA       GLY  89   3.370  -8.272   6.466
  695    H    ALA  90           H        ALA  90   2.542  -5.443   7.581
  696    HA   ALA  90           HA       ALA  90   4.926  -3.955   6.772
  697   1HB   ALA  90          1HB       ALA  90   3.819  -2.065   7.305
  698   2HB   ALA  90          2HB       ALA  90   3.114  -2.764   8.762
  699   3HB   ALA  90          3HB       ALA  90   2.395  -3.098   7.188
  700    H    ASN  91           H        ASN  91   5.280  -6.305   8.321
  701    HA   ASN  91           HA       ASN  91   5.609  -5.864  11.065
  702   1HB   ASN  91          1HB       ASN  91   5.710  -8.090   9.999
  703   2HB   ASN  91          2HB       ASN  91   7.219  -7.646   9.217
  704   1HD2  ASN  91          1HD2      ASN  91   7.061  -6.352  12.332
  705   2HD2  ASN  91          2HD2      ASN  91   7.981  -7.559  13.143
  706    HA   PRO  92           HA       PRO  92   8.557  -2.407  10.907
  707   1HB   PRO  92          1HB       PRO  92   9.060  -3.819  13.514
  708   2HB   PRO  92          2HB       PRO  92   9.060  -2.084  13.168
  709   1HG   PRO  92          1HG       PRO  92   6.918  -3.263  14.242
  710   2HG   PRO  92          2HG       PRO  92   6.755  -1.969  13.040
  711   1HD   PRO  92          1HD       PRO  92   6.176  -4.841  12.778
  712   2HD   PRO  92          2HD       PRO  92   5.608  -3.485  11.791
  713    H    ALA  93           H        ALA  93   9.842  -3.323   9.230
  714    HA   ALA  93           HA       ALA  93  12.472  -3.878   9.852
  715   1HB   ALA  93          1HB       ALA  93  12.447  -5.992  10.563
  716   2HB   ALA  93          2HB       ALA  93  12.098  -6.442   8.894
  717   3HB   ALA  93          3HB       ALA  93  10.779  -6.231  10.045
  718    H    ALA  94           H        ALA  94   9.806  -4.328   7.616
  719    HA   ALA  94           HA       ALA  94  11.693  -3.883   5.404
  720   1HB   ALA  94          1HB       ALA  94  10.866  -6.170   5.319
  721   2HB   ALA  94          2HB       ALA  94  10.256  -5.236   3.954
  722   3HB   ALA  94          3HB       ALA  94   9.203  -5.580   5.326
  723    H    ILE  95           H        ILE  95   8.343  -3.413   6.499
  724    HA   ILE  95           HA       ILE  95   7.394  -1.822   4.469
  725    HB   ILE  95           HB       ILE  95   5.949  -2.499   6.257
  726   1HG1  ILE  95          1HG1      ILE  95   4.800  -0.414   6.795
  727   2HG1  ILE  95          2HG1      ILE  95   6.232   0.511   6.353
  728   1HG2  ILE  95          1HG2      ILE  95   6.308  -1.034   8.468
  729   2HG2  ILE  95          2HG2      ILE  95   7.983  -1.186   7.937
  730   3HG2  ILE  95          3HG2      ILE  95   7.018  -2.631   8.237
  731   1HD1  ILE  95          1HD1      ILE  95   5.107   0.745   4.423
  732   2HD1  ILE  95          2HD1      ILE  95   4.170  -0.728   4.660
  733   3HD1  ILE  95          3HD1      ILE  95   5.827  -0.823   4.064
  734    H    LYS  96           H        LYS  96   9.945  -1.117   6.663
  735    HA   LYS  96           HA       LYS  96   9.763   1.763   6.246
  736   1HB   LYS  96          1HB       LYS  96  11.764   0.123   7.812
  737   2HB   LYS  96          2HB       LYS  96  11.700   1.879   7.769
  738   1HG   LYS  96          1HG       LYS  96   9.494   1.835   8.801
  739   2HG   LYS  96          2HG       LYS  96   9.535   0.071   8.825
  740   1HD   LYS  96          1HD       LYS  96  10.126   0.988  11.008
  741   2HD   LYS  96          2HD       LYS  96  11.495   0.138  10.289
  742   1HE   LYS  96          1HE       LYS  96  12.440   2.272   9.562
  743   2HE   LYS  96          2HE       LYS  96  11.067   3.124  10.267
  744   1HZ   LYS  96          1HZ       LYS  96  11.903   1.727  12.365
  745   2HZ   LYS  96          2HZ       LYS  96  12.455   3.286  12.011
  746   3HZ   LYS  96          3HZ       LYS  96  13.379   1.943  11.565
  747    H    GLN  97           H        GLN  97  12.426  -0.594   5.982
  748    HA   GLN  97           HA       GLN  97  14.008   0.999   4.311
  749   1HB   GLN  97          1HB       GLN  97  13.970  -1.993   4.718
  750   2HB   GLN  97          2HB       GLN  97  15.198  -1.155   3.779
  751   1HG   GLN  97          1HG       GLN  97  16.073  -1.569   5.954
  752   2HG   GLN  97          2HG       GLN  97  15.770   0.159   5.801
  753   1HE2  GLN  97          1HE2      GLN  97  14.961   1.028   7.551
  754   2HE2  GLN  97          2HE2      GLN  97  13.894   0.263   8.676
  755    H    ALA  98           H        ALA  98  11.479  -1.320   3.601
  756    HA   ALA  98           HA       ALA  98  11.945  -1.671   0.863
  757   1HB   ALA  98          1HB       ALA  98   9.274  -1.635   2.267
  758   2HB   ALA  98          2HB       ALA  98  10.359  -3.022   2.184
  759   3HB   ALA  98          3HB       ALA  98   9.634  -2.383   0.711
  760    H    ILE  99           H        ILE  99  10.460   0.929   2.645
  761    HA   ILE  99           HA       ILE  99   9.511   2.249   0.231
  762    HB   ILE  99           HB       ILE  99   9.382   3.109   3.128
  763   1HG1  ILE  99          1HG1      ILE  99   7.267   1.972   1.284
  764   2HG1  ILE  99          2HG1      ILE  99   8.036   1.116   2.616
  765   1HG2  ILE  99          1HG2      ILE  99   7.694   4.750   2.283
  766   2HG2  ILE  99          2HG2      ILE  99   8.194   4.337   0.644
  767   3HG2  ILE  99          3HG2      ILE  99   9.347   5.070   1.759
  768   1HD1  ILE  99          1HD1      ILE  99   5.747   2.000   3.082
  769   2HD1  ILE  99          2HD1      ILE  99   6.423   3.624   2.976
  770   3HD1  ILE  99          3HD1      ILE  99   6.993   2.513   4.221
  771    H    ALA 100           H        ALA 100  12.375   2.108   2.009
  772    HA   ALA 100           HA       ALA 100  13.180   4.847   1.453
  773   1HB   ALA 100          1HB       ALA 100  14.846   4.564   2.971
  774   2HB   ALA 100          2HB       ALA 100  15.117   2.878   2.526
  775   3HB   ALA 100          3HB       ALA 100  13.745   3.311   3.546
  776    H    ALA 101           H        ALA 101  14.815   1.723   0.941
  777    HA   ALA 101           HA       ALA 101  16.584   2.575  -1.006
  778   1HB   ALA 101          1HB       ALA 101  16.441   0.064  -1.731
  779   2HB   ALA 101          2HB       ALA 101  15.451  -0.084  -0.279
  780   3HB   ALA 101          3HB       ALA 101  17.108   0.506  -0.159
  781    H    ASN 102           H        ASN 102  13.208   1.746  -1.311
  782    HA   ASN 102           HA       ASN 102  13.298   1.561  -4.181
  783   1HB   ASN 102          1HB       ASN 102  11.049   1.563  -2.168
  784   2HB   ASN 102          2HB       ASN 102  10.803   1.423  -3.907
  785   1HD2  ASN 102          1HD2      ASN 102  13.660  -0.109  -3.296
  786   2HD2  ASN 102          2HD2      ASN 102  13.076  -1.715  -3.075
  787    H    ALA 103           H        ALA 103  11.970   3.827  -1.782
  788    HA   ALA 103           HA       ALA 103  10.907   5.681  -3.588
  789   1HB   ALA 103          1HB       ALA 103  10.292   5.768  -1.273
  790   2HB   ALA 103          2HB       ALA 103  11.066   7.295  -1.696
  791   3HB   ALA 103          3HB       ALA 103  11.960   6.074  -0.792
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  -0.292  12.714   5.550
    2   2H    MET   1          2H        MET   1   0.577  11.783   4.400
    3   3H    MET   1          3H        MET   1  -0.199  11.012   5.722
    4    HA   MET   1           HA       MET   1  -2.313  11.971   4.834
    5   1HB   MET   1          1HB       MET   1  -1.240  13.581   3.336
    6   2HB   MET   1          2HB       MET   1  -0.480  12.271   2.445
    7   1HG   MET   1          1HG       MET   1  -2.392  13.144   1.244
    8   2HG   MET   1          2HG       MET   1  -2.667  11.473   1.732
    9   1HE   MET   1          1HE       MET   1  -5.785  11.851   1.669
   10   2HE   MET   1          2HE       MET   1  -4.740  12.805   0.617
   11   3HE   MET   1          3HE       MET   1  -5.977  13.602   1.588
   12    H    VAL   2           H        VAL   2  -3.649  10.371   4.095
   13    HA   VAL   2           HA       VAL   2  -2.586   8.102   2.643
   14    HB   VAL   2           HB       VAL   2  -3.815   7.668   5.368
   15   1HG1  VAL   2          1HG1      VAL   2  -3.216   5.327   5.014
   16   2HG1  VAL   2          2HG1      VAL   2  -2.599   5.722   3.411
   17   3HG1  VAL   2          3HG1      VAL   2  -4.318   5.899   3.762
   18   1HG2  VAL   2          1HG2      VAL   2  -0.949   7.494   4.453
   19   2HG2  VAL   2          2HG2      VAL   2  -1.543   6.798   5.962
   20   3HG2  VAL   2          3HG2      VAL   2  -1.620   8.541   5.704
   21    H    THR   3           H        THR   3  -4.165   6.923   1.577
   22    HA   THR   3           HA       THR   3  -6.966   7.451   2.137
   23    HB   THR   3           HB       THR   3  -5.721   8.122  -0.536
   24    HG1  THR   3           HG1      THR   3  -5.868  10.135   0.064
   25   1HG2  THR   3          1HG2      THR   3  -8.051   7.112  -0.603
   26   2HG2  THR   3          2HG2      THR   3  -7.830   8.689  -1.363
   27   3HG2  THR   3          3HG2      THR   3  -8.582   8.574   0.229
   28    H    GLN   4           H        GLN   4  -8.374   5.913   1.295
   29    HA   GLN   4           HA       GLN   4  -7.114   3.386   0.567
   30   1HB   GLN   4          1HB       GLN   4 -10.044   3.962   1.021
   31   2HB   GLN   4          2HB       GLN   4  -9.253   2.391   1.033
   32   1HG   GLN   4          1HG       GLN   4  -8.051   2.977   3.050
   33   2HG   GLN   4          2HG       GLN   4  -8.758   4.591   3.026
   34   1HE2  GLN   4          1HE2      GLN   4  -8.946   1.721   4.504
   35   2HE2  GLN   4          2HE2      GLN   4 -10.609   1.712   4.966
   36    H    PHE   5           H        PHE   5  -8.787   2.074  -0.994
   37    HA   PHE   5           HA       PHE   5  -9.424   3.795  -3.279
   38   1HB   PHE   5          1HB       PHE   5  -7.802   1.250  -3.393
   39   2HB   PHE   5          2HB       PHE   5  -8.517   2.025  -4.812
   40    HD1  PHE   5           HD1      PHE   5  -8.015   4.888  -4.040
   41    HD2  PHE   5           HD2      PHE   5  -5.521   1.437  -3.892
   42    HE1  PHE   5           HE1      PHE   5  -6.029   6.319  -4.309
   43    HE2  PHE   5           HE2      PHE   5  -3.536   2.865  -4.160
   44    HZ   PHE   5           HZ       PHE   5  -3.788   5.303  -4.371
   45    H    LYS   6           H        LYS   6 -11.255   3.317  -4.332
   46    HA   LYS   6           HA       LYS   6 -12.723   0.919  -3.449
   47   1HB   LYS   6          1HB       LYS   6 -13.795   3.582  -4.406
   48   2HB   LYS   6          2HB       LYS   6 -14.786   2.182  -4.017
   49   1HG   LYS   6          1HG       LYS   6 -13.011   3.675  -2.098
   50   2HG   LYS   6          2HG       LYS   6 -14.769   3.789  -2.193
   51   1HD   LYS   6          1HD       LYS   6 -14.948   1.410  -1.634
   52   2HD   LYS   6          2HD       LYS   6 -13.189   1.301  -1.536
   53   1HE   LYS   6          1HE       LYS   6 -14.176   1.509   0.683
   54   2HE   LYS   6          2HE       LYS   6 -13.188   2.917   0.296
   55   1HZ   LYS   6          1HZ       LYS   6 -16.149   2.778   0.107
   56   2HZ   LYS   6          2HZ       LYS   6 -15.203   4.130  -0.263
   57   3HZ   LYS   6          3HZ       LYS   6 -15.273   3.557   1.327
   58    H    THR   7           H        THR   7 -11.752   2.884  -6.193
   59    HA   THR   7           HA       THR   7 -12.657   0.713  -7.968
   60    HB   THR   7           HB       THR   7 -12.515   3.630  -8.743
   61    HG1  THR   7           HG1      THR   7 -14.800   3.567  -8.549
   62   1HG2  THR   7          1HG2      THR   7 -14.354   2.536 -10.359
   63   2HG2  THR   7          2HG2      THR   7 -13.275   1.158 -10.141
   64   3HG2  THR   7          3HG2      THR   7 -12.647   2.680 -10.772
   65    H    ALA   8           H        ALA   8 -11.397   0.672 -10.057
   66    HA   ALA   8           HA       ALA   8  -8.599   0.697  -9.424
   67   1HB   ALA   8          1HB       ALA   8  -8.549   0.045 -11.996
   68   2HB   ALA   8          2HB       ALA   8 -10.256  -0.272 -11.687
   69   3HB   ALA   8          3HB       ALA   8  -9.021  -1.111 -10.749
   70    H    SER   9           H        SER   9 -10.787   2.720 -11.207
   71    HA   SER   9           HA       SER   9  -8.960   4.153 -12.766
   72   1HB   SER   9          1HB       SER   9 -11.385   4.326 -13.081
   73   2HB   SER   9          2HB       SER   9 -11.545   5.106 -11.507
   74    HG   SER   9           HG       SER   9 -10.356   6.848 -12.297
   75    H    GLU  10           H        GLU  10  -9.377   4.078  -9.379
   76    HA   GLU  10           HA       GLU  10  -8.243   6.698  -8.953
   77   1HB   GLU  10          1HB       GLU  10  -9.053   4.570  -6.978
   78   2HB   GLU  10          2HB       GLU  10  -8.518   6.192  -6.558
   79   1HG   GLU  10          1HG       GLU  10 -10.445   7.133  -7.724
   80   2HG   GLU  10          2HG       GLU  10 -10.981   5.508  -8.148
   81    H    PHE  11           H        PHE  11  -7.471   3.412  -7.962
   82    HA   PHE  11           HA       PHE  11  -4.846   3.998  -7.104
   83   1HB   PHE  11          1HB       PHE  11  -6.258   1.998  -6.443
   84   2HB   PHE  11          2HB       PHE  11  -5.867   1.302  -8.010
   85    HD1  PHE  11           HD1      PHE  11  -5.158  -0.491  -6.180
   86    HD2  PHE  11           HD2      PHE  11  -3.070   3.131  -6.991
   87    HE1  PHE  11           HE1      PHE  11  -3.110  -1.457  -5.219
   88    HE2  PHE  11           HE2      PHE  11  -1.021   2.165  -6.041
   89    HZ   PHE  11           HZ       PHE  11  -1.040  -0.129  -5.151
   90    H    ASP  12           H        ASP  12  -6.228   3.191 -10.196
   91    HA   ASP  12           HA       ASP  12  -3.957   2.292 -11.553
   92   1HB   ASP  12          1HB       ASP  12  -6.225   2.144 -12.488
   93   2HB   ASP  12          2HB       ASP  12  -6.284   3.897 -12.637
   94    H    SER  13           H        SER  13  -5.177   5.574 -11.028
   95    HA   SER  13           HA       SER  13  -3.047   6.788 -12.534
   96   1HB   SER  13          1HB       SER  13  -5.092   8.021 -10.671
   97   2HB   SER  13          2HB       SER  13  -4.004   8.920 -11.726
   98    HG   SER  13           HG       SER  13  -5.976   8.682 -12.756
   99    H    ALA  14           H        ALA  14  -3.667   5.978  -9.200
  100    HA   ALA  14           HA       ALA  14  -1.833   7.642  -7.918
  101   1HB   ALA  14          1HB       ALA  14  -3.597   5.844  -7.044
  102   2HB   ALA  14          2HB       ALA  14  -2.261   6.426  -6.050
  103   3HB   ALA  14          3HB       ALA  14  -2.127   4.881  -6.890
  104    H    ILE  15           H        ILE  15  -1.358   4.668  -9.701
  105    HA   ILE  15           HA       ILE  15   1.436   4.500  -8.907
  106    HB   ILE  15           HB       ILE  15   1.527   2.461 -10.247
  107   1HG1  ILE  15          1HG1      ILE  15  -1.370   3.085 -10.875
  108   2HG1  ILE  15          2HG1      ILE  15  -0.039   3.030 -12.024
  109   1HG2  ILE  15          1HG2      ILE  15   0.571   1.201  -8.633
  110   2HG2  ILE  15          2HG2      ILE  15  -0.967   2.061  -8.716
  111   3HG2  ILE  15          3HG2      ILE  15   0.393   2.767  -7.844
  112   1HD1  ILE  15          1HD1      ILE  15  -0.273   0.850 -12.305
  113   2HD1  ILE  15          2HD1      ILE  15  -1.765   0.968 -11.372
  114   3HD1  ILE  15          3HD1      ILE  15  -0.251   0.555 -10.566
  115    H    ALA  16           H        ALA  16  -0.423   4.932 -11.911
  116    HA   ALA  16           HA       ALA  16   1.525   5.119 -13.780
  117   1HB   ALA  16          1HB       ALA  16  -0.459   7.284 -13.968
  118   2HB   ALA  16          2HB       ALA  16  -1.110   5.657 -13.776
  119   3HB   ALA  16          3HB       ALA  16  -0.037   6.023 -15.125
  120    H    GLN  17           H        GLN  17   3.472   6.000 -13.396
  121    HA   GLN  17           HA       GLN  17   5.081   7.524 -12.821
  122   1HB   GLN  17          1HB       GLN  17   3.137   9.258 -14.348
  123   2HB   GLN  17          2HB       GLN  17   4.790   9.721 -13.964
  124   1HG   GLN  17          1HG       GLN  17   5.624   7.828 -15.261
  125   2HG   GLN  17          2HG       GLN  17   3.963   7.364 -15.648
  126   1HE2  GLN  17          1HE2      GLN  17   3.418   7.909 -17.618
  127   2HE2  GLN  17          2HE2      GLN  17   3.914   9.330 -18.469
  128    H    ASP  18           H        ASP  18   4.807   7.504 -10.548
  129    HA   ASP  18           HA       ASP  18   4.218  10.056  -9.458
  130   1HB   ASP  18          1HB       ASP  18   1.919   9.191  -9.685
  131   2HB   ASP  18          2HB       ASP  18   2.356   7.798  -8.700
  132    H    LYS  19           H        LYS  19   6.482   8.378  -9.448
  133    HA   LYS  19           HA       LYS  19   8.125   7.697  -8.021
  134   1HB   LYS  19          1HB       LYS  19   6.292   8.946  -5.989
  135   2HB   LYS  19          2HB       LYS  19   7.943   8.453  -5.660
  136   1HG   LYS  19          1HG       LYS  19   7.976  10.786  -5.997
  137   2HG   LYS  19          2HG       LYS  19   8.676  10.049  -7.438
  138   1HD   LYS  19          1HD       LYS  19   6.632  10.373  -8.664
  139   2HD   LYS  19          2HD       LYS  19   5.803  10.939  -7.212
  140   1HE   LYS  19          1HE       LYS  19   8.127  12.294  -8.578
  141   2HE   LYS  19          2HE       LYS  19   6.441  12.800  -8.662
  142   1HZ   LYS  19          1HZ       LYS  19   6.529  13.059  -6.201
  143   2HZ   LYS  19          2HZ       LYS  19   7.521  14.136  -7.047
  144   3HZ   LYS  19          3HZ       LYS  19   8.199  12.792  -6.273
  145    H    LEU  20           H        LEU  20   7.722   6.745  -5.317
  146    HA   LEU  20           HA       LEU  20   6.678   4.107  -5.991
  147   1HB   LEU  20          1HB       LEU  20   8.929   4.188  -5.092
  148   2HB   LEU  20          2HB       LEU  20   8.363   5.086  -3.682
  149    HG   LEU  20           HG       LEU  20   6.973   3.086  -3.074
  150   1HD1  LEU  20          1HD1      LEU  20   6.690   1.516  -4.610
  151   2HD1  LEU  20          2HD1      LEU  20   8.370   1.047  -4.349
  152   3HD1  LEU  20          3HD1      LEU  20   7.962   2.190  -5.627
  153   1HD2  LEU  20          1HD2      LEU  20   9.911   3.272  -3.036
  154   2HD2  LEU  20          2HD2      LEU  20   9.237   1.686  -2.661
  155   3HD2  LEU  20          3HD2      LEU  20   8.764   3.093  -1.708
  156    H    VAL  21           H        VAL  21   4.649   3.713  -5.491
  157    HA   VAL  21           HA       VAL  21   3.437   5.048  -3.176
  158    HB   VAL  21           HB       VAL  21   2.080   3.572  -5.438
  159   1HG1  VAL  21          1HG1      VAL  21   0.019   4.394  -4.583
  160   2HG1  VAL  21          2HG1      VAL  21   0.843   5.404  -3.394
  161   3HG1  VAL  21          3HG1      VAL  21   0.876   3.648  -3.234
  162   1HG2  VAL  21          1HG2      VAL  21   2.869   6.411  -5.069
  163   2HG2  VAL  21          2HG2      VAL  21   1.314   6.078  -5.831
  164   3HG2  VAL  21          3HG2      VAL  21   2.797   5.437  -6.538
  165    H    VAL  22           H        VAL  22   3.228   3.918  -1.367
  166    HA   VAL  22           HA       VAL  22   3.349   0.992  -1.492
  167    HB   VAL  22           HB       VAL  22   3.593   2.797   0.921
  168   1HG1  VAL  22          1HG1      VAL  22   4.435   0.814   2.061
  169   2HG1  VAL  22          2HG1      VAL  22   4.192  -0.143   0.600
  170   3HG1  VAL  22          3HG1      VAL  22   2.804   0.538   1.448
  171   1HG2  VAL  22          1HG2      VAL  22   5.413   2.582  -1.095
  172   2HG2  VAL  22          2HG2      VAL  22   5.953   1.317   0.008
  173   3HG2  VAL  22          3HG2      VAL  22   5.803   2.979   0.579
  174    H    VAL  23           H        VAL  23   1.306   0.322  -1.928
  175    HA   VAL  23           HA       VAL  23  -0.891   1.385  -0.312
  176    HB   VAL  23           HB       VAL  23  -1.028  -0.445  -2.712
  177   1HG1  VAL  23          1HG1      VAL  23  -3.420   0.405  -2.732
  178   2HG1  VAL  23          2HG1      VAL  23  -3.120   0.986  -1.093
  179   3HG1  VAL  23          3HG1      VAL  23  -3.002  -0.736  -1.453
  180   1HG2  VAL  23          1HG2      VAL  23  -2.035   1.846  -3.618
  181   2HG2  VAL  23          2HG2      VAL  23  -0.321   1.456  -3.733
  182   3HG2  VAL  23          3HG2      VAL  23  -0.901   2.502  -2.439
  183    H    ASP  24           H        ASP  24  -2.211   0.096   0.925
  184    HA   ASP  24           HA       ASP  24  -1.088  -2.529   1.617
  185   1HB   ASP  24          1HB       ASP  24  -1.172  -0.822   3.422
  186   2HB   ASP  24          2HB       ASP  24  -2.929  -0.752   3.241
  187    H    PHE  25           H        PHE  25  -2.238  -4.316   1.128
  188    HA   PHE  25           HA       PHE  25  -4.984  -4.000   0.190
  189   1HB   PHE  25          1HB       PHE  25  -2.857  -6.106  -0.156
  190   2HB   PHE  25          2HB       PHE  25  -4.542  -6.440  -0.551
  191    HD1  PHE  25           HD1      PHE  25  -2.156  -3.618  -1.214
  192    HD2  PHE  25           HD2      PHE  25  -4.984  -6.399  -2.744
  193    HE1  PHE  25           HE1      PHE  25  -1.778  -2.739  -3.485
  194    HE2  PHE  25           HE2      PHE  25  -4.636  -5.517  -5.006
  195    HZ   PHE  25           HZ       PHE  25  -3.036  -3.682  -5.383
  196    H    TYR  26           H        TYR  26  -4.891  -3.699   2.835
  197    HA   TYR  26           HA       TYR  26  -4.939  -5.906   4.490
  198   1HB   TYR  26          1HB       TYR  26  -6.554  -4.508   5.890
  199   2HB   TYR  26          2HB       TYR  26  -4.989  -3.795   5.529
  200    HD1  TYR  26           HD1      TYR  26  -8.308  -3.966   3.784
  201    HD2  TYR  26           HD2      TYR  26  -5.098  -1.512   5.123
  202    HE1  TYR  26           HE1      TYR  26  -9.418  -1.997   2.841
  203    HE2  TYR  26           HE2      TYR  26  -6.209   0.446   4.233
  204    HH   TYR  26           HH       TYR  26  -8.008   0.785   2.204
  205    H    ALA  27           H        ALA  27  -6.405  -7.434   5.076
  206    HA   ALA  27           HA       ALA  27  -8.355  -8.201   3.197
  207   1HB   ALA  27          1HB       ALA  27  -7.586  -9.111   5.920
  208   2HB   ALA  27          2HB       ALA  27  -7.635 -10.003   4.399
  209   3HB   ALA  27          3HB       ALA  27  -9.131  -9.650   5.263
  210    H    THR  28           H        THR  28 -10.617  -8.194   3.317
  211    HA   THR  28           HA       THR  28 -11.705  -5.827   4.470
  212    HB   THR  28           HB       THR  28 -12.579  -6.508   2.369
  213    HG1  THR  28           HG1      THR  28 -14.560  -7.141   4.294
  214   1HG2  THR  28          1HG2      THR  28 -13.112  -8.571   1.733
  215   2HG2  THR  28          2HG2      THR  28 -14.023  -8.890   3.208
  216   3HG2  THR  28          3HG2      THR  28 -12.274  -9.101   3.190
  217    H    TRP  29           H        TRP  29 -11.193  -8.933   5.704
  218    HA   TRP  29           HA       TRP  29 -13.325  -8.580   7.704
  219   1HB   TRP  29          1HB       TRP  29 -12.837 -11.087   8.151
  220   2HB   TRP  29          2HB       TRP  29 -13.760 -10.642   6.708
  221    HD1  TRP  29           HD1      TRP  29 -12.312 -10.633   4.348
  222    HE1  TRP  29           HE1      TRP  29 -10.379 -12.165   3.617
  223    HE3  TRP  29           HE3      TRP  29 -10.898 -12.397   8.932
  224    HZ2  TRP  29           HZ2      TRP  29  -8.501 -13.885   4.821
  225    HZ3  TRP  29           HZ3      TRP  29  -9.019 -13.978   9.056
  226    HH2  TRP  29           HH2      TRP  29  -7.846 -14.710   7.042
  227    H    CYS  30           H        CYS  30 -10.077 -10.040   7.494
  228    HA   CYS  30           HA       CYS  30  -8.879 -10.595   9.538
  229   1HB   CYS  30          1HB       CYS  30  -7.587  -9.404   7.868
  230   2HB   CYS  30          2HB       CYS  30  -8.175  -7.856   8.472
  231    HG   CYS  30           HG       CYS  30  -6.387  -9.639  10.284
  232    H    GLY  31           H        GLY  31  -9.232  -7.078   9.880
  233   1HA   GLY  31          1HA       GLY  31 -10.848  -6.408  11.745
  234   2HA   GLY  31          2HA       GLY  31  -9.913  -7.539  12.712
  235    HA   PRO  32           HA       PRO  32  -7.106  -4.334  13.818
  236   1HB   PRO  32          1HB       PRO  32  -4.683  -5.572  13.765
  237   2HB   PRO  32          2HB       PRO  32  -5.888  -5.856  15.027
  238   1HG   PRO  32          1HG       PRO  32  -5.269  -7.490  12.595
  239   2HG   PRO  32          2HG       PRO  32  -5.584  -8.029  14.255
  240   1HD   PRO  32          1HD       PRO  32  -7.469  -8.134  12.326
  241   2HD   PRO  32          2HD       PRO  32  -7.871  -7.816  14.026
  242    H    CYS  33           H        CYS  33  -6.754  -5.894  10.768
  243    HA   CYS  33           HA       CYS  33  -4.558  -4.649   9.641
  244   1HB   CYS  33          1HB       CYS  33  -5.604  -5.048   7.479
  245   2HB   CYS  33          2HB       CYS  33  -5.876  -6.431   8.549
  246    HG   CYS  33           HG       CYS  33  -8.157  -4.358   8.191
  247    H    LYS  34           H        LYS  34  -7.675  -3.316  10.424
  248    HA   LYS  34           HA       LYS  34  -7.450  -1.004   8.750
  249   1HB   LYS  34          1HB       LYS  34  -9.256  -1.581  11.103
  250   2HB   LYS  34          2HB       LYS  34  -9.397  -0.174  10.058
  251   1HG   LYS  34          1HG       LYS  34  -9.694  -3.045   9.202
  252   2HG   LYS  34          2HG       LYS  34 -11.006  -1.892   9.452
  253   1HD   LYS  34          1HD       LYS  34 -10.089  -0.476   7.670
  254   2HD   LYS  34          2HD       LYS  34  -8.792  -1.645   7.414
  255   1HE   LYS  34          1HE       LYS  34 -10.564  -1.931   5.766
  256   2HE   LYS  34          2HE       LYS  34 -10.441  -3.344   6.811
  257   1HZ   LYS  34          1HZ       LYS  34 -12.357  -2.677   8.003
  258   2HZ   LYS  34          2HZ       LYS  34 -12.749  -2.555   6.362
  259   3HZ   LYS  34          3HZ       LYS  34 -12.397  -1.161   7.252
  260    H    MET  35           H        MET  35  -6.123  -1.880  11.767
  261    HA   MET  35           HA       MET  35  -5.897   0.753  12.873
  262   1HB   MET  35          1HB       MET  35  -5.847  -1.290  14.262
  263   2HB   MET  35          2HB       MET  35  -4.333  -1.757  13.499
  264   1HG   MET  35          1HG       MET  35  -3.222   0.170  14.441
  265   2HG   MET  35          2HG       MET  35  -4.740   0.738  15.132
  266   1HE   MET  35          1HE       MET  35  -5.665  -1.133  17.883
  267   2HE   MET  35          2HE       MET  35  -5.676  -2.548  16.831
  268   3HE   MET  35          3HE       MET  35  -6.220  -0.988  16.215
  269    H    ILE  36           H        ILE  36  -4.599  -0.464  10.167
  270    HA   ILE  36           HA       ILE  36  -1.876   0.445  10.432
  271    HB   ILE  36           HB       ILE  36  -3.379  -0.412   7.960
  272   1HG1  ILE  36          1HG1      ILE  36  -1.591  -2.059   9.760
  273   2HG1  ILE  36          2HG1      ILE  36  -3.349  -2.146   9.751
  274   1HG2  ILE  36          1HG2      ILE  36  -0.794   0.683   8.351
  275   2HG2  ILE  36          2HG2      ILE  36  -1.539   0.109   6.858
  276   3HG2  ILE  36          3HG2      ILE  36  -0.613  -1.003   7.864
  277   1HD1  ILE  36          1HD1      ILE  36  -1.384  -3.227   7.849
  278   2HD1  ILE  36          2HD1      ILE  36  -2.863  -2.564   7.152
  279   3HD1  ILE  36          3HD1      ILE  36  -2.955  -3.855   8.348
  280    H    ALA  37           H        ALA  37  -4.907   1.716   9.306
  281    HA   ALA  37           HA       ALA  37  -4.239   3.631   7.484
  282   1HB   ALA  37          1HB       ALA  37  -6.276   4.562   7.882
  283   2HB   ALA  37          2HB       ALA  37  -6.098   4.482   9.634
  284   3HB   ALA  37          3HB       ALA  37  -6.505   3.028   8.722
  285    HA   PRO  38           HA       PRO  38  -2.945   6.710  10.944
  286   1HB   PRO  38          1HB       PRO  38  -2.171   5.663  13.336
  287   2HB   PRO  38          2HB       PRO  38  -3.823   6.201  13.001
  288   1HG   PRO  38          1HG       PRO  38  -2.700   3.447  13.081
  289   2HG   PRO  38          2HG       PRO  38  -4.304   4.025  13.564
  290   1HD   PRO  38          1HD       PRO  38  -3.746   2.723  11.207
  291   2HD   PRO  38          2HD       PRO  38  -5.142   3.770  11.455
  292    H    MET  39           H        MET  39  -1.438   3.503  11.075
  293    HA   MET  39           HA       MET  39   1.201   4.379  11.442
  294   1HB   MET  39          1HB       MET  39   0.033   1.888  10.216
  295   2HB   MET  39          2HB       MET  39   1.730   2.106  10.526
  296   1HG   MET  39          1HG       MET  39   1.266   2.335  12.881
  297   2HG   MET  39          2HG       MET  39  -0.449   2.121  12.577
  298   1HE   MET  39          1HE       MET  39   3.065   0.618  12.308
  299   2HE   MET  39          2HE       MET  39   2.487   0.028  10.751
  300   3HE   MET  39          3HE       MET  39   2.793  -1.107  12.066
  301    H    ILE  40           H        ILE  40  -0.556   3.322   8.531
  302    HA   ILE  40           HA       ILE  40   1.317   3.772   6.581
  303    HB   ILE  40           HB       ILE  40  -1.662   4.311   6.463
  304   1HG1  ILE  40          1HG1      ILE  40  -0.015   1.916   5.628
  305   2HG1  ILE  40          2HG1      ILE  40  -1.071   2.015   7.029
  306   1HG2  ILE  40          1HG2      ILE  40   0.285   3.981   4.176
  307   2HG2  ILE  40          2HG2      ILE  40  -0.499   5.486   4.651
  308   3HG2  ILE  40          3HG2      ILE  40  -1.465   4.146   4.035
  309   1HD1  ILE  40          1HD1      ILE  40  -3.013   2.109   5.675
  310   2HD1  ILE  40          2HD1      ILE  40  -2.008   0.803   5.047
  311   3HD1  ILE  40          3HD1      ILE  40  -2.055   2.356   4.214
  312    H    GLU  41           H        GLU  41  -0.451   6.106   8.446
  313    HA   GLU  41           HA       GLU  41   0.168   8.343   6.745
  314   1HB   GLU  41          1HB       GLU  41  -1.886   8.325   8.049
  315   2HB   GLU  41          2HB       GLU  41  -0.967   8.186   9.543
  316   1HG   GLU  41          1HG       GLU  41   0.006  10.397   9.143
  317   2HG   GLU  41          2HG       GLU  41  -0.926  10.533   7.652
  318    H    LYS  42           H        LYS  42   1.480   6.887   9.661
  319    HA   LYS  42           HA       LYS  42   3.182   9.021  10.394
  320   1HB   LYS  42          1HB       LYS  42   3.386   6.068  10.988
  321   2HB   LYS  42          2HB       LYS  42   4.372   7.308  11.749
  322   1HG   LYS  42          1HG       LYS  42   2.369   8.331  12.691
  323   2HG   LYS  42          2HG       LYS  42   1.373   7.096  11.919
  324   1HD   LYS  42          1HD       LYS  42   1.756   6.557  14.265
  325   2HD   LYS  42          2HD       LYS  42   2.523   5.364  13.215
  326   1HE   LYS  42          1HE       LYS  42   3.985   5.990  15.072
  327   2HE   LYS  42          2HE       LYS  42   4.677   6.460  13.522
  328   1HZ   LYS  42          1HZ       LYS  42   3.198   8.290  15.333
  329   2HZ   LYS  42          2HZ       LYS  42   3.986   8.715  13.899
  330   3HZ   LYS  42          3HZ       LYS  42   4.884   8.191  15.232
  331    H    PHE  43           H        PHE  43   3.450   6.587   7.951
  332    HA   PHE  43           HA       PHE  43   6.319   6.857   7.723
  333   1HB   PHE  43          1HB       PHE  43   4.295   5.349   6.066
  334   2HB   PHE  43          2HB       PHE  43   6.023   5.368   5.715
  335    HD1  PHE  43           HD1      PHE  43   3.805   4.803   8.666
  336    HD2  PHE  43           HD2      PHE  43   7.209   3.553   6.438
  337    HE1  PHE  43           HE1      PHE  43   4.133   2.930  10.227
  338    HE2  PHE  43           HE2      PHE  43   7.542   1.676   7.996
  339    HZ   PHE  43           HZ       PHE  43   6.003   1.363   9.893
  340    H    SER  44           H        SER  44   3.534   8.365   6.398
  341    HA   SER  44           HA       SER  44   4.665   9.280   3.979
  342   1HB   SER  44          1HB       SER  44   2.383  10.360   5.654
  343   2HB   SER  44          2HB       SER  44   2.760  10.861   4.003
  344    HG   SER  44           HG       SER  44   1.346   9.298   3.637
  345    H    GLU  45           H        GLU  45   5.283  10.095   7.199
  346    HA   GLU  45           HA       GLU  45   6.027  12.849   6.642
  347   1HB   GLU  45          1HB       GLU  45   4.983  12.318   8.795
  348   2HB   GLU  45          2HB       GLU  45   6.287  11.197   9.163
  349   1HG   GLU  45          1HG       GLU  45   7.880  13.045   9.168
  350   2HG   GLU  45          2HG       GLU  45   6.576  14.170   8.792
  351    H    GLN  46           H        GLN  46   7.459   9.716   6.802
  352    HA   GLN  46           HA       GLN  46  10.167  10.757   7.003
  353   1HB   GLN  46          1HB       GLN  46   9.170   7.922   6.688
  354   2HB   GLN  46          2HB       GLN  46  10.839   8.393   6.985
  355   1HG   GLN  46          1HG       GLN  46  10.197   9.347   9.128
  356   2HG   GLN  46          2HG       GLN  46   8.520   8.894   8.830
  357   1HE2  GLN  46          1HE2      GLN  46   7.916   7.149   9.867
  358   2HE2  GLN  46          2HE2      GLN  46   8.925   5.784  10.262
  359    H    TYR  47           H        TYR  47   8.044   9.229   4.618
  360    HA   TYR  47           HA       TYR  47  10.064   9.879   2.570
  361   1HB   TYR  47          1HB       TYR  47   8.137   7.552   2.510
  362   2HB   TYR  47          2HB       TYR  47   9.354   7.936   1.295
  363    HD1  TYR  47           HD1      TYR  47  11.827   8.025   2.169
  364    HD2  TYR  47           HD2      TYR  47   8.645   6.050   4.182
  365    HE1  TYR  47           HE1      TYR  47  13.461   6.643   3.381
  366    HE2  TYR  47           HE2      TYR  47  10.270   4.652   5.395
  367    HH   TYR  47           HH       TYR  47  13.588   5.342   5.466
  368    HA   PRO  48           HA       PRO  48   5.671  12.000   2.181
  369   1HB   PRO  48          1HB       PRO  48   7.729  14.101   1.636
  370   2HB   PRO  48          2HB       PRO  48   6.128  14.266   2.369
  371   1HG   PRO  48          1HG       PRO  48   8.366  14.210   3.856
  372   2HG   PRO  48          2HG       PRO  48   6.840  13.511   4.423
  373   1HD   PRO  48          1HD       PRO  48   9.322  12.158   3.598
  374   2HD   PRO  48          2HD       PRO  48   7.969  11.545   4.573
  375    H    GLN  49           H        GLN  49   8.651  11.808   0.381
  376    HA   GLN  49           HA       GLN  49   7.818  12.767  -2.100
  377   1HB   GLN  49          1HB       GLN  49   9.856  10.669  -1.363
  378   2HB   GLN  49          2HB       GLN  49   9.601  11.193  -3.020
  379   1HG   GLN  49          1HG       GLN  49  11.501  12.312  -2.013
  380   2HG   GLN  49          2HG       GLN  49  10.229  13.460  -2.421
  381   1HE2  GLN  49          1HE2      GLN  49  12.382  12.505  -0.097
  382   2HE2  GLN  49          2HE2      GLN  49  11.680  13.288   1.273
  383    H    ALA  50           H        ALA  50   7.470   9.598  -0.624
  384    HA   ALA  50           HA       ALA  50   6.208   8.497  -3.001
  385   1HB   ALA  50          1HB       ALA  50   5.941   6.534  -1.207
  386   2HB   ALA  50          2HB       ALA  50   7.277   7.415  -0.464
  387   3HB   ALA  50          3HB       ALA  50   7.429   6.808  -2.113
  388    H    ASP  51           H        ASP  51   4.085   7.616  -2.998
  389    HA   ASP  51           HA       ASP  51   2.257   9.084  -1.245
  390   1HB   ASP  51          1HB       ASP  51   1.713   7.537  -3.789
  391   2HB   ASP  51          2HB       ASP  51   0.516   8.455  -2.880
  392    H    PHE  52           H        PHE  52   1.293   8.107   0.406
  393    HA   PHE  52           HA       PHE  52   1.358   5.180   0.525
  394   1HB   PHE  52          1HB       PHE  52   0.958   7.248   2.694
  395   2HB   PHE  52          2HB       PHE  52   0.875   5.500   2.956
  396    HD1  PHE  52           HD1      PHE  52   3.189   7.943   1.325
  397    HD2  PHE  52           HD2      PHE  52   2.747   4.542   3.842
  398    HE1  PHE  52           HE1      PHE  52   5.627   7.877   1.656
  399    HE2  PHE  52           HE2      PHE  52   5.183   4.469   4.180
  400    HZ   PHE  52           HZ       PHE  52   6.625   6.140   3.088
  401    H    TYR  53           H        TYR  53  -0.403   4.348  -0.391
  402    HA   TYR  53           HA       TYR  53  -3.023   5.481   0.335
  403   1HB   TYR  53          1HB       TYR  53  -2.060   4.106  -2.158
  404   2HB   TYR  53          2HB       TYR  53  -3.774   4.180  -1.767
  405    HD1  TYR  53           HD1      TYR  53  -4.706   6.570  -1.256
  406    HD2  TYR  53           HD2      TYR  53  -1.111   5.819  -3.400
  407    HE1  TYR  53           HE1      TYR  53  -4.858   8.800  -2.278
  408    HE2  TYR  53           HE2      TYR  53  -1.249   8.049  -4.424
  409    HH   TYR  53           HH       TYR  53  -2.267  10.203  -4.017
  410    H    LYS  54           H        LYS  54  -4.765   3.616  -0.133
  411    HA   LYS  54           HA       LYS  54  -3.865   1.120   1.110
  412   1HB   LYS  54          1HB       LYS  54  -6.390   2.514   1.996
  413   2HB   LYS  54          2HB       LYS  54  -5.602   1.119   2.723
  414   1HG   LYS  54          1HG       LYS  54  -3.974   2.387   3.731
  415   2HG   LYS  54          2HG       LYS  54  -4.148   3.718   2.590
  416   1HD   LYS  54          1HD       LYS  54  -5.025   4.316   4.792
  417   2HD   LYS  54          2HD       LYS  54  -6.304   4.297   3.579
  418   1HE   LYS  54          1HE       LYS  54  -6.992   2.082   4.343
  419   2HE   LYS  54          2HE       LYS  54  -5.708   2.095   5.550
  420   1HZ   LYS  54          1HZ       LYS  54  -7.019   4.396   6.058
  421   2HZ   LYS  54          2HZ       LYS  54  -7.279   2.938   6.875
  422   3HZ   LYS  54          3HZ       LYS  54  -8.288   3.379   5.590
  423    H    LEU  55           H        LEU  55  -4.989  -0.696   0.448
  424    HA   LEU  55           HA       LEU  55  -6.886  -0.256  -1.756
  425   1HB   LEU  55          1HB       LEU  55  -4.711  -1.457  -2.214
  426   2HB   LEU  55          2HB       LEU  55  -5.285  -2.743  -1.172
  427    HG   LEU  55           HG       LEU  55  -5.575  -3.231  -3.581
  428   1HD1  LEU  55          1HD1      LEU  55  -8.362  -3.036  -2.689
  429   2HD1  LEU  55          2HD1      LEU  55  -7.263  -3.803  -1.542
  430   3HD1  LEU  55          3HD1      LEU  55  -7.418  -4.442  -3.178
  431   1HD2  LEU  55          1HD2      LEU  55  -6.197  -0.696  -3.956
  432   2HD2  LEU  55          2HD2      LEU  55  -7.834  -1.308  -3.717
  433   3HD2  LEU  55          3HD2      LEU  55  -6.824  -1.965  -5.007
  434    H    ASP  56           H        ASP  56  -8.882  -1.182  -1.742
  435    HA   ASP  56           HA       ASP  56  -9.748  -2.323   0.799
  436   1HB   ASP  56          1HB       ASP  56 -10.993  -0.433  -0.398
  437   2HB   ASP  56          2HB       ASP  56 -11.507  -1.653  -1.562
  438    H    VAL  57           H        VAL  57  -9.660  -4.459   1.024
  439    HA   VAL  57           HA       VAL  57  -9.531  -6.238  -1.209
  440    HB   VAL  57           HB       VAL  57  -9.700  -6.722   1.773
  441   1HG1  VAL  57          1HG1      VAL  57 -10.771  -8.633   0.811
  442   2HG1  VAL  57          2HG1      VAL  57  -9.115  -9.106   1.193
  443   3HG1  VAL  57          3HG1      VAL  57  -9.565  -8.741  -0.473
  444   1HG2  VAL  57          1HG2      VAL  57  -7.396  -7.354   1.558
  445   2HG2  VAL  57          2HG2      VAL  57  -7.609  -5.790   0.769
  446   3HG2  VAL  57          3HG2      VAL  57  -7.477  -7.257  -0.203
  447    H    ASP  58           H        ASP  58 -12.118  -4.690   0.201
  448    HA   ASP  58           HA       ASP  58 -14.001  -6.882  -0.273
  449   1HB   ASP  58          1HB       ASP  58 -14.223  -5.567   1.816
  450   2HB   ASP  58          2HB       ASP  58 -14.493  -4.119   0.862
  451    H    GLU  59           H        GLU  59 -13.389  -3.530  -1.229
  452    HA   GLU  59           HA       GLU  59 -15.411  -3.614  -3.286
  453   1HB   GLU  59          1HB       GLU  59 -14.932  -1.564  -1.964
  454   2HB   GLU  59          2HB       GLU  59 -13.338  -1.484  -2.707
  455   1HG   GLU  59          1HG       GLU  59 -14.774   0.043  -3.841
  456   2HG   GLU  59          2HG       GLU  59 -14.456  -1.315  -4.920
  457    H    LEU  60           H        LEU  60 -11.925  -3.892  -3.055
  458    HA   LEU  60           HA       LEU  60 -11.827  -4.343  -5.966
  459   1HB   LEU  60          1HB       LEU  60  -9.650  -3.257  -4.179
  460   2HB   LEU  60          2HB       LEU  60  -9.464  -3.626  -5.882
  461    HG   LEU  60           HG       LEU  60 -11.186  -1.899  -6.397
  462   1HD1  LEU  60          1HD1      LEU  60 -11.264  -1.795  -3.458
  463   2HD1  LEU  60          2HD1      LEU  60 -12.516  -1.433  -4.644
  464   3HD1  LEU  60          3HD1      LEU  60 -11.272  -0.237  -4.282
  465   1HD2  LEU  60          1HD2      LEU  60  -9.191  -0.396  -4.846
  466   2HD2  LEU  60          2HD2      LEU  60  -9.590  -0.323  -6.563
  467   3HD2  LEU  60          3HD2      LEU  60  -8.533  -1.598  -5.956
  468    H    GLY  61           H        GLY  61 -12.528  -6.525  -4.837
  469   1HA   GLY  61          1HA       GLY  61 -10.463  -8.069  -3.618
  470   2HA   GLY  61          2HA       GLY  61 -11.979  -8.685  -4.255
  471    H    ASP  62           H        ASP  62 -10.871  -7.084  -6.804
  472    HA   ASP  62           HA       ASP  62  -9.827  -9.464  -8.040
  473   1HB   ASP  62          1HB       ASP  62 -10.321  -6.741  -9.164
  474   2HB   ASP  62          2HB       ASP  62  -9.876  -8.147 -10.110
  475    H    VAL  63           H        VAL  63  -8.589  -6.448  -6.828
  476    HA   VAL  63           HA       VAL  63  -6.069  -6.657  -8.195
  477    HB   VAL  63           HB       VAL  63  -6.609  -4.946  -5.770
  478   1HG1  VAL  63          1HG1      VAL  63  -4.282  -5.339  -6.946
  479   2HG1  VAL  63          2HG1      VAL  63  -4.757  -3.744  -6.362
  480   3HG1  VAL  63          3HG1      VAL  63  -4.911  -4.139  -8.073
  481   1HG2  VAL  63          1HG2      VAL  63  -7.786  -3.415  -6.951
  482   2HG2  VAL  63          2HG2      VAL  63  -8.226  -4.822  -7.917
  483   3HG2  VAL  63          3HG2      VAL  63  -6.929  -3.755  -8.453
  484    H    ALA  64           H        ALA  64  -7.214  -7.252  -4.872
  485    HA   ALA  64           HA       ALA  64  -4.765  -7.989  -3.709
  486   1HB   ALA  64          1HB       ALA  64  -7.625  -8.475  -3.123
  487   2HB   ALA  64          2HB       ALA  64  -6.338  -7.865  -2.083
  488   3HB   ALA  64          3HB       ALA  64  -6.473  -9.594  -2.395
  489    H    GLN  65           H        GLN  65  -6.822  -9.606  -5.978
  490    HA   GLN  65           HA       GLN  65  -5.525 -12.181  -5.610
  491   1HB   GLN  65          1HB       GLN  65  -7.937 -12.137  -6.011
  492   2HB   GLN  65          2HB       GLN  65  -7.682 -11.302  -7.537
  493   1HG   GLN  65          1HG       GLN  65  -6.486 -13.245  -8.405
  494   2HG   GLN  65          2HG       GLN  65  -6.741 -14.083  -6.874
  495   1HE2  GLN  65          1HE2      GLN  65  -8.316 -15.499  -6.946
  496   2HE2  GLN  65          2HE2      GLN  65  -9.755 -15.387  -7.895
  497    H    LYS  66           H        LYS  66  -5.709  -9.584  -8.029
  498    HA   LYS  66           HA       LYS  66  -4.290 -10.852 -10.072
  499   1HB   LYS  66          1HB       LYS  66  -4.032  -8.747 -11.080
  500   2HB   LYS  66          2HB       LYS  66  -5.529  -8.615 -10.169
  501   1HG   LYS  66          1HG       LYS  66  -4.298  -7.461  -8.377
  502   2HG   LYS  66          2HG       LYS  66  -2.841  -7.529  -9.363
  503   1HD   LYS  66          1HD       LYS  66  -5.413  -6.180 -10.179
  504   2HD   LYS  66          2HD       LYS  66  -4.023  -5.349  -9.483
  505   1HE   LYS  66          1HE       LYS  66  -3.869  -5.051 -11.821
  506   2HE   LYS  66          2HE       LYS  66  -2.666  -6.267 -11.400
  507   1HZ   LYS  66          1HZ       LYS  66  -3.657  -7.755 -12.695
  508   2HZ   LYS  66          2HZ       LYS  66  -4.589  -6.492 -13.323
  509   3HZ   LYS  66          3HZ       LYS  66  -5.190  -7.435 -12.054
  510    H    ASN  67           H        ASN  67  -3.086  -8.789  -7.435
  511    HA   ASN  67           HA       ASN  67  -0.347  -9.202  -8.142
  512   1HB   ASN  67          1HB       ASN  67  -1.685  -7.981  -5.720
  513   2HB   ASN  67          2HB       ASN  67   0.056  -7.995  -5.997
  514   1HD2  ASN  67          1HD2      ASN  67  -2.601  -6.148  -6.220
  515   2HD2  ASN  67          2HD2      ASN  67  -2.115  -5.063  -7.494
  516    H    GLU  68           H        GLU  68  -2.601 -11.167  -6.732
  517    HA   GLU  68           HA       GLU  68  -2.495 -13.146  -5.636
  518   1HB   GLU  68          1HB       GLU  68   0.495 -12.841  -5.963
  519   2HB   GLU  68          2HB       GLU  68  -0.338 -14.313  -5.484
  520   1HG   GLU  68          1HG       GLU  68  -1.471 -14.385  -7.639
  521   2HG   GLU  68          2HG       GLU  68  -0.655 -12.898  -8.121
  522    H    VAL  69           H        VAL  69  -2.738 -10.793  -4.119
  523    HA   VAL  69           HA       VAL  69  -0.946 -11.011  -1.855
  524    HB   VAL  69           HB       VAL  69  -3.428  -9.318  -2.186
  525   1HG1  VAL  69          1HG1      VAL  69  -1.463  -9.655  -0.010
  526   2HG1  VAL  69          2HG1      VAL  69  -3.154  -9.150   0.049
  527   3HG1  VAL  69          3HG1      VAL  69  -1.908  -7.998  -0.419
  528   1HG2  VAL  69          1HG2      VAL  69  -1.682  -8.836  -3.859
  529   2HG2  VAL  69          2HG2      VAL  69  -0.533  -8.561  -2.550
  530   3HG2  VAL  69          3HG2      VAL  69  -1.930  -7.500  -2.735
  531    H    SER  70           H        SER  70  -4.493 -10.813  -1.796
  532    HA   SER  70           HA       SER  70  -6.024 -11.808  -0.432
  533   1HB   SER  70          1HB       SER  70  -6.042 -14.259  -0.526
  534   2HB   SER  70          2HB       SER  70  -5.680 -13.562  -2.115
  535    HG   SER  70           HG       SER  70  -3.625 -14.222  -1.956
  536    H    ALA  71           H        ALA  71  -3.513 -10.848   0.879
  537    HA   ALA  71           HA       ALA  71  -3.348 -12.683   3.159
  538   1HB   ALA  71          1HB       ALA  71  -1.424 -11.151   1.822
  539   2HB   ALA  71          2HB       ALA  71  -1.211 -12.098   3.295
  540   3HB   ALA  71          3HB       ALA  71  -1.633 -10.388   3.398
  541    H    MET  72           H        MET  72  -2.581 -10.684   5.095
  542    HA   MET  72           HA       MET  72  -4.524  -8.645   5.250
  543   1HB   MET  72          1HB       MET  72  -5.965  -9.555   6.998
  544   2HB   MET  72          2HB       MET  72  -6.081 -10.468   5.503
  545   1HG   MET  72          1HG       MET  72  -4.388 -11.302   7.833
  546   2HG   MET  72          2HG       MET  72  -6.049 -11.826   7.593
  547   1HE   MET  72          1HE       MET  72  -3.549 -14.818   6.904
  548   2HE   MET  72          2HE       MET  72  -5.251 -14.706   7.357
  549   3HE   MET  72          3HE       MET  72  -4.049 -13.718   8.191
  550    HA   PRO  73           HA       PRO  73  -3.599  -7.074   5.121
  551   1HB   PRO  73          1HB       PRO  73  -2.016  -5.008   5.463
  552   2HB   PRO  73          2HB       PRO  73  -3.346  -5.276   6.610
  553   1HG   PRO  73          1HG       PRO  73  -0.437  -5.932   6.894
  554   2HG   PRO  73          2HG       PRO  73  -1.527  -5.182   8.068
  555   1HD   PRO  73          1HD       PRO  73  -0.876  -7.881   7.995
  556   2HD   PRO  73          2HD       PRO  73  -2.305  -7.191   8.795
  557    H    THR  74           H        THR  74  -1.690  -5.629   3.745
  558    HA   THR  74           HA       THR  74   0.651  -7.247   3.260
  559    HB   THR  74           HB       THR  74  -1.488  -6.971   1.146
  560    HG1  THR  74           HG1      THR  74  -0.480  -9.450   1.738
  561   1HG2  THR  74          1HG2      THR  74   0.206  -8.639  -0.008
  562   2HG2  THR  74          2HG2      THR  74   1.371  -7.719   0.938
  563   3HG2  THR  74          3HG2      THR  74   0.325  -6.892  -0.216
  564    H    LEU  75           H        LEU  75   2.162  -6.226   1.803
  565    HA   LEU  75           HA       LEU  75   1.594  -3.365   1.383
  566   1HB   LEU  75          1HB       LEU  75   4.230  -4.658   2.077
  567   2HB   LEU  75          2HB       LEU  75   4.004  -2.958   1.718
  568    HG   LEU  75           HG       LEU  75   2.904  -4.454   4.096
  569   1HD1  LEU  75          1HD1      LEU  75   5.242  -2.757   3.593
  570   2HD1  LEU  75          2HD1      LEU  75   4.975  -3.999   4.814
  571   3HD1  LEU  75          3HD1      LEU  75   4.327  -2.375   5.051
  572   1HD2  LEU  75          1HD2      LEU  75   2.406  -1.886   4.654
  573   2HD2  LEU  75          2HD2      LEU  75   1.228  -2.944   3.877
  574   3HD2  LEU  75          3HD2      LEU  75   2.201  -1.842   2.903
  575    H    LEU  76           H        LEU  76   1.580  -2.768  -0.671
  576    HA   LEU  76           HA       LEU  76   3.196  -4.304  -2.595
  577   1HB   LEU  76          1HB       LEU  76   0.489  -3.020  -2.958
  578   2HB   LEU  76          2HB       LEU  76   1.471  -3.593  -4.304
  579    HG   LEU  76           HG       LEU  76   0.152  -5.214  -2.137
  580   1HD1  LEU  76          1HD1      LEU  76  -1.327  -5.760  -3.699
  581   2HD1  LEU  76          2HD1      LEU  76  -0.061  -6.131  -4.870
  582   3HD1  LEU  76          3HD1      LEU  76  -0.636  -4.475  -4.688
  583   1HD2  LEU  76          1HD2      LEU  76   2.149  -6.349  -2.184
  584   2HD2  LEU  76          2HD2      LEU  76   2.485  -5.907  -3.859
  585   3HD2  LEU  76          3HD2      LEU  76   1.284  -7.147  -3.498
  586    H    LEU  77           H        LEU  77   4.668  -3.213  -3.721
  587    HA   LEU  77           HA       LEU  77   4.613  -0.273  -3.583
  588   1HB   LEU  77          1HB       LEU  77   6.939  -2.161  -3.937
  589   2HB   LEU  77          2HB       LEU  77   7.063  -0.416  -4.000
  590    HG   LEU  77           HG       LEU  77   6.284  -0.304  -1.648
  591   1HD1  LEU  77          1HD1      LEU  77   6.593  -2.614  -0.450
  592   2HD1  LEU  77          2HD1      LEU  77   6.143  -3.253  -2.032
  593   3HD1  LEU  77          3HD1      LEU  77   5.046  -2.171  -1.173
  594   1HD2  LEU  77          1HD2      LEU  77   8.565  -0.129  -1.730
  595   2HD2  LEU  77          2HD2      LEU  77   8.771  -1.718  -2.468
  596   3HD2  LEU  77          3HD2      LEU  77   8.396  -1.585  -0.750
  597    H    PHE  78           H        PHE  78   4.738   0.937  -5.411
  598    HA   PHE  78           HA       PHE  78   5.077  -0.440  -7.987
  599   1HB   PHE  78          1HB       PHE  78   2.859   1.519  -7.346
  600   2HB   PHE  78          2HB       PHE  78   3.124   0.716  -8.892
  601    HD1  PHE  78           HD1      PHE  78   2.758  -1.728  -9.089
  602    HD2  PHE  78           HD2      PHE  78   1.761   0.424  -5.557
  603    HE1  PHE  78           HE1      PHE  78   1.363  -3.608  -8.339
  604    HE2  PHE  78           HE2      PHE  78   0.366  -1.457  -4.803
  605    HZ   PHE  78           HZ       PHE  78   0.172  -3.477  -6.197
  606    H    LYS  79           H        LYS  79   6.470   0.619  -9.305
  607    HA   LYS  79           HA       LYS  79   7.023   3.459  -8.703
  608   1HB   LYS  79          1HB       LYS  79   8.755   1.247  -9.747
  609   2HB   LYS  79          2HB       LYS  79   9.155   2.918 -10.115
  610   1HG   LYS  79          1HG       LYS  79   9.288   3.419  -7.729
  611   2HG   LYS  79          2HG       LYS  79   8.877   1.748  -7.350
  612   1HD   LYS  79          1HD       LYS  79  10.893   0.982  -8.491
  613   2HD   LYS  79          2HD       LYS  79  11.296   2.647  -8.911
  614   1HE   LYS  79          1HE       LYS  79  11.084   1.511  -6.126
  615   2HE   LYS  79          2HE       LYS  79  12.578   1.896  -6.978
  616   1HZ   LYS  79          1HZ       LYS  79  10.984   4.178  -7.029
  617   2HZ   LYS  79          2HZ       LYS  79  12.429   3.942  -6.184
  618   3HZ   LYS  79          3HZ       LYS  79  10.950   3.598  -5.441
  619    H    ASN  80           H        ASN  80   6.565   4.975 -10.186
  620    HA   ASN  80           HA       ASN  80   5.609   5.879 -12.057
  621   1HB   ASN  80          1HB       ASN  80   7.725   4.100 -13.278
  622   2HB   ASN  80          2HB       ASN  80   6.888   5.385 -14.143
  623   1HD2  ASN  80          1HD2      ASN  80   7.990   7.183 -14.279
  624   2HD2  ASN  80          2HD2      ASN  80   9.126   7.780 -13.122
  625    H    GLY  81           H        GLY  81   3.763   4.242 -11.325
  626   1HA   GLY  81          1HA       GLY  81   1.950   3.041 -12.031
  627   2HA   GLY  81          2HA       GLY  81   2.422   3.484 -13.664
  628    H    LYS  82           H        LYS  82   4.838   1.795 -11.969
  629    HA   LYS  82           HA       LYS  82   4.108  -0.684 -13.383
  630   1HB   LYS  82          1HB       LYS  82   6.862   0.244 -12.543
  631   2HB   LYS  82          2HB       LYS  82   6.489  -1.205 -13.463
  632   1HG   LYS  82          1HG       LYS  82   6.069   1.629 -14.377
  633   2HG   LYS  82          2HG       LYS  82   7.338   0.530 -14.915
  634   1HD   LYS  82          1HD       LYS  82   4.371   0.127 -15.291
  635   2HD   LYS  82          2HD       LYS  82   5.508   0.645 -16.536
  636   1HE   LYS  82          1HE       LYS  82   6.719  -1.468 -16.306
  637   2HE   LYS  82          2HE       LYS  82   5.584  -1.985 -15.060
  638   1HZ   LYS  82          1HZ       LYS  82   5.237  -1.846 -17.947
  639   2HZ   LYS  82          2HZ       LYS  82   3.894  -1.421 -17.012
  640   3HZ   LYS  82          3HZ       LYS  82   4.599  -2.947 -16.831
  641    H    GLU  83           H        GLU  83   6.103  -2.225 -12.006
  642    HA   GLU  83           HA       GLU  83   4.778  -2.471  -9.389
  643   1HB   GLU  83          1HB       GLU  83   4.749  -4.362 -11.188
  644   2HB   GLU  83          2HB       GLU  83   6.415  -4.628 -10.705
  645   1HG   GLU  83          1HG       GLU  83   4.935  -6.160  -9.565
  646   2HG   GLU  83          2HG       GLU  83   5.676  -5.062  -8.412
  647    H    VAL  84           H        VAL  84   6.375  -3.584  -7.743
  648    HA   VAL  84           HA       VAL  84   9.104  -2.657  -8.067
  649    HB   VAL  84           HB       VAL  84   7.455  -1.835  -5.757
  650   1HG1  VAL  84          1HG1      VAL  84   9.684  -0.333  -5.603
  651   2HG1  VAL  84          2HG1      VAL  84  10.336  -1.830  -6.268
  652   3HG1  VAL  84          3HG1      VAL  84   9.460  -1.853  -4.738
  653   1HG2  VAL  84          1HG2      VAL  84   8.611  -0.126  -7.929
  654   2HG2  VAL  84          2HG2      VAL  84   7.621   0.419  -6.577
  655   3HG2  VAL  84          3HG2      VAL  84   6.921  -0.609  -7.821
  656    H    ALA  85           H        ALA  85   6.972  -3.876  -5.498
  657    HA   ALA  85           HA       ALA  85   8.251  -6.409  -5.381
  658   1HB   ALA  85          1HB       ALA  85  10.100  -5.680  -4.297
  659   2HB   ALA  85          2HB       ALA  85   9.043  -5.826  -2.893
  660   3HB   ALA  85          3HB       ALA  85   9.293  -4.252  -3.649
  661    H    LYS  86           H        LYS  86   7.436  -7.758  -3.642
  662    HA   LYS  86           HA       LYS  86   4.914  -6.746  -2.505
  663   1HB   LYS  86          1HB       LYS  86   3.995  -9.025  -2.766
  664   2HB   LYS  86          2HB       LYS  86   4.419  -8.293  -4.308
  665   1HG   LYS  86          1HG       LYS  86   6.515  -9.582  -4.318
  666   2HG   LYS  86          2HG       LYS  86   6.027 -10.351  -2.806
  667   1HD   LYS  86          1HD       LYS  86   5.527 -11.797  -4.694
  668   2HD   LYS  86          2HD       LYS  86   4.037 -11.257  -3.919
  669   1HE   LYS  86          1HE       LYS  86   3.743  -9.558  -5.646
  670   2HE   LYS  86          2HE       LYS  86   5.251 -10.061  -6.409
  671   1HZ   LYS  86          1HZ       LYS  86   2.642 -11.186  -6.647
  672   2HZ   LYS  86          2HZ       LYS  86   3.776 -12.358  -6.197
  673   3HZ   LYS  86          3HZ       LYS  86   4.014 -11.446  -7.601
  674    H    VAL  87           H        VAL  87   5.057  -6.612  -0.373
  675    HA   VAL  87           HA       VAL  87   6.436  -8.762   1.083
  676    HB   VAL  87           HB       VAL  87   6.677  -5.823   1.749
  677   1HG1  VAL  87          1HG1      VAL  87   7.666  -8.322   3.080
  678   2HG1  VAL  87          2HG1      VAL  87   6.799  -6.957   3.784
  679   3HG1  VAL  87          3HG1      VAL  87   8.486  -6.776   3.305
  680   1HG2  VAL  87          1HG2      VAL  87   7.938  -6.581  -0.284
  681   2HG2  VAL  87          2HG2      VAL  87   8.838  -7.677   0.766
  682   3HG2  VAL  87          3HG2      VAL  87   8.941  -5.934   1.016
  683    H    VAL  88           H        VAL  88   4.272  -9.567   1.412
  684    HA   VAL  88           HA       VAL  88   2.191  -8.158   2.614
  685    HB   VAL  88           HB       VAL  88   1.706 -10.283   1.648
  686   1HG1  VAL  88          1HG1      VAL  88   2.670 -12.298   3.201
  687   2HG1  VAL  88          2HG1      VAL  88   4.008 -11.151   3.258
  688   3HG1  VAL  88          3HG1      VAL  88   3.418 -11.743   1.705
  689   1HG2  VAL  88          1HG2      VAL  88   0.252  -9.766   3.480
  690   2HG2  VAL  88          2HG2      VAL  88   1.410 -10.394   4.650
  691   3HG2  VAL  88          3HG2      VAL  88   0.607 -11.491   3.530
  692    H    GLY  89           H        GLY  89   2.794  -6.868   4.311
  693   1HA   GLY  89          1HA       GLY  89   2.524  -7.311   6.835
  694   2HA   GLY  89          2HA       GLY  89   4.040  -8.176   6.635
  695    H    ALA  90           H        ALA  90   2.681  -5.273   7.492
  696    HA   ALA  90           HA       ALA  90   5.016  -3.687   6.699
  697   1HB   ALA  90          1HB       ALA  90   2.476  -2.977   6.508
  698   2HB   ALA  90          2HB       ALA  90   3.735  -1.802   6.893
  699   3HB   ALA  90          3HB       ALA  90   2.738  -2.480   8.179
  700    H    ASN  91           H        ASN  91   5.256  -5.723   8.682
  701    HA   ASN  91           HA       ASN  91   5.193  -4.744  11.317
  702   1HB   ASN  91          1HB       ASN  91   5.420  -7.135  10.740
  703   2HB   ASN  91          2HB       ASN  91   7.019  -6.824  10.085
  704   1HD2  ASN  91          1HD2      ASN  91   6.468  -4.939  12.831
  705   2HD2  ASN  91          2HD2      ASN  91   7.269  -5.941  13.978
  706    HA   PRO  92           HA       PRO  92   8.139  -1.315  10.869
  707   1HB   PRO  92          1HB       PRO  92   8.342  -2.230  13.726
  708   2HB   PRO  92          2HB       PRO  92   8.387  -0.585  13.078
  709   1HG   PRO  92          1HG       PRO  92   6.129  -1.599  14.092
  710   2HG   PRO  92          2HG       PRO  92   6.110  -0.533  12.678
  711   1HD   PRO  92          1HD       PRO  92   5.536  -3.409  12.846
  712   2HD   PRO  92          2HD       PRO  92   5.122  -2.251  11.569
  713    H    ALA  93           H        ALA  93   9.576  -2.544   9.530
  714    HA   ALA  93           HA       ALA  93  12.130  -2.916  10.545
  715   1HB   ALA  93          1HB       ALA  93  11.811  -4.857  11.668
  716   2HB   ALA  93          2HB       ALA  93  12.041  -5.550  10.064
  717   3HB   ALA  93          3HB       ALA  93  10.413  -5.316  10.700
  718    H    ALA  94           H        ALA  94   9.752  -3.897   8.141
  719    HA   ALA  94           HA       ALA  94  11.860  -3.743   6.095
  720   1HB   ALA  94          1HB       ALA  94  11.264  -5.901   5.773
  721   2HB   ALA  94          2HB       ALA  94   9.981  -5.164   4.814
  722   3HB   ALA  94          3HB       ALA  94   9.659  -5.675   6.471
  723    H    ILE  95           H        ILE  95   8.436  -3.082   6.771
  724    HA   ILE  95           HA       ILE  95   7.757  -1.823   4.404
  725    HB   ILE  95           HB       ILE  95   6.085  -2.298   6.061
  726   1HG1  ILE  95          1HG1      ILE  95   4.843  -0.204   6.108
  727   2HG1  ILE  95          2HG1      ILE  95   6.313   0.707   5.775
  728   1HG2  ILE  95          1HG2      ILE  95   5.953  -0.949   8.156
  729   2HG2  ILE  95          2HG2      ILE  95   7.561  -0.326   7.788
  730   3HG2  ILE  95          3HG2      ILE  95   7.329  -2.049   8.080
  731   1HD1  ILE  95          1HD1      ILE  95   6.203  -1.052   3.677
  732   2HD1  ILE  95          2HD1      ILE  95   5.661   0.624   3.650
  733   3HD1  ILE  95          3HD1      ILE  95   4.506  -0.672   3.962
  734    H    LYS  96           H        LYS  96  10.055  -0.815   6.725
  735    HA   LYS  96           HA       LYS  96   9.862   1.998   5.980
  736   1HB   LYS  96          1HB       LYS  96  11.596   2.379   7.651
  737   2HB   LYS  96          2HB       LYS  96  10.275   1.440   8.335
  738   1HG   LYS  96          1HG       LYS  96  11.603  -0.605   8.056
  739   2HG   LYS  96          2HG       LYS  96  12.932   0.363   7.415
  740   1HD   LYS  96          1HD       LYS  96  13.019   1.610   9.537
  741   2HD   LYS  96          2HD       LYS  96  11.734   0.582  10.175
  742   1HE   LYS  96          1HE       LYS  96  13.169  -1.383   9.878
  743   2HE   LYS  96          2HE       LYS  96  14.452  -0.346   9.255
  744   1HZ   LYS  96          1HZ       LYS  96  14.418  -1.045  11.745
  745   2HZ   LYS  96          2HZ       LYS  96  13.316   0.228  11.902
  746   3HZ   LYS  96          3HZ       LYS  96  14.873   0.526  11.313
  747    H    GLN  97           H        GLN  97  12.236  -0.641   5.836
  748    HA   GLN  97           HA       GLN  97  14.102   0.843   4.279
  749   1HB   GLN  97          1HB       GLN  97  13.852  -2.144   4.688
  750   2HB   GLN  97          2HB       GLN  97  15.238  -1.328   3.977
  751   1HG   GLN  97          1HG       GLN  97  15.622  -0.149   6.085
  752   2HG   GLN  97          2HG       GLN  97  14.242  -0.985   6.796
  753   1HE2  GLN  97          1HE2      GLN  97  14.793  -2.613   8.035
  754   2HE2  GLN  97          2HE2      GLN  97  16.163  -3.644   7.827
  755    H    ALA  98           H        ALA  98  11.416  -1.279   3.588
  756    HA   ALA  98           HA       ALA  98  11.957  -1.826   0.888
  757   1HB   ALA  98          1HB       ALA  98   9.144  -1.471   1.800
  758   2HB   ALA  98          2HB       ALA  98  10.120  -2.746   2.528
  759   3HB   ALA  98          3HB       ALA  98   9.850  -2.728   0.785
  760    H    ILE  99           H        ILE  99  10.586   0.945   2.492
  761    HA   ILE  99           HA       ILE  99   9.800   2.209  -0.008
  762    HB   ILE  99           HB       ILE  99   9.686   3.272   2.818
  763   1HG1  ILE  99          1HG1      ILE  99   7.529   2.022   1.102
  764   2HG1  ILE  99          2HG1      ILE  99   8.283   1.277   2.507
  765   1HG2  ILE  99          1HG2      ILE  99   7.805   4.646   1.478
  766   2HG2  ILE  99          2HG2      ILE  99   8.971   4.392   0.182
  767   3HG2  ILE  99          3HG2      ILE  99   9.467   5.205   1.665
  768   1HD1  ILE  99          1HD1      ILE  99   5.957   2.676   2.534
  769   2HD1  ILE  99          2HD1      ILE  99   7.119   3.906   3.029
  770   3HD1  ILE  99          3HD1      ILE  99   6.988   2.399   3.936
  771    H    ALA 100           H        ALA 100  12.619   1.890   1.744
  772    HA   ALA 100           HA       ALA 100  13.632   4.565   1.218
  773   1HB   ALA 100          1HB       ALA 100  14.560   2.225   2.796
  774   2HB   ALA 100          2HB       ALA 100  14.463   3.928   3.246
  775   3HB   ALA 100          3HB       ALA 100  15.771   3.364   2.206
  776    H    ALA 101           H        ALA 101  14.892   1.285   0.606
  777    HA   ALA 101           HA       ALA 101  16.783   1.922  -1.286
  778   1HB   ALA 101          1HB       ALA 101  15.244  -0.506  -0.619
  779   2HB   ALA 101          2HB       ALA 101  16.985  -0.266  -0.757
  780   3HB   ALA 101          3HB       ALA 101  16.008  -0.482  -2.208
  781    H    ASN 102           H        ASN 102  13.316   1.710  -1.650
  782    HA   ASN 102           HA       ASN 102  13.470   1.899  -4.540
  783   1HB   ASN 102          1HB       ASN 102  11.219   1.638  -2.557
  784   2HB   ASN 102          2HB       ASN 102  10.929   1.961  -4.268
  785   1HD2  ASN 102          1HD2      ASN 102  11.003  -0.401  -2.051
  786   2HD2  ASN 102          2HD2      ASN 102  11.399  -1.755  -3.048
  787    H    ALA 103           H        ALA 103  11.627   3.713  -2.084
  788    HA   ALA 103           HA       ALA 103  11.396   6.016  -3.737
  789   1HB   ALA 103          1HB       ALA 103  10.027   5.128  -1.600
  790   2HB   ALA 103          2HB       ALA 103   9.979   6.799  -2.164
  791   3HB   ALA 103          3HB       ALA 103  11.040   6.349  -0.828
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  -0.560  13.558   3.252
    2   2H    MET   1          2H        MET   1  -0.512  12.260   2.130
    3   3H    MET   1          3H        MET   1   0.378  12.165   3.596
    4    HA   MET   1           HA       MET   1  -1.498  11.941   4.873
    5   1HB   MET   1          1HB       MET   1  -3.755  12.272   3.947
    6   2HB   MET   1          2HB       MET   1  -2.776  13.725   3.799
    7   1HG   MET   1          1HG       MET   1  -2.351  13.206   1.454
    8   2HG   MET   1          2HG       MET   1  -3.325  11.745   1.602
    9   1HE   MET   1          1HE       MET   1  -6.833  12.754   1.889
   10   2HE   MET   1          2HE       MET   1  -6.103  13.253   3.415
   11   3HE   MET   1          3HE       MET   1  -5.569  11.770   2.624
   12    H    VAL   2           H        VAL   2  -3.556  10.332   4.370
   13    HA   VAL   2           HA       VAL   2  -2.585   8.184   2.620
   14    HB   VAL   2           HB       VAL   2  -3.537   7.724   5.451
   15   1HG1  VAL   2          1HG1      VAL   2  -2.407   5.810   3.411
   16   2HG1  VAL   2          2HG1      VAL   2  -4.098   5.914   3.904
   17   3HG1  VAL   2          3HG1      VAL   2  -2.870   5.410   5.066
   18   1HG2  VAL   2          1HG2      VAL   2  -1.135   6.905   5.733
   19   2HG2  VAL   2          2HG2      VAL   2  -1.392   8.649   5.677
   20   3HG2  VAL   2          3HG2      VAL   2  -0.783   7.801   4.256
   21    H    THR   3           H        THR   3  -4.173   6.938   1.676
   22    HA   THR   3           HA       THR   3  -6.946   7.281   2.476
   23    HB   THR   3           HB       THR   3  -5.980   8.028  -0.293
   24    HG1  THR   3           HG1      THR   3  -7.117   9.589   1.782
   25   1HG2  THR   3          1HG2      THR   3  -8.744   7.814   0.845
   26   2HG2  THR   3          2HG2      THR   3  -8.100   7.095  -0.632
   27   3HG2  THR   3          3HG2      THR   3  -8.365   8.836  -0.541
   28    H    GLN   4           H        GLN   4  -8.403   5.848   1.176
   29    HA   GLN   4           HA       GLN   4  -6.987   3.357   0.507
   30   1HB   GLN   4          1HB       GLN   4  -9.907   3.718   1.204
   31   2HB   GLN   4          2HB       GLN   4  -9.067   2.195   0.984
   32   1HG   GLN   4          1HG       GLN   4  -9.273   2.456   3.294
   33   2HG   GLN   4          2HG       GLN   4  -7.602   2.858   2.925
   34   1HE2  GLN   4          1HE2      GLN   4 -10.011   5.203   2.110
   35   2HE2  GLN   4          2HE2      GLN   4  -9.689   6.286   3.411
   36    H    PHE   5           H        PHE   5  -8.644   1.980  -1.010
   37    HA   PHE   5           HA       PHE   5  -9.437   3.741  -3.223
   38   1HB   PHE   5          1HB       PHE   5  -7.831   1.190  -3.441
   39   2HB   PHE   5          2HB       PHE   5  -8.600   1.993  -4.817
   40    HD1  PHE   5           HD1      PHE   5  -8.014   4.850  -3.871
   41    HD2  PHE   5           HD2      PHE   5  -5.595   1.357  -4.188
   42    HE1  PHE   5           HE1      PHE   5  -6.027   6.263  -4.214
   43    HE2  PHE   5           HE2      PHE   5  -3.608   2.767  -4.530
   44    HZ   PHE   5           HZ       PHE   5  -3.822   5.218  -4.545
   45    H    LYS   6           H        LYS   6 -11.359   3.352  -4.077
   46    HA   LYS   6           HA       LYS   6 -12.743   0.869  -3.300
   47   1HB   LYS   6          1HB       LYS   6 -13.908   3.602  -3.873
   48   2HB   LYS   6          2HB       LYS   6 -14.850   2.158  -3.524
   49   1HG   LYS   6          1HG       LYS   6 -12.893   3.483  -1.658
   50   2HG   LYS   6          2HG       LYS   6 -14.653   3.582  -1.565
   51   1HD   LYS   6          1HD       LYS   6 -14.764   1.156  -1.226
   52   2HD   LYS   6          2HD       LYS   6 -13.005   1.066  -1.309
   53   1HE   LYS   6          1HE       LYS   6 -13.773   1.047   1.004
   54   2HE   LYS   6          2HE       LYS   6 -12.834   2.499   0.661
   55   1HZ   LYS   6          1HZ       LYS   6 -14.722   3.823   0.684
   56   2HZ   LYS   6          2HZ       LYS   6 -15.004   2.745   1.957
   57   3HZ   LYS   6          3HZ       LYS   6 -15.780   2.519   0.470
   58    H    THR   7           H        THR   7 -11.650   2.824  -5.898
   59    HA   THR   7           HA       THR   7 -12.807   0.932  -7.801
   60    HB   THR   7           HB       THR   7 -13.416   2.769  -9.338
   61    HG1  THR   7           HG1      THR   7 -13.454   4.886  -8.521
   62   1HG2  THR   7          1HG2      THR   7 -14.849   2.009  -7.073
   63   2HG2  THR   7          2HG2      THR   7 -15.469   2.792  -8.526
   64   3HG2  THR   7          3HG2      THR   7 -14.968   3.767  -7.144
   65    H    ALA   8           H        ALA   8 -11.445   0.398  -9.445
   66    HA   ALA   8           HA       ALA   8  -8.728   0.825  -9.223
   67   1HB   ALA   8          1HB       ALA   8  -8.478  -0.202 -11.346
   68   2HB   ALA   8          2HB       ALA   8 -10.098   0.285 -11.847
   69   3HB   ALA   8          3HB       ALA   8  -9.893  -0.942 -10.597
   70    H    SER   9           H        SER   9 -11.124   2.821 -10.736
   71    HA   SER   9           HA       SER   9  -9.490   4.390 -12.385
   72   1HB   SER   9          1HB       SER   9 -11.954   5.210 -10.826
   73   2HB   SER   9          2HB       SER   9 -11.254   6.102 -12.179
   74    HG   SER   9           HG       SER   9 -11.620   4.140 -13.434
   75    H    GLU  10           H        GLU  10  -9.715   4.169  -8.971
   76    HA   GLU  10           HA       GLU  10  -8.563   6.774  -8.523
   77   1HB   GLU  10          1HB       GLU  10 -10.333   5.920  -7.029
   78   2HB   GLU  10          2HB       GLU  10  -9.260   4.613  -6.545
   79   1HG   GLU  10          1HG       GLU  10  -9.300   6.373  -4.889
   80   2HG   GLU  10          2HG       GLU  10  -7.700   6.222  -5.613
   81    H    PHE  11           H        PHE  11  -7.668   3.410  -8.329
   82    HA   PHE  11           HA       PHE  11  -5.013   4.054  -7.381
   83   1HB   PHE  11          1HB       PHE  11  -6.335   2.051  -6.563
   84   2HB   PHE  11          2HB       PHE  11  -6.061   1.331  -8.143
   85    HD1  PHE  11           HD1      PHE  11  -5.165  -0.398  -6.308
   86    HD2  PHE  11           HD2      PHE  11  -3.223   3.219  -7.441
   87    HE1  PHE  11           HE1      PHE  11  -3.018  -1.297  -5.507
   88    HE2  PHE  11           HE2      PHE  11  -1.079   2.321  -6.645
   89    HZ   PHE  11           HZ       PHE  11  -0.975   0.064  -5.677
   90    H    ASP  12           H        ASP  12  -6.192   4.619 -10.198
   91    HA   ASP  12           HA       ASP  12  -4.346   3.121 -11.873
   92   1HB   ASP  12          1HB       ASP  12  -6.638   3.496 -12.676
   93   2HB   ASP  12          2HB       ASP  12  -6.388   5.237 -12.594
   94    H    SER  13           H        SER  13  -4.985   6.485 -10.946
   95    HA   SER  13           HA       SER  13  -2.667   7.467 -12.344
   96   1HB   SER  13          1HB       SER  13  -4.652   8.884 -12.107
   97   2HB   SER  13          2HB       SER  13  -4.492   8.835 -10.351
   98    HG   SER  13           HG       SER  13  -2.766  10.048 -12.237
   99    H    ALA  14           H        ALA  14  -3.367   6.252  -9.188
  100    HA   ALA  14           HA       ALA  14  -1.447   7.495  -7.620
  101   1HB   ALA  14          1HB       ALA  14  -3.282   5.572  -7.177
  102   2HB   ALA  14          2HB       ALA  14  -1.991   5.975  -6.045
  103   3HB   ALA  14          3HB       ALA  14  -1.806   4.609  -7.145
  104    H    ILE  15           H        ILE  15  -1.117   4.507  -9.531
  105    HA   ILE  15           HA       ILE  15   1.722   4.387  -9.004
  106    HB   ILE  15           HB       ILE  15   1.722   2.394 -10.437
  107   1HG1  ILE  15          1HG1      ILE  15  -1.226   3.008 -10.762
  108   2HG1  ILE  15          2HG1      ILE  15  -0.012   2.980 -12.036
  109   1HG2  ILE  15          1HG2      ILE  15   0.947   1.075  -8.775
  110   2HG2  ILE  15          2HG2      ILE  15  -0.600   1.917  -8.676
  111   3HG2  ILE  15          3HG2      ILE  15   0.834   2.616  -7.924
  112   1HD1  ILE  15          1HD1      ILE  15   0.187   0.648 -11.944
  113   2HD1  ILE  15          2HD1      ILE  15  -1.544   0.977 -11.863
  114   3HD1  ILE  15          3HD1      ILE  15  -0.658   0.554 -10.398
  115    H    ALA  16           H        ALA  16  -0.319   4.873 -11.884
  116    HA   ALA  16           HA       ALA  16   1.471   5.105 -13.880
  117   1HB   ALA  16          1HB       ALA  16  -0.040   6.496 -15.036
  118   2HB   ALA  16          2HB       ALA  16  -0.685   7.170 -13.540
  119   3HB   ALA  16          3HB       ALA  16  -1.026   5.495 -13.970
  120    H    GLN  17           H        GLN  17   3.487   5.857 -13.415
  121    HA   GLN  17           HA       GLN  17   5.158   7.299 -12.798
  122   1HB   GLN  17          1HB       GLN  17   3.458   9.008 -14.613
  123   2HB   GLN  17          2HB       GLN  17   5.110   9.392 -14.147
  124   1HG   GLN  17          1HG       GLN  17   5.817   7.218 -15.144
  125   2HG   GLN  17          2HG       GLN  17   4.168   7.029 -15.752
  126   1HE2  GLN  17          1HE2      GLN  17   7.182   7.978 -16.564
  127   2HE2  GLN  17          2HE2      GLN  17   6.818   9.056 -17.865
  128    H    ASP  18           H        ASP  18   4.734   7.484 -10.572
  129    HA   ASP  18           HA       ASP  18   4.258  10.166  -9.736
  130   1HB   ASP  18          1HB       ASP  18   1.932   9.168  -9.990
  131   2HB   ASP  18          2HB       ASP  18   2.345   8.095  -8.656
  132    H    LYS  19           H        LYS  19   6.460   8.450  -9.554
  133    HA   LYS  19           HA       LYS  19   8.073   7.855  -8.064
  134   1HB   LYS  19          1HB       LYS  19   6.190   9.153  -6.110
  135   2HB   LYS  19          2HB       LYS  19   7.835   8.676  -5.730
  136   1HG   LYS  19          1HG       LYS  19   7.884  10.994  -6.135
  137   2HG   LYS  19          2HG       LYS  19   8.593  10.221  -7.554
  138   1HD   LYS  19          1HD       LYS  19   6.559  10.521  -8.801
  139   2HD   LYS  19          2HD       LYS  19   5.719  11.118  -7.370
  140   1HE   LYS  19          1HE       LYS  19   7.232  13.045  -7.301
  141   2HE   LYS  19          2HE       LYS  19   8.061  12.442  -8.735
  142   1HZ   LYS  19          1HZ       LYS  19   6.492  14.127  -9.358
  143   2HZ   LYS  19          2HZ       LYS  19   5.229  13.319  -8.574
  144   3HZ   LYS  19          3HZ       LYS  19   5.945  12.637  -9.945
  145    H    LEU  20           H        LEU  20   7.698   6.947  -5.368
  146    HA   LEU  20           HA       LEU  20   6.563   4.328  -5.982
  147   1HB   LEU  20          1HB       LEU  20   8.839   4.319  -5.160
  148   2HB   LEU  20          2HB       LEU  20   8.366   5.268  -3.750
  149    HG   LEU  20           HG       LEU  20   6.960   3.367  -2.991
  150   1HD1  LEU  20          1HD1      LEU  20   6.632   1.498  -4.171
  151   2HD1  LEU  20          2HD1      LEU  20   8.302   1.437  -4.734
  152   3HD1  LEU  20          3HD1      LEU  20   7.131   2.473  -5.551
  153   1HD2  LEU  20          1HD2      LEU  20   9.050   3.508  -1.952
  154   2HD2  LEU  20          2HD2      LEU  20   9.907   2.999  -3.406
  155   3HD2  LEU  20          3HD2      LEU  20   8.944   1.834  -2.499
  156    H    VAL  21           H        VAL  21   4.577   3.928  -5.374
  157    HA   VAL  21           HA       VAL  21   3.442   5.360  -3.078
  158    HB   VAL  21           HB       VAL  21   2.011   3.793  -5.231
  159   1HG1  VAL  21          1HG1      VAL  21   0.834   5.706  -3.227
  160   2HG1  VAL  21          2HG1      VAL  21   0.888   3.960  -2.985
  161   3HG1  VAL  21          3HG1      VAL  21  -0.020   4.634  -4.336
  162   1HG2  VAL  21          1HG2      VAL  21   2.900   6.597  -5.054
  163   2HG2  VAL  21          2HG2      VAL  21   1.242   6.349  -5.601
  164   3HG2  VAL  21          3HG2      VAL  21   2.578   5.593  -6.468
  165    H    VAL  22           H        VAL  22   2.791   4.307  -1.282
  166    HA   VAL  22           HA       VAL  22   3.310   1.423  -1.169
  167    HB   VAL  22           HB       VAL  22   2.876   3.363   1.109
  168   1HG1  VAL  22          1HG1      VAL  22   2.285   1.149   1.790
  169   2HG1  VAL  22          2HG1      VAL  22   3.871   1.519   2.466
  170   3HG1  VAL  22          3HG1      VAL  22   3.739   0.476   1.051
  171   1HG2  VAL  22          1HG2      VAL  22   4.952   3.690  -0.328
  172   2HG2  VAL  22          2HG2      VAL  22   5.488   2.127   0.285
  173   3HG2  VAL  22          3HG2      VAL  22   5.208   3.462   1.401
  174    H    VAL  23           H        VAL  23   1.430   0.593  -2.050
  175    HA   VAL  23           HA       VAL  23  -1.104   1.322  -0.775
  176    HB   VAL  23           HB       VAL  23  -0.642  -0.377  -3.232
  177   1HG1  VAL  23          1HG1      VAL  23  -3.140   0.350  -3.527
  178   2HG1  VAL  23          2HG1      VAL  23  -3.079   0.534  -1.774
  179   3HG1  VAL  23          3HG1      VAL  23  -2.723  -1.029  -2.509
  180   1HG2  VAL  23          1HG2      VAL  23  -1.892   1.940  -4.030
  181   2HG2  VAL  23          2HG2      VAL  23  -0.177   1.573  -4.222
  182   3HG2  VAL  23          3HG2      VAL  23  -0.729   2.510  -2.834
  183    H    ASP  24           H        ASP  24  -1.981   0.072   0.708
  184    HA   ASP  24           HA       ASP  24  -0.903  -2.618   1.122
  185   1HB   ASP  24          1HB       ASP  24  -0.839  -1.056   3.029
  186   2HB   ASP  24          2HB       ASP  24  -2.598  -0.883   2.940
  187    H    PHE  25           H        PHE  25  -2.084  -4.397   0.721
  188    HA   PHE  25           HA       PHE  25  -4.855  -4.060  -0.129
  189   1HB   PHE  25          1HB       PHE  25  -2.765  -6.191  -0.536
  190   2HB   PHE  25          2HB       PHE  25  -4.464  -6.480  -0.908
  191    HD1  PHE  25           HD1      PHE  25  -2.089  -3.656  -1.533
  192    HD2  PHE  25           HD2      PHE  25  -4.879  -6.442  -3.114
  193    HE1  PHE  25           HE1      PHE  25  -1.725  -2.728  -3.781
  194    HE2  PHE  25           HE2      PHE  25  -4.540  -5.513  -5.362
  195    HZ   PHE  25           HZ       PHE  25  -2.966  -3.647  -5.702
  196    H    TYR  26           H        TYR  26  -4.616  -3.788   2.531
  197    HA   TYR  26           HA       TYR  26  -4.634  -5.989   4.172
  198   1HB   TYR  26          1HB       TYR  26  -6.249  -4.613   5.602
  199   2HB   TYR  26          2HB       TYR  26  -4.696  -3.880   5.216
  200    HD1  TYR  26           HD1      TYR  26  -8.072  -4.078   3.587
  201    HD2  TYR  26           HD2      TYR  26  -4.810  -1.615   4.765
  202    HE1  TYR  26           HE1      TYR  26  -9.222  -2.121   2.665
  203    HE2  TYR  26           HE2      TYR  26  -5.957   0.334   3.895
  204    HH   TYR  26           HH       TYR  26  -7.678   0.884   2.239
  205    H    ALA  27           H        ALA  27  -6.005  -7.614   4.647
  206    HA   ALA  27           HA       ALA  27  -8.030  -8.308   2.834
  207   1HB   ALA  27          1HB       ALA  27  -7.453  -9.295   5.619
  208   2HB   ALA  27          2HB       ALA  27  -6.979 -10.036   4.088
  209   3HB   ALA  27          3HB       ALA  27  -8.676 -10.003   4.567
  210    H    THR  28           H        THR  28 -10.316  -8.416   3.138
  211    HA   THR  28           HA       THR  28 -11.351  -6.068   4.398
  212    HB   THR  28           HB       THR  28 -12.339  -6.697   2.334
  213    HG1  THR  28           HG1      THR  28 -14.572  -7.149   3.087
  214   1HG2  THR  28          1HG2      THR  28 -12.876  -9.370   3.598
  215   2HG2  THR  28          2HG2      THR  28 -11.924  -9.020   2.155
  216   3HG2  THR  28          3HG2      THR  28 -13.674  -8.807   2.132
  217    H    TRP  29           H        TRP  29 -10.435  -8.879   5.736
  218    HA   TRP  29           HA       TRP  29 -12.492  -8.746   7.829
  219   1HB   TRP  29          1HB       TRP  29 -12.033 -11.265   8.105
  220   2HB   TRP  29          2HB       TRP  29 -12.964 -10.767   6.686
  221    HD1  TRP  29           HD1      TRP  29 -11.426 -10.501   4.353
  222    HE1  TRP  29           HE1      TRP  29  -9.527 -12.018   3.513
  223    HE3  TRP  29           HE3      TRP  29 -10.213 -12.825   8.755
  224    HZ2  TRP  29           HZ2      TRP  29  -7.746 -13.922   4.565
  225    HZ3  TRP  29           HZ3      TRP  29  -8.391 -14.466   8.749
  226    HH2  TRP  29           HH2      TRP  29  -7.183 -15.009   6.697
  227    H    CYS  30           H        CYS  30 -10.445 -11.105   8.723
  228    HA   CYS  30           HA       CYS  30  -8.780 -11.371  10.198
  229   1HB   CYS  30          1HB       CYS  30  -7.418 -10.336   8.465
  230   2HB   CYS  30          2HB       CYS  30  -7.891  -8.743   9.036
  231    HG   CYS  30           HG       CYS  30  -6.571  -9.976  11.329
  232    H    GLY  31           H        GLY  31  -8.950  -7.823  10.340
  233   1HA   GLY  31          1HA       GLY  31 -10.540  -7.054  12.241
  234   2HA   GLY  31          2HA       GLY  31  -9.469  -8.045  13.222
  235    HA   PRO  32           HA       PRO  32  -6.792  -4.554  13.624
  236   1HB   PRO  32          1HB       PRO  32  -4.390  -5.693  14.014
  237   2HB   PRO  32          2HB       PRO  32  -5.693  -5.840  15.200
  238   1HG   PRO  32          1HG       PRO  32  -4.787  -7.803  13.128
  239   2HG   PRO  32          2HG       PRO  32  -5.232  -8.089  14.820
  240   1HD   PRO  32          1HD       PRO  32  -6.918  -8.544  12.716
  241   2HD   PRO  32          2HD       PRO  32  -7.475  -8.141  14.350
  242    H    CYS  33           H        CYS  33  -7.392  -4.864  10.954
  243    HA   CYS  33           HA       CYS  33  -4.790  -4.602   9.599
  244   1HB   CYS  33          1HB       CYS  33  -7.500  -5.423   8.540
  245   2HB   CYS  33          2HB       CYS  33  -6.137  -5.020   7.492
  246    HG   CYS  33           HG       CYS  33  -5.139  -7.219   7.921
  247    H    LYS  34           H        LYS  34  -7.847  -3.080  10.304
  248    HA   LYS  34           HA       LYS  34  -7.491  -0.912   8.444
  249   1HB   LYS  34          1HB       LYS  34  -9.435  -1.279  10.730
  250   2HB   LYS  34          2HB       LYS  34  -9.479   0.056   9.588
  251   1HG   LYS  34          1HG       LYS  34  -9.789  -2.854   8.877
  252   2HG   LYS  34          2HG       LYS  34 -11.105  -1.690   9.043
  253   1HD   LYS  34          1HD       LYS  34 -10.138  -0.351   7.229
  254   2HD   LYS  34          2HD       LYS  34  -8.836  -1.530   7.059
  255   1HE   LYS  34          1HE       LYS  34 -10.462  -3.254   6.476
  256   2HE   LYS  34          2HE       LYS  34 -11.775  -2.094   6.675
  257   1HZ   LYS  34          1HZ       LYS  34 -11.453  -1.334   4.630
  258   2HZ   LYS  34          2HZ       LYS  34 -10.381  -2.616   4.369
  259   3HZ   LYS  34          3HZ       LYS  34  -9.794  -1.116   4.882
  260    H    MET  35           H        MET  35  -6.333  -1.626  11.566
  261    HA   MET  35           HA       MET  35  -6.102   1.062  12.529
  262   1HB   MET  35          1HB       MET  35  -4.685  -1.468  13.373
  263   2HB   MET  35          2HB       MET  35  -4.621   0.058  14.242
  264   1HG   MET  35          1HG       MET  35  -7.035  -0.055  14.611
  265   2HG   MET  35          2HG       MET  35  -7.091  -1.591  13.748
  266   1HE   MET  35          1HE       MET  35  -7.951  -1.449  17.380
  267   2HE   MET  35          2HE       MET  35  -7.868  -3.132  16.856
  268   3HE   MET  35          3HE       MET  35  -8.493  -1.897  15.763
  269    H    ILE  36           H        ILE  36  -4.711  -0.280   9.952
  270    HA   ILE  36           HA       ILE  36  -1.973   0.530  10.332
  271    HB   ILE  36           HB       ILE  36  -3.387  -0.348   7.815
  272   1HG1  ILE  36          1HG1      ILE  36  -1.763  -1.961   9.795
  273   2HG1  ILE  36          2HG1      ILE  36  -3.509  -2.056   9.584
  274   1HG2  ILE  36          1HG2      ILE  36  -0.776   0.673   8.301
  275   2HG2  ILE  36          2HG2      ILE  36  -1.493   0.130   6.783
  276   3HG2  ILE  36          3HG2      ILE  36  -0.649  -1.019   7.819
  277   1HD1  ILE  36          1HD1      ILE  36  -2.634  -2.514   7.055
  278   2HD1  ILE  36          2HD1      ILE  36  -3.029  -3.765   8.235
  279   3HD1  ILE  36          3HD1      ILE  36  -1.354  -3.253   8.020
  280    H    ALA  37           H        ALA  37  -4.889   1.886   9.015
  281    HA   ALA  37           HA       ALA  37  -4.052   3.734   7.194
  282   1HB   ALA  37          1HB       ALA  37  -6.114   4.583   7.377
  283   2HB   ALA  37          2HB       ALA  37  -5.958   4.858   9.111
  284   3HB   ALA  37          3HB       ALA  37  -6.388   3.258   8.507
  285    HA   PRO  38           HA       PRO  38  -2.816   6.854  10.636
  286   1HB   PRO  38          1HB       PRO  38  -2.252   5.864  13.106
  287   2HB   PRO  38          2HB       PRO  38  -3.858   6.447  12.640
  288   1HG   PRO  38          1HG       PRO  38  -2.847   3.659  12.886
  289   2HG   PRO  38          2HG       PRO  38  -4.455   4.310  13.242
  290   1HD   PRO  38          1HD       PRO  38  -3.789   2.910  10.968
  291   2HD   PRO  38          2HD       PRO  38  -5.163   4.009  11.092
  292    H    MET  39           H        MET  39  -1.481   3.593  10.925
  293    HA   MET  39           HA       MET  39   1.190   4.388  11.448
  294   1HB   MET  39          1HB       MET  39   0.407   2.100  11.864
  295   2HB   MET  39          2HB       MET  39   0.133   1.860  10.152
  296   1HG   MET  39          1HG       MET  39   2.501   2.104   9.754
  297   2HG   MET  39          2HG       MET  39   2.786   2.366  11.466
  298   1HE   MET  39          1HE       MET  39   2.142  -0.942  13.127
  299   2HE   MET  39          2HE       MET  39   0.623  -0.187  12.647
  300   3HE   MET  39          3HE       MET  39   1.959   0.809  13.226
  301    H    ILE  40           H        ILE  40  -0.462   3.345   8.478
  302    HA   ILE  40           HA       ILE  40   1.527   3.649   6.613
  303    HB   ILE  40           HB       ILE  40  -1.409   4.351   6.355
  304   1HG1  ILE  40          1HG1      ILE  40   0.117   1.864   5.559
  305   2HG1  ILE  40          2HG1      ILE  40  -0.929   2.020   6.963
  306   1HG2  ILE  40          1HG2      ILE  40  -0.475   5.439   4.523
  307   2HG2  ILE  40          2HG2      ILE  40  -0.909   3.859   3.870
  308   3HG2  ILE  40          3HG2      ILE  40   0.767   4.205   4.298
  309   1HD1  ILE  40          1HD1      ILE  40  -2.507   2.819   4.823
  310   2HD1  ILE  40          2HD1      ILE  40  -2.588   1.283   5.684
  311   3HD1  ILE  40          3HD1      ILE  40  -1.604   1.429   4.228
  312    H    GLU  41           H        GLU  41  -0.270   6.109   8.301
  313    HA   GLU  41           HA       GLU  41   0.556   8.284   6.629
  314   1HB   GLU  41          1HB       GLU  41  -1.528   8.404   7.876
  315   2HB   GLU  41          2HB       GLU  41  -0.664   8.225   9.397
  316   1HG   GLU  41          1HG       GLU  41   0.448  10.370   9.011
  317   2HG   GLU  41          2HG       GLU  41  -0.423  10.545   7.489
  318    H    LYS  42           H        LYS  42   1.653   6.841   9.644
  319    HA   LYS  42           HA       LYS  42   3.457   8.824  10.444
  320   1HB   LYS  42          1HB       LYS  42   3.540   5.836  10.887
  321   2HB   LYS  42          2HB       LYS  42   4.570   6.991  11.720
  322   1HG   LYS  42          1HG       LYS  42   2.599   8.047  12.689
  323   2HG   LYS  42          2HG       LYS  42   1.570   6.881  11.853
  324   1HD   LYS  42          1HD       LYS  42   2.653   5.055  13.066
  325   2HD   LYS  42          2HD       LYS  42   3.688   6.219  13.898
  326   1HE   LYS  42          1HE       LYS  42   1.713   7.267  14.876
  327   2HE   LYS  42          2HE       LYS  42   0.683   6.102  14.047
  328   1HZ   LYS  42          1HZ       LYS  42   1.211   4.469  15.494
  329   2HZ   LYS  42          2HZ       LYS  42   1.523   5.768  16.532
  330   3HZ   LYS  42          3HZ       LYS  42   2.799   5.008  15.722
  331    H    PHE  43           H        PHE  43   3.652   6.516   7.886
  332    HA   PHE  43           HA       PHE  43   6.538   6.774   7.641
  333   1HB   PHE  43          1HB       PHE  43   4.503   5.216   6.038
  334   2HB   PHE  43          2HB       PHE  43   6.228   5.235   5.679
  335    HD1  PHE  43           HD1      PHE  43   4.034   4.728   8.653
  336    HD2  PHE  43           HD2      PHE  43   7.421   3.433   6.430
  337    HE1  PHE  43           HE1      PHE  43   4.377   2.891  10.255
  338    HE2  PHE  43           HE2      PHE  43   7.771   1.593   8.024
  339    HZ   PHE  43           HZ       PHE  43   6.247   1.320   9.941
  340    H    SER  44           H        SER  44   3.742   8.332   6.471
  341    HA   SER  44           HA       SER  44   4.810   9.188   3.959
  342   1HB   SER  44          1HB       SER  44   2.390   9.068   4.312
  343   2HB   SER  44          2HB       SER  44   2.505  10.289   5.590
  344    HG   SER  44           HG       SER  44   3.286  11.744   3.983
  345    H    GLU  45           H        GLU  45   5.576  10.012   7.100
  346    HA   GLU  45           HA       GLU  45   6.130  12.814   6.551
  347   1HB   GLU  45          1HB       GLU  45   5.248  12.202   8.751
  348   2HB   GLU  45          2HB       GLU  45   6.627  11.145   9.023
  349   1HG   GLU  45          1HG       GLU  45   8.121  13.074   8.963
  350   2HG   GLU  45          2HG       GLU  45   6.739  14.136   8.689
  351    H    GLN  46           H        GLN  46   7.782   9.758   6.716
  352    HA   GLN  46           HA       GLN  46  10.406  11.011   6.685
  353   1HB   GLN  46          1HB       GLN  46   9.571   8.110   6.651
  354   2HB   GLN  46          2HB       GLN  46  11.241   8.667   6.685
  355   1HG   GLN  46          1HG       GLN  46  10.827   9.776   8.817
  356   2HG   GLN  46          2HG       GLN  46   9.158   9.211   8.785
  357   1HE2  GLN  46          1HE2      GLN  46   8.809   7.530  10.026
  358   2HE2  GLN  46          2HE2      GLN  46   9.946   6.257  10.381
  359    H    TYR  47           H        TYR  47   8.165   9.513   4.475
  360    HA   TYR  47           HA       TYR  47  10.130   9.912   2.314
  361   1HB   TYR  47          1HB       TYR  47   7.998   7.778   2.503
  362   2HB   TYR  47          2HB       TYR  47   9.063   8.033   1.124
  363    HD1  TYR  47           HD1      TYR  47  11.625   7.921   1.634
  364    HD2  TYR  47           HD2      TYR  47   8.617   6.294   4.160
  365    HE1  TYR  47           HE1      TYR  47  13.300   6.443   2.662
  366    HE2  TYR  47           HE2      TYR  47  10.282   4.800   5.191
  367    HH   TYR  47           HH       TYR  47  13.493   5.229   5.010
  368    HA   PRO  48           HA       PRO  48   5.968  12.474   2.066
  369   1HB   PRO  48          1HB       PRO  48   8.188  14.363   1.405
  370   2HB   PRO  48          2HB       PRO  48   6.646  14.683   2.208
  371   1HG   PRO  48          1HG       PRO  48   8.935  14.435   3.592
  372   2HG   PRO  48          2HG       PRO  48   7.380  13.884   4.238
  373   1HD   PRO  48          1HD       PRO  48   9.684  12.302   3.306
  374   2HD   PRO  48          2HD       PRO  48   8.340  11.831   4.367
  375    H    GLN  49           H        GLN  49   8.864  12.064   0.146
  376    HA   GLN  49           HA       GLN  49   7.886  13.030  -2.306
  377   1HB   GLN  49          1HB       GLN  49   9.984  10.923  -1.764
  378   2HB   GLN  49          2HB       GLN  49   9.698  11.669  -3.331
  379   1HG   GLN  49          1HG       GLN  49  10.586  13.083  -0.825
  380   2HG   GLN  49          2HG       GLN  49  11.602  12.673  -2.207
  381   1HE2  GLN  49          1HE2      GLN  49  10.023  15.126  -0.778
  382   2HE2  GLN  49          2HE2      GLN  49   9.727  16.139  -2.145
  383    H    ALA  50           H        ALA  50   7.719   9.864  -0.787
  384    HA   ALA  50           HA       ALA  50   6.372   8.712  -3.092
  385   1HB   ALA  50          1HB       ALA  50   7.631   7.680  -0.631
  386   2HB   ALA  50          2HB       ALA  50   7.665   7.048  -2.278
  387   3HB   ALA  50          3HB       ALA  50   6.260   6.760  -1.251
  388    H    ASP  51           H        ASP  51   4.259   7.917  -3.073
  389    HA   ASP  51           HA       ASP  51   2.480   9.312  -1.239
  390   1HB   ASP  51          1HB       ASP  51   1.877   7.622  -3.678
  391   2HB   ASP  51          2HB       ASP  51   0.685   8.525  -2.748
  392    H    PHE  52           H        PHE  52   0.790   8.230  -0.085
  393    HA   PHE  52           HA       PHE  52   1.309   5.375   0.391
  394   1HB   PHE  52          1HB       PHE  52   0.814   7.516   2.466
  395   2HB   PHE  52          2HB       PHE  52   0.770   5.779   2.806
  396    HD1  PHE  52           HD1      PHE  52   3.036   8.225   1.118
  397    HD2  PHE  52           HD2      PHE  52   2.660   4.879   3.717
  398    HE1  PHE  52           HE1      PHE  52   5.472   8.230   1.469
  399    HE2  PHE  52           HE2      PHE  52   5.093   4.877   4.074
  400    HZ   PHE  52           HZ       PHE  52   6.503   6.553   2.951
  401    H    TYR  53           H        TYR  53  -0.410   4.656  -0.784
  402    HA   TYR  53           HA       TYR  53  -3.082   5.553   0.053
  403   1HB   TYR  53          1HB       TYR  53  -2.071   4.315  -2.498
  404   2HB   TYR  53          2HB       TYR  53  -3.784   4.319  -2.093
  405    HD1  TYR  53           HD1      TYR  53  -4.759   6.681  -1.443
  406    HD2  TYR  53           HD2      TYR  53  -1.220   6.084  -3.725
  407    HE1  TYR  53           HE1      TYR  53  -4.984   8.943  -2.375
  408    HE2  TYR  53           HE2      TYR  53  -1.433   8.346  -4.661
  409    HH   TYR  53           HH       TYR  53  -3.190  10.023  -5.043
  410    H    LYS  54           H        LYS  54  -4.733   3.626  -0.391
  411    HA   LYS  54           HA       LYS  54  -3.640   1.129   0.687
  412   1HB   LYS  54          1HB       LYS  54  -6.108   2.453   1.824
  413   2HB   LYS  54          2HB       LYS  54  -5.324   0.983   2.389
  414   1HG   LYS  54          1HG       LYS  54  -3.612   2.110   3.397
  415   2HG   LYS  54          2HG       LYS  54  -3.762   3.513   2.346
  416   1HD   LYS  54          1HD       LYS  54  -4.492   4.080   4.582
  417   2HD   LYS  54          2HD       LYS  54  -5.864   4.114   3.477
  418   1HE   LYS  54          1HE       LYS  54  -6.426   3.063   5.616
  419   2HE   LYS  54          2HE       LYS  54  -6.584   1.940   4.270
  420   1HZ   LYS  54          1HZ       LYS  54  -4.379   1.053   4.852
  421   2HZ   LYS  54          2HZ       LYS  54  -5.500   0.862   6.105
  422   3HZ   LYS  54          3HZ       LYS  54  -4.329   2.079   6.196
  423    H    LEU  55           H        LEU  55  -4.812  -0.724   0.144
  424    HA   LEU  55           HA       LEU  55  -6.802  -0.312  -1.981
  425   1HB   LEU  55          1HB       LEU  55  -4.638  -1.494  -2.526
  426   2HB   LEU  55          2HB       LEU  55  -5.151  -2.779  -1.455
  427    HG   LEU  55           HG       LEU  55  -5.532  -3.270  -3.858
  428   1HD1  LEU  55          1HD1      LEU  55  -7.123  -3.861  -1.729
  429   2HD1  LEU  55          2HD1      LEU  55  -7.293  -4.548  -3.343
  430   3HD1  LEU  55          3HD1      LEU  55  -8.281  -3.169  -2.864
  431   1HD2  LEU  55          1HD2      LEU  55  -7.322  -2.138  -5.044
  432   2HD2  LEU  55          2HD2      LEU  55  -6.072  -0.987  -4.570
  433   3HD2  LEU  55          3HD2      LEU  55  -7.583  -1.070  -3.665
  434    H    ASP  56           H        ASP  56  -8.760  -1.329  -1.933
  435    HA   ASP  56           HA       ASP  56  -9.540  -2.462   0.646
  436   1HB   ASP  56          1HB       ASP  56 -10.847  -0.581  -0.492
  437   2HB   ASP  56          2HB       ASP  56 -11.370  -1.791  -1.663
  438    H    VAL  57           H        VAL  57  -9.500  -4.596   0.872
  439    HA   VAL  57           HA       VAL  57  -9.379  -6.355  -1.389
  440    HB   VAL  57           HB       VAL  57  -9.445  -6.883   1.591
  441   1HG1  VAL  57          1HG1      VAL  57  -8.700  -9.226   0.865
  442   2HG1  VAL  57          2HG1      VAL  57  -9.367  -8.822  -0.717
  443   3HG1  VAL  57          3HG1      VAL  57 -10.414  -8.842   0.702
  444   1HG2  VAL  57          1HG2      VAL  57  -7.245  -7.251  -0.452
  445   2HG2  VAL  57          2HG2      VAL  57  -7.117  -7.422   1.300
  446   3HG2  VAL  57          3HG2      VAL  57  -7.418  -5.837   0.589
  447    H    ASP  58           H        ASP  58 -11.949  -4.828  -0.009
  448    HA   ASP  58           HA       ASP  58 -13.792  -7.079  -0.421
  449   1HB   ASP  58          1HB       ASP  58 -13.987  -5.880   1.729
  450   2HB   ASP  58          2HB       ASP  58 -14.298  -4.384   0.861
  451    H    GLU  59           H        GLU  59 -13.222  -3.710  -1.315
  452    HA   GLU  59           HA       GLU  59 -15.340  -3.754  -3.285
  453   1HB   GLU  59          1HB       GLU  59 -14.862  -1.739  -1.915
  454   2HB   GLU  59          2HB       GLU  59 -13.292  -1.603  -2.701
  455   1HG   GLU  59          1HG       GLU  59 -14.819  -0.067  -3.720
  456   2HG   GLU  59          2HG       GLU  59 -14.450  -1.352  -4.869
  457    H    LEU  60           H        LEU  60 -11.807  -3.727  -3.213
  458    HA   LEU  60           HA       LEU  60 -11.805  -4.151  -6.127
  459   1HB   LEU  60          1HB       LEU  60  -9.628  -3.087  -4.328
  460   2HB   LEU  60          2HB       LEU  60  -9.416  -3.442  -6.031
  461    HG   LEU  60           HG       LEU  60 -11.146  -1.736  -6.560
  462   1HD1  LEU  60          1HD1      LEU  60 -11.262  -0.109  -4.387
  463   2HD1  LEU  60          2HD1      LEU  60 -11.348  -1.704  -3.640
  464   3HD1  LEU  60          3HD1      LEU  60 -12.525  -1.242  -4.869
  465   1HD2  LEU  60          1HD2      LEU  60  -9.025  -0.449  -4.891
  466   2HD2  LEU  60          2HD2      LEU  60  -9.675   0.051  -6.452
  467   3HD2  LEU  60          3HD2      LEU  60  -8.601  -1.343  -6.349
  468    H    GLY  61           H        GLY  61 -12.427  -6.311  -4.540
  469   1HA   GLY  61          1HA       GLY  61 -10.321  -7.900  -3.645
  470   2HA   GLY  61          2HA       GLY  61 -11.852  -8.515  -4.249
  471    H    ASP  62           H        ASP  62 -11.390  -7.247  -6.896
  472    HA   ASP  62           HA       ASP  62 -10.215  -9.430  -8.198
  473   1HB   ASP  62          1HB       ASP  62 -10.699  -6.664  -9.218
  474   2HB   ASP  62          2HB       ASP  62 -10.326  -8.048 -10.226
  475    H    VAL  63           H        VAL  63  -8.869  -6.465  -6.980
  476    HA   VAL  63           HA       VAL  63  -6.394  -6.712  -8.433
  477    HB   VAL  63           HB       VAL  63  -6.847  -4.993  -5.995
  478   1HG1  VAL  63          1HG1      VAL  63  -4.575  -5.429  -7.360
  479   2HG1  VAL  63          2HG1      VAL  63  -4.955  -3.899  -6.569
  480   3HG1  VAL  63          3HG1      VAL  63  -5.238  -4.090  -8.299
  481   1HG2  VAL  63          1HG2      VAL  63  -8.687  -4.558  -7.514
  482   2HG2  VAL  63          2HG2      VAL  63  -7.563  -4.365  -8.859
  483   3HG2  VAL  63          3HG2      VAL  63  -7.559  -3.203  -7.532
  484    H    ALA  64           H        ALA  64  -7.465  -7.266  -5.083
  485    HA   ALA  64           HA       ALA  64  -4.994  -8.065  -3.996
  486   1HB   ALA  64          1HB       ALA  64  -6.509  -7.793  -2.324
  487   2HB   ALA  64          2HB       ALA  64  -6.689  -9.534  -2.542
  488   3HB   ALA  64          3HB       ALA  64  -7.848  -8.429  -3.280
  489    H    GLN  65           H        GLN  65  -7.165  -9.631  -6.175
  490    HA   GLN  65           HA       GLN  65  -6.018 -12.263  -5.733
  491   1HB   GLN  65          1HB       GLN  65  -8.157 -11.290  -7.631
  492   2HB   GLN  65          2HB       GLN  65  -7.621 -12.960  -7.527
  493   1HG   GLN  65          1HG       GLN  65  -8.838 -11.395  -5.263
  494   2HG   GLN  65          2HG       GLN  65  -9.711 -12.517  -6.301
  495   1HE2  GLN  65          1HE2      GLN  65  -6.841 -13.973  -6.096
  496   2HE2  GLN  65          2HE2      GLN  65  -7.068 -14.927  -4.678
  497    H    LYS  66           H        LYS  66  -6.007  -9.702  -8.183
  498    HA   LYS  66           HA       LYS  66  -4.666 -11.135 -10.192
  499   1HB   LYS  66          1HB       LYS  66  -4.425  -9.124 -11.318
  500   2HB   LYS  66          2HB       LYS  66  -5.793  -8.779 -10.271
  501   1HG   LYS  66          1HG       LYS  66  -4.365  -7.575  -8.741
  502   2HG   LYS  66          2HG       LYS  66  -2.943  -7.993  -9.697
  503   1HD   LYS  66          1HD       LYS  66  -3.958  -6.789 -11.621
  504   2HD   LYS  66          2HD       LYS  66  -5.270  -6.278 -10.558
  505   1HE   LYS  66          1HE       LYS  66  -3.624  -4.514 -10.746
  506   2HE   LYS  66          2HE       LYS  66  -3.632  -5.160  -9.106
  507   1HZ   LYS  66          1HZ       LYS  66  -1.466  -5.485  -9.321
  508   2HZ   LYS  66          2HZ       LYS  66  -1.493  -5.026 -10.947
  509   3HZ   LYS  66          3HZ       LYS  66  -1.767  -6.639 -10.521
  510    H    ASN  67           H        ASN  67  -3.419  -9.074  -7.585
  511    HA   ASN  67           HA       ASN  67  -0.682  -9.588  -8.233
  512   1HB   ASN  67          1HB       ASN  67  -2.008  -8.329  -5.821
  513   2HB   ASN  67          2HB       ASN  67  -0.269  -8.370  -6.109
  514   1HD2  ASN  67          1HD2      ASN  67  -2.883  -6.472  -6.291
  515   2HD2  ASN  67          2HD2      ASN  67  -2.395  -5.395  -7.572
  516    H    GLU  68           H        GLU  68  -3.044 -11.451  -6.835
  517    HA   GLU  68           HA       GLU  68  -3.032 -13.422  -5.725
  518   1HB   GLU  68          1HB       GLU  68  -0.026 -13.246  -5.999
  519   2HB   GLU  68          2HB       GLU  68  -0.932 -14.677  -5.533
  520   1HG   GLU  68          1HG       GLU  68  -2.022 -14.710  -7.709
  521   2HG   GLU  68          2HG       GLU  68  -1.135 -13.261  -8.180
  522    H    VAL  69           H        VAL  69  -3.179 -11.025  -4.245
  523    HA   VAL  69           HA       VAL  69  -1.660 -11.707  -1.813
  524    HB   VAL  69           HB       VAL  69  -2.983  -9.078  -2.491
  525   1HG1  VAL  69          1HG1      VAL  69  -2.770  -9.652  -0.071
  526   2HG1  VAL  69          2HG1      VAL  69  -1.887  -8.204  -0.555
  527   3HG1  VAL  69          3HG1      VAL  69  -1.021  -9.723  -0.297
  528   1HG2  VAL  69          1HG2      VAL  69  -0.767 -10.030  -3.706
  529   2HG2  VAL  69          2HG2      VAL  69  -0.048  -9.254  -2.296
  530   3HG2  VAL  69          3HG2      VAL  69  -1.061  -8.317  -3.397
  531    H    SER  70           H        SER  70  -2.872 -12.963  -0.537
  532    HA   SER  70           HA       SER  70  -5.659 -12.166  -0.074
  533   1HB   SER  70          1HB       SER  70  -5.668 -14.233  -1.282
  534   2HB   SER  70          2HB       SER  70  -4.516 -14.926  -0.137
  535    HG   SER  70           HG       SER  70  -7.189 -14.148   0.382
  536    H    ALA  71           H        ALA  71  -2.683 -12.259   1.325
  537    HA   ALA  71           HA       ALA  71  -3.162 -13.335   3.875
  538   1HB   ALA  71          1HB       ALA  71  -0.995 -12.277   2.621
  539   2HB   ALA  71          2HB       ALA  71  -1.069 -12.662   4.341
  540   3HB   ALA  71          3HB       ALA  71  -1.372 -11.012   3.792
  541    H    MET  72           H        MET  72  -2.459 -11.088   5.583
  542    HA   MET  72           HA       MET  72  -4.298  -8.983   5.306
  543   1HB   MET  72          1HB       MET  72  -5.991  -9.595   6.935
  544   2HB   MET  72          2HB       MET  72  -5.959 -10.738   5.602
  545   1HG   MET  72          1HG       MET  72  -4.703 -11.189   8.290
  546   2HG   MET  72          2HG       MET  72  -6.268 -11.806   7.783
  547   1HE   MET  72          1HE       MET  72  -4.375 -13.534   9.060
  548   2HE   MET  72          2HE       MET  72  -3.726 -14.826   8.050
  549   3HE   MET  72          3HE       MET  72  -5.469 -14.602   8.182
  550    HA   PRO  73           HA       PRO  73  -3.680  -7.260   5.318
  551   1HB   PRO  73          1HB       PRO  73  -2.145  -5.143   5.633
  552   2HB   PRO  73          2HB       PRO  73  -3.491  -5.422   6.759
  553   1HG   PRO  73          1HG       PRO  73  -0.576  -6.026   7.110
  554   2HG   PRO  73          2HG       PRO  73  -1.688  -5.237   8.240
  555   1HD   PRO  73          1HD       PRO  73  -1.026  -7.909   8.331
  556   2HD   PRO  73          2HD       PRO  73  -2.525  -7.221   8.992
  557    H    THR  74           H        THR  74  -1.852  -5.787   3.892
  558    HA   THR  74           HA       THR  74   0.582  -7.262   3.455
  559    HB   THR  74           HB       THR  74  -1.511  -7.240   1.275
  560    HG1  THR  74           HG1      THR  74  -1.234  -9.609   1.651
  561   1HG2  THR  74          1HG2      THR  74   0.617  -9.098   0.865
  562   2HG2  THR  74          2HG2      THR  74   1.277  -7.479   1.079
  563   3HG2  THR  74          3HG2      THR  74   0.073  -7.779  -0.169
  564    H    LEU  75           H        LEU  75   2.084  -6.138   2.192
  565    HA   LEU  75           HA       LEU  75   1.277  -3.391   1.490
  566   1HB   LEU  75          1HB       LEU  75   4.001  -4.408   2.293
  567   2HB   LEU  75          2HB       LEU  75   3.607  -2.750   1.887
  568    HG   LEU  75           HG       LEU  75   2.558  -4.281   4.267
  569   1HD1  LEU  75          1HD1      LEU  75   4.641  -3.763   4.972
  570   2HD1  LEU  75          2HD1      LEU  75   3.880  -2.204   5.294
  571   3HD1  LEU  75          3HD1      LEU  75   4.822  -2.440   3.823
  572   1HD2  LEU  75          1HD2      LEU  75   2.124  -1.410   3.445
  573   2HD2  LEU  75          2HD2      LEU  75   1.579  -2.152   4.950
  574   3HD2  LEU  75          3HD2      LEU  75   0.912  -2.690   3.408
  575    H    LEU  76           H        LEU  76   1.326  -2.879  -0.594
  576    HA   LEU  76           HA       LEU  76   3.093  -4.417  -2.385
  577   1HB   LEU  76          1HB       LEU  76   0.424  -3.145  -3.013
  578   2HB   LEU  76          2HB       LEU  76   1.472  -3.917  -4.200
  579    HG   LEU  76           HG       LEU  76  -0.121  -5.186  -1.992
  580   1HD1  LEU  76          1HD1      LEU  76  -0.557  -4.809  -4.705
  581   2HD1  LEU  76          2HD1      LEU  76  -1.431  -5.903  -3.633
  582   3HD1  LEU  76          3HD1      LEU  76  -0.056  -6.494  -4.567
  583   1HD2  LEU  76          1HD2      LEU  76   2.308  -6.263  -3.383
  584   2HD2  LEU  76          2HD2      LEU  76   1.042  -7.338  -2.790
  585   3HD2  LEU  76          3HD2      LEU  76   1.910  -6.291  -1.666
  586    H    LEU  77           H        LEU  77   4.579  -3.299  -3.519
  587    HA   LEU  77           HA       LEU  77   4.412  -0.361  -3.425
  588   1HB   LEU  77          1HB       LEU  77   6.827  -2.151  -3.693
  589   2HB   LEU  77          2HB       LEU  77   6.869  -0.400  -3.744
  590    HG   LEU  77           HG       LEU  77   6.012  -0.336  -1.420
  591   1HD1  LEU  77          1HD1      LEU  77   6.049  -3.293  -1.797
  592   2HD1  LEU  77          2HD1      LEU  77   4.843  -2.272  -1.015
  593   3HD1  LEU  77          3HD1      LEU  77   6.369  -2.615  -0.201
  594   1HD2  LEU  77          1HD2      LEU  77   8.379  -0.148  -1.779
  595   2HD2  LEU  77          2HD2      LEU  77   8.543  -1.899  -1.899
  596   3HD2  LEU  77          3HD2      LEU  77   8.099  -1.159  -0.362
  597    H    PHE  78           H        PHE  78   4.685   0.849  -5.257
  598    HA   PHE  78           HA       PHE  78   5.168  -0.510  -7.813
  599   1HB   PHE  78          1HB       PHE  78   2.798   1.304  -7.284
  600   2HB   PHE  78          2HB       PHE  78   3.192   0.542  -8.815
  601    HD1  PHE  78           HD1      PHE  78   3.301  -2.078  -8.772
  602    HD2  PHE  78           HD2      PHE  78   1.299   0.301  -5.871
  603    HE1  PHE  78           HE1      PHE  78   1.922  -4.015  -8.143
  604    HE2  PHE  78           HE2      PHE  78  -0.086  -1.630  -5.238
  605    HZ   PHE  78           HZ       PHE  78   0.221  -3.788  -6.374
  606    H    LYS  79           H        LYS  79   6.587   0.701  -9.055
  607    HA   LYS  79           HA       LYS  79   6.634   3.606  -8.487
  608   1HB   LYS  79          1HB       LYS  79   8.956   1.793  -9.107
  609   2HB   LYS  79          2HB       LYS  79   9.053   3.538  -9.271
  610   1HG   LYS  79          1HG       LYS  79   8.212   3.561  -6.817
  611   2HG   LYS  79          2HG       LYS  79   8.778   1.891  -6.794
  612   1HD   LYS  79          1HD       LYS  79  10.421   4.329  -7.484
  613   2HD   LYS  79          2HD       LYS  79  10.511   3.400  -5.987
  614   1HE   LYS  79          1HE       LYS  79  11.315   1.469  -7.184
  615   2HE   LYS  79          2HE       LYS  79  11.095   2.290  -8.730
  616   1HZ   LYS  79          1HZ       LYS  79  13.135   2.746  -6.658
  617   2HZ   LYS  79          2HZ       LYS  79  12.709   4.006  -7.704
  618   3HZ   LYS  79          3HZ       LYS  79  13.330   2.562  -8.329
  619    H    ASN  80           H        ASN  80   6.544   5.023 -10.145
  620    HA   ASN  80           HA       ASN  80   5.976   5.771 -12.213
  621   1HB   ASN  80          1HB       ASN  80   8.078   3.739 -12.971
  622   2HB   ASN  80          2HB       ASN  80   7.421   4.941 -14.080
  623   1HD2  ASN  80          1HD2      ASN  80  10.005   4.299 -12.302
  624   2HD2  ASN  80          2HD2      ASN  80  10.523   5.894 -11.891
  625    H    GLY  81           H        GLY  81   3.919   4.440 -11.569
  626   1HA   GLY  81          1HA       GLY  81   2.159   3.125 -12.222
  627   2HA   GLY  81          2HA       GLY  81   2.675   3.546 -13.850
  628    H    LYS  82           H        LYS  82   4.761   1.761 -11.735
  629    HA   LYS  82           HA       LYS  82   4.090  -0.744 -13.110
  630   1HB   LYS  82          1HB       LYS  82   6.866   0.386 -12.699
  631   2HB   LYS  82          2HB       LYS  82   6.531  -1.243 -13.259
  632   1HG   LYS  82          1HG       LYS  82   5.459  -0.377 -15.246
  633   2HG   LYS  82          2HG       LYS  82   5.710   1.274 -14.683
  634   1HD   LYS  82          1HD       LYS  82   8.133   0.926 -14.750
  635   2HD   LYS  82          2HD       LYS  82   7.878  -0.725 -15.317
  636   1HE   LYS  82          1HE       LYS  82   6.767   0.141 -17.322
  637   2HE   LYS  82          2HE       LYS  82   7.028   1.790 -16.753
  638   1HZ   LYS  82          1HZ       LYS  82   9.285   1.655 -17.131
  639   2HZ   LYS  82          2HZ       LYS  82   8.668   0.767 -18.431
  640   3HZ   LYS  82          3HZ       LYS  82   9.314  -0.037 -17.091
  641    H    GLU  83           H        GLU  83   6.154  -2.224 -11.817
  642    HA   GLU  83           HA       GLU  83   5.125  -2.199  -9.063
  643   1HB   GLU  83          1HB       GLU  83   4.646  -4.205 -10.477
  644   2HB   GLU  83          2HB       GLU  83   6.373  -4.464 -10.645
  645   1HG   GLU  83          1HG       GLU  83   6.605  -5.049  -8.376
  646   2HG   GLU  83          2HG       GLU  83   4.992  -4.451  -7.977
  647    H    VAL  84           H        VAL  84   6.915  -3.435  -7.602
  648    HA   VAL  84           HA       VAL  84   9.632  -2.848  -8.240
  649    HB   VAL  84           HB       VAL  84   9.992  -1.327  -6.270
  650   1HG1  VAL  84          1HG1      VAL  84   9.730  -0.709  -8.788
  651   2HG1  VAL  84          2HG1      VAL  84   9.782   0.556  -7.568
  652   3HG1  VAL  84          3HG1      VAL  84   8.237   0.055  -8.245
  653   1HG2  VAL  84          1HG2      VAL  84   7.681   0.057  -6.017
  654   2HG2  VAL  84          2HG2      VAL  84   8.219  -1.201  -4.905
  655   3HG2  VAL  84          3HG2      VAL  84   7.075  -1.589  -6.187
  656    H    ALA  85           H        ALA  85   7.364  -3.390  -5.531
  657    HA   ALA  85           HA       ALA  85   8.702  -5.822  -4.837
  658   1HB   ALA  85          1HB       ALA  85   9.073  -3.435  -3.039
  659   2HB   ALA  85          2HB       ALA  85  10.327  -4.368  -3.856
  660   3HB   ALA  85          3HB       ALA  85   9.388  -5.102  -2.555
  661    H    LYS  86           H        LYS  86   7.691  -6.963  -3.106
  662    HA   LYS  86           HA       LYS  86   5.143  -5.880  -2.163
  663   1HB   LYS  86          1HB       LYS  86   4.006  -8.015  -2.676
  664   2HB   LYS  86          2HB       LYS  86   4.544  -7.171  -4.121
  665   1HG   LYS  86          1HG       LYS  86   6.491  -8.661  -4.250
  666   2HG   LYS  86          2HG       LYS  86   5.903  -9.526  -2.829
  667   1HD   LYS  86          1HD       LYS  86   3.859 -10.120  -4.036
  668   2HD   LYS  86          2HD       LYS  86   4.448  -9.256  -5.458
  669   1HE   LYS  86          1HE       LYS  86   5.754 -11.650  -4.168
  670   2HE   LYS  86          2HE       LYS  86   4.816 -11.663  -5.661
  671   1HZ   LYS  86          1HZ       LYS  86   7.194 -11.621  -6.097
  672   2HZ   LYS  86          2HZ       LYS  86   7.352 -10.176  -5.233
  673   3HZ   LYS  86          3HZ       LYS  86   6.457 -10.209  -6.669
  674    H    VAL  87           H        VAL  87   5.266  -5.949  -0.031
  675    HA   VAL  87           HA       VAL  87   6.452  -8.335   1.230
  676    HB   VAL  87           HB       VAL  87   6.641  -5.503   2.270
  677   1HG1  VAL  87          1HG1      VAL  87   8.159  -6.464   3.940
  678   2HG1  VAL  87          2HG1      VAL  87   7.838  -8.075   3.297
  679   3HG1  VAL  87          3HG1      VAL  87   6.540  -7.152   4.054
  680   1HG2  VAL  87          1HG2      VAL  87   8.412  -7.132   0.561
  681   2HG2  VAL  87          2HG2      VAL  87   9.191  -6.255   1.878
  682   3HG2  VAL  87          3HG2      VAL  87   8.240  -5.380   0.677
  683    H    VAL  88           H        VAL  88   4.463  -9.315   1.568
  684    HA   VAL  88           HA       VAL  88   2.192  -8.065   2.637
  685    HB   VAL  88           HB       VAL  88   2.050 -10.223   1.522
  686   1HG1  VAL  88          1HG1      VAL  88   3.104 -12.140   2.182
  687   2HG1  VAL  88          2HG1      VAL  88   3.154 -11.662   3.879
  688   3HG1  VAL  88          3HG1      VAL  88   4.285 -10.951   2.728
  689   1HG2  VAL  88          1HG2      VAL  88   0.769  -9.531   3.930
  690   2HG2  VAL  88          2HG2      VAL  88   1.104 -11.262   4.014
  691   3HG2  VAL  88          3HG2      VAL  88   0.191 -10.603   2.656
  692    H    GLY  89           H        GLY  89   2.980  -6.744   4.340
  693   1HA   GLY  89          1HA       GLY  89   2.468  -7.336   6.871
  694   2HA   GLY  89          2HA       GLY  89   4.055  -8.073   6.706
  695    H    ALA  90           H        ALA  90   2.424  -5.298   7.559
  696    HA   ALA  90           HA       ALA  90   4.624  -3.498   6.875
  697   1HB   ALA  90          1HB       ALA  90   2.252  -2.554   8.396
  698   2HB   ALA  90          2HB       ALA  90   2.027  -3.023   6.711
  699   3HB   ALA  90          3HB       ALA  90   3.177  -1.751   7.127
  700    H    ASN  91           H        ASN  91   5.190  -5.522   8.764
  701    HA   ASN  91           HA       ASN  91   5.034  -4.497  11.410
  702   1HB   ASN  91          1HB       ASN  91   6.734  -6.676  10.185
  703   2HB   ASN  91          2HB       ASN  91   6.602  -6.355  11.903
  704   1HD2  ASN  91          1HD2      ASN  91   5.306  -7.697  12.908
  705   2HD2  ASN  91          2HD2      ASN  91   3.875  -8.415  12.256
  706    HA   PRO  92           HA       PRO  92   8.240  -1.410  11.265
  707   1HB   PRO  92          1HB       PRO  92   8.770  -2.537  13.989
  708   2HB   PRO  92          2HB       PRO  92   8.657  -0.848  13.475
  709   1HG   PRO  92          1HG       PRO  92   6.613  -1.967  14.717
  710   2HG   PRO  92          2HG       PRO  92   6.335  -0.919  13.311
  711   1HD   PRO  92          1HD       PRO  92   6.207  -3.895  13.508
  712   2HD   PRO  92          2HD       PRO  92   5.220  -2.783  12.538
  713    H    ALA  93           H        ALA  93   9.475  -2.634   9.676
  714    HA   ALA  93           HA       ALA  93  12.096  -3.143  10.397
  715   1HB   ALA  93          1HB       ALA  93  10.363  -5.585  10.452
  716   2HB   ALA  93          2HB       ALA  93  11.600  -5.070  11.598
  717   3HB   ALA  93          3HB       ALA  93  12.068  -5.694  10.017
  718    H    ALA  94           H        ALA  94   9.461  -4.016   8.217
  719    HA   ALA  94           HA       ALA  94  11.384  -3.934   5.991
  720   1HB   ALA  94          1HB       ALA  94  10.156  -5.524   4.813
  721   2HB   ALA  94          2HB       ALA  94   8.710  -5.267   5.791
  722   3HB   ALA  94          3HB       ALA  94  10.100  -6.109   6.476
  723    H    ILE  95           H        ILE  95   8.049  -3.084   6.890
  724    HA   ILE  95           HA       ILE  95   7.352  -1.686   4.606
  725    HB   ILE  95           HB       ILE  95   5.716  -2.142   6.303
  726   1HG1  ILE  95          1HG1      ILE  95   4.604   0.019   6.503
  727   2HG1  ILE  95          2HG1      ILE  95   6.108   0.852   6.127
  728   1HG2  ILE  95          1HG2      ILE  95   7.415  -0.393   8.054
  729   2HG2  ILE  95          2HG2      ILE  95   6.970  -2.080   8.300
  730   3HG2  ILE  95          3HG2      ILE  95   5.749  -0.815   8.449
  731   1HD1  ILE  95          1HD1      ILE  95   5.271   0.908   4.056
  732   2HD1  ILE  95          2HD1      ILE  95   4.160  -0.425   4.357
  733   3HD1  ILE  95          3HD1      ILE  95   5.845  -0.755   3.964
  734    H    LYS  96           H        LYS  96   9.803  -0.921   6.851
  735    HA   LYS  96           HA       LYS  96   9.737   1.934   6.254
  736   1HB   LYS  96          1HB       LYS  96  11.614   2.099   7.834
  737   2HB   LYS  96          2HB       LYS  96  10.228   1.290   8.551
  738   1HG   LYS  96          1HG       LYS  96  11.315  -0.881   8.139
  739   2HG   LYS  96          2HG       LYS  96  12.721  -0.028   7.499
  740   1HD   LYS  96          1HD       LYS  96  11.622   0.232  10.297
  741   2HD   LYS  96          2HD       LYS  96  13.056  -0.686   9.833
  742   1HE   LYS  96          1HE       LYS  96  14.114   1.376   9.042
  743   2HE   LYS  96          2HE       LYS  96  12.680   2.290   9.510
  744   1HZ   LYS  96          1HZ       LYS  96  14.716   1.031  11.217
  745   2HZ   LYS  96          2HZ       LYS  96  13.149   1.241  11.817
  746   3HZ   LYS  96          3HZ       LYS  96  14.048   2.583  11.312
  747    H    GLN  97           H        GLN  97  11.954  -0.817   5.862
  748    HA   GLN  97           HA       GLN  97  13.802   0.661   4.263
  749   1HB   GLN  97          1HB       GLN  97  13.466  -2.327   4.600
  750   2HB   GLN  97          2HB       GLN  97  14.837  -1.541   3.827
  751   1HG   GLN  97          1HG       GLN  97  15.387  -0.436   5.940
  752   2HG   GLN  97          2HG       GLN  97  14.026  -1.252   6.711
  753   1HE2  GLN  97          1HE2      GLN  97  14.600  -2.934   7.864
  754   2HE2  GLN  97          2HE2      GLN  97  15.920  -3.999   7.538
  755    H    ALA  98           H        ALA  98  11.011  -1.348   3.655
  756    HA   ALA  98           HA       ALA  98  11.392  -1.825   0.913
  757   1HB   ALA  98          1HB       ALA  98   9.621  -2.750   2.617
  758   2HB   ALA  98          2HB       ALA  98   9.250  -2.654   0.896
  759   3HB   ALA  98          3HB       ALA  98   8.645  -1.417   1.997
  760    H    ILE  99           H        ILE  99  10.234   0.948   2.668
  761    HA   ILE  99           HA       ILE  99   9.327   2.299   0.257
  762    HB   ILE  99           HB       ILE  99   9.414   3.260   3.125
  763   1HG1  ILE  99          1HG1      ILE  99   7.104   2.255   1.443
  764   2HG1  ILE  99          2HG1      ILE  99   7.878   1.365   2.750
  765   1HG2  ILE  99          1HG2      ILE  99   8.107   4.474   0.689
  766   2HG2  ILE  99          2HG2      ILE  99   9.490   5.123   1.567
  767   3HG2  ILE  99          3HG2      ILE  99   7.911   5.047   2.344
  768   1HD1  ILE  99          1HD1      ILE  99   6.708   4.050   3.295
  769   2HD1  ILE  99          2HD1      ILE  99   6.934   2.679   4.379
  770   3HD1  ILE  99          3HD1      ILE  99   5.656   2.641   3.164
  771    H    ALA 100           H        ALA 100  12.200   1.975   2.052
  772    HA   ALA 100           HA       ALA 100  13.267   4.567   1.276
  773   1HB   ALA 100          1HB       ALA 100  13.709   2.967   3.449
  774   2HB   ALA 100          2HB       ALA 100  14.740   4.304   2.939
  775   3HB   ALA 100          3HB       ALA 100  15.132   2.653   2.458
  776    H    ALA 101           H        ALA 101  14.635   1.287   1.064
  777    HA   ALA 101           HA       ALA 101  16.473   1.757  -0.920
  778   1HB   ALA 101          1HB       ALA 101  16.791  -0.316  -0.069
  779   2HB   ALA 101          2HB       ALA 101  15.863  -0.785  -1.492
  780   3HB   ALA 101          3HB       ALA 101  15.064  -0.643   0.074
  781    H    ASN 102           H        ASN 102  13.022   1.337  -1.233
  782    HA   ASN 102           HA       ASN 102  13.110   0.973  -4.086
  783   1HB   ASN 102          1HB       ASN 102  10.857   1.391  -2.118
  784   2HB   ASN 102          2HB       ASN 102  10.621   1.145  -3.848
  785   1HD2  ASN 102          1HD2      ASN 102  10.097  -0.848  -4.346
  786   2HD2  ASN 102          2HD2      ASN 102  10.620  -2.278  -3.531
  787    H    ALA 103           H        ALA 103  12.059   3.522  -1.838
  788    HA   ALA 103           HA       ALA 103  11.351   5.383  -3.852
  789   1HB   ALA 103          1HB       ALA 103  10.463   5.565  -1.605
  790   2HB   ALA 103          2HB       ALA 103  11.339   7.036  -2.030
  791   3HB   ALA 103          3HB       ALA 103  12.082   5.845  -0.963
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   0.615  10.968   4.435
    2   2H    MET   1          2H        MET   1  -0.194  10.893   5.948
    3   3H    MET   1          3H        MET   1   0.047  12.406   5.175
    4    HA   MET   1           HA       MET   1  -2.211  11.559   4.997
    5   1HB   MET   1          1HB       MET   1  -1.257  13.154   3.399
    6   2HB   MET   1          2HB       MET   1  -0.596  11.830   2.452
    7   1HG   MET   1          1HG       MET   1  -2.601  12.715   1.426
    8   2HG   MET   1          2HG       MET   1  -2.847  11.050   1.952
    9   1HE   MET   1          1HE       MET   1  -5.753  13.373   1.674
   10   2HE   MET   1          2HE       MET   1  -6.275  11.878   2.451
   11   3HE   MET   1          3HE       MET   1  -5.060  11.830   1.173
   12    H    VAL   2           H        VAL   2  -3.612   9.962   4.357
   13    HA   VAL   2           HA       VAL   2  -2.641   7.664   2.879
   14    HB   VAL   2           HB       VAL   2  -3.750   7.311   5.669
   15   1HG1  VAL   2          1HG1      VAL   2  -3.801   5.573   3.489
   16   2HG1  VAL   2          2HG1      VAL   2  -4.089   5.169   5.181
   17   3HG1  VAL   2          3HG1      VAL   2  -2.472   5.004   4.501
   18   1HG2  VAL   2          1HG2      VAL   2  -0.947   7.016   4.601
   19   2HG2  VAL   2          2HG2      VAL   2  -1.479   6.382   6.159
   20   3HG2  VAL   2          3HG2      VAL   2  -1.511   8.119   5.856
   21    H    THR   3           H        THR   3  -4.238   6.637   1.764
   22    HA   THR   3           HA       THR   3  -7.024   7.098   2.467
   23    HB   THR   3           HB       THR   3  -5.883   7.885  -0.222
   24    HG1  THR   3           HG1      THR   3  -6.135   9.905   0.419
   25   1HG2  THR   3          1HG2      THR   3  -8.087   8.634  -0.817
   26   2HG2  THR   3          2HG2      THR   3  -8.724   8.107   0.741
   27   3HG2  THR   3          3HG2      THR   3  -8.135   6.917  -0.421
   28    H    GLN   4           H        GLN   4  -8.493   5.678   1.393
   29    HA   GLN   4           HA       GLN   4  -7.244   3.144   0.633
   30   1HB   GLN   4          1HB       GLN   4 -10.173   3.746   1.047
   31   2HB   GLN   4          2HB       GLN   4  -9.412   2.163   0.997
   32   1HG   GLN   4          1HG       GLN   4  -8.249   2.622   3.068
   33   2HG   GLN   4          2HG       GLN   4  -8.925   4.247   3.113
   34   1HE2  GLN   4          1HE2      GLN   4 -11.302   2.318   1.891
   35   2HE2  GLN   4          2HE2      GLN   4 -12.133   1.933   3.351
   36    H    PHE   5           H        PHE   5  -8.705   1.888  -1.049
   37    HA   PHE   5           HA       PHE   5  -9.363   3.703  -3.261
   38   1HB   PHE   5          1HB       PHE   5  -7.724   1.175  -3.392
   39   2HB   PHE   5          2HB       PHE   5  -8.481   1.898  -4.818
   40    HD1  PHE   5           HD1      PHE   5  -8.043   4.804  -3.981
   41    HD2  PHE   5           HD2      PHE   5  -5.468   1.408  -4.059
   42    HE1  PHE   5           HE1      PHE   5  -6.105   6.286  -4.319
   43    HE2  PHE   5           HE2      PHE   5  -3.533   2.892  -4.394
   44    HZ   PHE   5           HZ       PHE   5  -3.848   5.324  -4.528
   45    H    LYS   6           H        LYS   6 -11.175   3.288  -4.362
   46    HA   LYS   6           HA       LYS   6 -12.697   0.880  -3.601
   47   1HB   LYS   6          1HB       LYS   6 -13.727   3.615  -4.387
   48   2HB   LYS   6          2HB       LYS   6 -14.736   2.217  -4.047
   49   1HG   LYS   6          1HG       LYS   6 -12.896   3.588  -2.096
   50   2HG   LYS   6          2HG       LYS   6 -14.655   3.726  -2.147
   51   1HD   LYS   6          1HD       LYS   6 -14.856   1.330  -1.692
   52   2HD   LYS   6          2HD       LYS   6 -13.098   1.188  -1.651
   53   1HE   LYS   6          1HE       LYS   6 -14.023   1.303   0.603
   54   2HE   LYS   6          2HE       LYS   6 -13.013   2.706   0.258
   55   1HZ   LYS   6          1HZ       LYS   6 -15.070   3.319   1.384
   56   2HZ   LYS   6          2HZ       LYS   6 -15.981   2.654   0.124
   57   3HZ   LYS   6          3HZ       LYS   6 -14.998   4.001  -0.164
   58    H    THR   7           H        THR   7 -12.096   3.205  -6.217
   59    HA   THR   7           HA       THR   7 -12.873   1.115  -8.143
   60    HB   THR   7           HB       THR   7 -13.339   2.954  -9.731
   61    HG1  THR   7           HG1      THR   7 -12.766   4.597  -7.496
   62   1HG2  THR   7          1HG2      THR   7 -14.810   2.785  -7.160
   63   2HG2  THR   7          2HG2      THR   7 -15.340   2.404  -8.798
   64   3HG2  THR   7          3HG2      THR   7 -15.212   4.086  -8.281
   65    H    ALA   8           H        ALA   8 -11.411   0.467  -9.624
   66    HA   ALA   8           HA       ALA   8  -8.702   0.910  -9.276
   67   1HB   ALA   8          1HB       ALA   8 -10.359  -0.281 -11.421
   68   2HB   ALA   8          2HB       ALA   8  -9.031  -0.979 -10.494
   69   3HB   ALA   8          3HB       ALA   8  -8.692   0.129 -11.824
   70    H    SER   9           H        SER   9 -11.014   2.829 -10.981
   71    HA   SER   9           HA       SER   9  -9.284   4.206 -12.719
   72   1HB   SER   9          1HB       SER   9 -11.834   5.173 -11.401
   73   2HB   SER   9          2HB       SER   9 -11.042   5.941 -12.776
   74    HG   SER   9           HG       SER   9 -11.789   4.433 -14.058
   75    H    GLU  10           H        GLU  10  -9.560   4.269  -9.319
   76    HA   GLU  10           HA       GLU  10  -8.454   6.922  -9.049
   77   1HB   GLU  10          1HB       GLU  10  -9.184   4.870  -6.969
   78   2HB   GLU  10          2HB       GLU  10  -8.609   6.494  -6.616
   79   1HG   GLU  10          1HG       GLU  10 -10.567   7.437  -7.717
   80   2HG   GLU  10          2HG       GLU  10 -11.139   5.813  -8.095
   81    H    PHE  11           H        PHE  11  -7.593   3.693  -7.958
   82    HA   PHE  11           HA       PHE  11  -4.979   4.302  -7.146
   83   1HB   PHE  11          1HB       PHE  11  -6.312   2.234  -6.564
   84   2HB   PHE  11          2HB       PHE  11  -5.932   1.622  -8.168
   85    HD1  PHE  11           HD1      PHE  11  -5.139  -0.226  -6.415
   86    HD2  PHE  11           HD2      PHE  11  -3.164   3.476  -7.137
   87    HE1  PHE  11           HE1      PHE  11  -3.044  -1.170  -5.536
   88    HE2  PHE  11           HE2      PHE  11  -1.070   2.535  -6.271
   89    HZ   PHE  11           HZ       PHE  11  -1.010   0.213  -5.467
   90    H    ASP  12           H        ASP  12  -6.327   3.486 -10.266
   91    HA   ASP  12           HA       ASP  12  -4.040   2.751 -11.658
   92   1HB   ASP  12          1HB       ASP  12  -6.300   2.579 -12.598
   93   2HB   ASP  12          2HB       ASP  12  -6.410   4.335 -12.674
   94    H    SER  13           H        SER  13  -4.977   5.845 -10.443
   95    HA   SER  13           HA       SER  13  -3.258   7.362 -12.187
   96   1HB   SER  13          1HB       SER  13  -5.285   8.388 -11.282
   97   2HB   SER  13          2HB       SER  13  -4.686   8.159  -9.638
   98    HG   SER  13           HG       SER  13  -3.545   9.904  -9.852
   99    H    ALA  14           H        ALA  14  -3.176   6.337  -8.784
  100    HA   ALA  14           HA       ALA  14  -0.842   7.580  -7.979
  101   1HB   ALA  14          1HB       ALA  14  -2.441   5.319  -7.070
  102   2HB   ALA  14          2HB       ALA  14  -1.657   6.598  -6.144
  103   3HB   ALA  14          3HB       ALA  14  -0.734   5.180  -6.649
  104    H    ILE  15           H        ILE  15  -1.213   4.414  -9.536
  105    HA   ILE  15           HA       ILE  15   1.626   3.937  -9.634
  106    HB   ILE  15           HB       ILE  15   1.058   1.954 -10.951
  107   1HG1  ILE  15          1HG1      ILE  15  -1.787   2.954 -10.689
  108   2HG1  ILE  15          2HG1      ILE  15  -0.869   2.822 -12.185
  109   1HG2  ILE  15          1HG2      ILE  15  -0.009   0.746  -9.188
  110   2HG2  ILE  15          2HG2      ILE  15  -0.737   2.221  -8.549
  111   3HG2  ILE  15          3HG2      ILE  15   1.008   1.989  -8.459
  112   1HD1  ILE  15          1HD1      ILE  15  -1.069   0.333 -10.649
  113   2HD1  ILE  15          2HD1      ILE  15  -1.274   0.628 -12.376
  114   3HD1  ILE  15          3HD1      ILE  15  -2.600   0.959 -11.262
  115    H    ALA  16           H        ALA  16  -0.316   5.966 -11.435
  116    HA   ALA  16           HA       ALA  16   1.113   5.431 -13.916
  117   1HB   ALA  16          1HB       ALA  16  -0.513   6.573 -14.998
  118   2HB   ALA  16          2HB       ALA  16  -0.628   7.811 -13.748
  119   3HB   ALA  16          3HB       ALA  16  -1.418   6.251 -13.520
  120    H    GLN  17           H        GLN  17   3.226   5.950 -13.148
  121    HA   GLN  17           HA       GLN  17   5.017   7.295 -12.717
  122   1HB   GLN  17          1HB       GLN  17   3.435   9.059 -14.587
  123   2HB   GLN  17          2HB       GLN  17   5.108   9.352 -14.134
  124   1HG   GLN  17          1HG       GLN  17   5.743   7.200 -15.112
  125   2HG   GLN  17          2HG       GLN  17   4.062   6.930 -15.586
  126   1HE2  GLN  17          1HE2      GLN  17   3.748   7.286 -17.646
  127   2HE2  GLN  17          2HE2      GLN  17   4.508   8.501 -18.609
  128    H    ASP  18           H        ASP  18   4.806   7.692 -10.526
  129    HA   ASP  18           HA       ASP  18   4.444  10.401  -9.805
  130   1HB   ASP  18          1HB       ASP  18   2.068   9.732  -9.994
  131   2HB   ASP  18          2HB       ASP  18   2.342   8.483  -8.784
  132    H    LYS  19           H        LYS  19   6.510   8.509  -9.500
  133    HA   LYS  19           HA       LYS  19   8.106   8.046  -7.923
  134   1HB   LYS  19          1HB       LYS  19   6.086   9.245  -6.047
  135   2HB   LYS  19          2HB       LYS  19   7.709   8.787  -5.574
  136   1HG   LYS  19          1HG       LYS  19   8.685  10.472  -6.868
  137   2HG   LYS  19          2HG       LYS  19   7.194  10.759  -7.773
  138   1HD   LYS  19          1HD       LYS  19   6.148  11.581  -5.685
  139   2HD   LYS  19          2HD       LYS  19   7.694  11.365  -4.861
  140   1HE   LYS  19          1HE       LYS  19   8.737  12.960  -6.391
  141   2HE   LYS  19          2HE       LYS  19   7.196  13.172  -7.223
  142   1HZ   LYS  19          1HZ       LYS  19   7.872  13.950  -4.443
  143   2HZ   LYS  19          2HZ       LYS  19   6.286  13.924  -5.032
  144   3HZ   LYS  19          3HZ       LYS  19   7.427  14.963  -5.723
  145    H    LEU  20           H        LEU  20   7.637   7.046  -5.281
  146    HA   LEU  20           HA       LEU  20   6.604   4.419  -6.017
  147   1HB   LEU  20          1HB       LEU  20   8.827   4.406  -5.105
  148   2HB   LEU  20          2HB       LEU  20   8.312   5.362  -3.714
  149    HG   LEU  20           HG       LEU  20   6.900   3.465  -2.975
  150   1HD1  LEU  20          1HD1      LEU  20   7.245   2.553  -5.562
  151   2HD1  LEU  20          2HD1      LEU  20   6.505   1.676  -4.223
  152   3HD1  LEU  20          3HD1      LEU  20   8.218   1.455  -4.583
  153   1HD2  LEU  20          1HD2      LEU  20   8.975   3.604  -1.899
  154   2HD2  LEU  20          2HD2      LEU  20   9.854   3.081  -3.335
  155   3HD2  LEU  20          3HD2      LEU  20   8.869   1.927  -2.436
  156    H    VAL  21           H        VAL  21   4.619   3.937  -5.502
  157    HA   VAL  21           HA       VAL  21   3.319   5.288  -3.248
  158    HB   VAL  21           HB       VAL  21   2.068   3.710  -5.505
  159   1HG1  VAL  21          1HG1      VAL  21   0.764   5.455  -3.421
  160   2HG1  VAL  21          2HG1      VAL  21   0.767   3.692  -3.409
  161   3HG1  VAL  21          3HG1      VAL  21  -0.048   4.563  -4.708
  162   1HG2  VAL  21          1HG2      VAL  21   2.776   6.564  -5.188
  163   2HG2  VAL  21          2HG2      VAL  21   1.196   6.211  -5.889
  164   3HG2  VAL  21          3HG2      VAL  21   2.658   5.576  -6.645
  165    H    VAL  22           H        VAL  22   2.974   4.205  -1.429
  166    HA   VAL  22           HA       VAL  22   3.314   1.294  -1.432
  167    HB   VAL  22           HB       VAL  22   3.232   3.187   0.922
  168   1HG1  VAL  22          1HG1      VAL  22   3.448   1.421   2.289
  169   2HG1  VAL  22          2HG1      VAL  22   4.556   0.589   1.197
  170   3HG1  VAL  22          3HG1      VAL  22   2.816   0.490   0.930
  171   1HG2  VAL  22          1HG2      VAL  22   5.167   3.287  -0.854
  172   2HG2  VAL  22          2HG2      VAL  22   5.722   1.844  -0.008
  173   3HG2  VAL  22          3HG2      VAL  22   5.518   3.359   0.872
  174    H    VAL  23           H        VAL  23   1.360   0.470  -2.008
  175    HA   VAL  23           HA       VAL  23  -1.003   1.372  -0.519
  176    HB   VAL  23           HB       VAL  23  -0.908  -0.318  -3.020
  177   1HG1  VAL  23          1HG1      VAL  23  -2.916  -0.513  -1.494
  178   2HG1  VAL  23          2HG1      VAL  23  -3.250  -0.028  -3.156
  179   3HG1  VAL  23          3HG1      VAL  23  -3.252   1.176  -1.869
  180   1HG2  VAL  23          1HG2      VAL  23  -0.265   1.634  -3.950
  181   2HG2  VAL  23          2HG2      VAL  23  -0.837   2.595  -2.587
  182   3HG2  VAL  23          3HG2      VAL  23  -1.976   2.027  -3.805
  183    H    ASP  24           H        ASP  24  -1.988   0.097   0.894
  184    HA   ASP  24           HA       ASP  24  -0.943  -2.611   1.282
  185   1HB   ASP  24          1HB       ASP  24  -0.871  -1.084   3.215
  186   2HB   ASP  24          2HB       ASP  24  -2.625  -0.873   3.111
  187    H    PHE  25           H        PHE  25  -2.169  -4.377   0.891
  188    HA   PHE  25           HA       PHE  25  -4.912  -3.967  -0.019
  189   1HB   PHE  25          1HB       PHE  25  -2.868  -6.153  -0.373
  190   2HB   PHE  25          2HB       PHE  25  -4.566  -6.411  -0.768
  191    HD1  PHE  25           HD1      PHE  25  -2.101  -3.654  -1.420
  192    HD2  PHE  25           HD2      PHE  25  -4.962  -6.389  -2.965
  193    HE1  PHE  25           HE1      PHE  25  -1.680  -2.796  -3.693
  194    HE2  PHE  25           HE2      PHE  25  -4.569  -5.531  -5.227
  195    HZ   PHE  25           HZ       PHE  25  -2.933  -3.727  -5.601
  196    H    TYR  26           H        TYR  26  -4.768  -3.696   2.656
  197    HA   TYR  26           HA       TYR  26  -4.884  -5.905   4.296
  198   1HB   TYR  26          1HB       TYR  26  -6.500  -4.493   5.687
  199   2HB   TYR  26          2HB       TYR  26  -4.927  -3.787   5.336
  200    HD1  TYR  26           HD1      TYR  26  -8.244  -3.938   3.586
  201    HD2  TYR  26           HD2      TYR  26  -5.011  -1.521   4.924
  202    HE1  TYR  26           HE1      TYR  26  -9.333  -1.966   2.622
  203    HE2  TYR  26           HE2      TYR  26  -6.099   0.462   3.999
  204    HH   TYR  26           HH       TYR  26  -9.325   0.485   2.965
  205    H    ALA  27           H        ALA  27  -6.421  -7.398   4.884
  206    HA   ALA  27           HA       ALA  27  -8.338  -8.135   2.962
  207   1HB   ALA  27          1HB       ALA  27  -7.750  -9.007   5.754
  208   2HB   ALA  27          2HB       ALA  27  -7.663  -9.921   4.248
  209   3HB   ALA  27          3HB       ALA  27  -9.230  -9.553   4.967
  210    H    THR  28           H        THR  28 -10.666  -8.241   3.217
  211    HA   THR  28           HA       THR  28 -11.697  -5.751   4.243
  212    HB   THR  28           HB       THR  28 -12.511  -6.472   2.097
  213    HG1  THR  28           HG1      THR  28 -14.058  -5.437   3.351
  214   1HG2  THR  28          1HG2      THR  28 -12.264  -8.835   2.154
  215   2HG2  THR  28          2HG2      THR  28 -13.977  -8.483   1.919
  216   3HG2  THR  28          3HG2      THR  28 -13.389  -8.981   3.505
  217    H    TRP  29           H        TRP  29 -10.984  -8.516   5.767
  218    HA   TRP  29           HA       TRP  29 -13.300  -8.322   7.576
  219   1HB   TRP  29          1HB       TRP  29 -12.736 -10.787   8.092
  220   2HB   TRP  29          2HB       TRP  29 -13.561 -10.423   6.568
  221    HD1  TRP  29           HD1      TRP  29 -12.065 -10.572   4.312
  222    HE1  TRP  29           HE1      TRP  29  -9.931 -11.909   3.787
  223    HE3  TRP  29           HE3      TRP  29 -10.601 -11.661   9.083
  224    HZ2  TRP  29           HZ2      TRP  29  -7.889 -13.235   5.206
  225    HZ3  TRP  29           HZ3      TRP  29  -8.539 -12.957   9.418
  226    HH2  TRP  29           HH2      TRP  29  -7.212 -13.733   7.518
  227    H    CYS  30           H        CYS  30  -9.857  -9.225   7.374
  228    HA   CYS  30           HA       CYS  30  -9.223  -9.646   9.979
  229   1HB   CYS  30          1HB       CYS  30  -7.628  -9.686   8.030
  230   2HB   CYS  30          2HB       CYS  30  -7.513  -7.931   8.170
  231    HG   CYS  30           HG       CYS  30  -6.290  -8.197  10.402
  232    H    GLY  31           H        GLY  31  -9.251  -8.548  11.826
  233   1HA   GLY  31          1HA       GLY  31 -10.247  -5.859  11.885
  234   2HA   GLY  31          2HA       GLY  31  -9.799  -6.835  13.273
  235    HA   PRO  32           HA       PRO  32  -5.903  -4.974  14.148
  236   1HB   PRO  32          1HB       PRO  32  -4.094  -6.717  12.771
  237   2HB   PRO  32          2HB       PRO  32  -4.449  -6.657  14.496
  238   1HG   PRO  32          1HG       PRO  32  -5.525  -8.454  12.414
  239   2HG   PRO  32          2HG       PRO  32  -5.369  -8.718  14.159
  240   1HD   PRO  32          1HD       PRO  32  -7.754  -8.297  13.005
  241   2HD   PRO  32          2HD       PRO  32  -7.382  -7.664  14.623
  242    H    CYS  33           H        CYS  33  -6.402  -5.947  10.802
  243    HA   CYS  33           HA       CYS  33  -4.392  -4.394   9.617
  244   1HB   CYS  33          1HB       CYS  33  -7.044  -5.382   8.576
  245   2HB   CYS  33          2HB       CYS  33  -5.907  -4.475   7.570
  246    HG   CYS  33           HG       CYS  33  -4.208  -6.454   7.873
  247    H    LYS  34           H        LYS  34  -7.236  -3.380  11.212
  248    HA   LYS  34           HA       LYS  34  -7.604  -0.981   9.681
  249   1HB   LYS  34          1HB       LYS  34  -9.279  -0.379  11.336
  250   2HB   LYS  34          2HB       LYS  34  -9.491  -2.052  10.847
  251   1HG   LYS  34          1HG       LYS  34  -9.774  -2.196  13.117
  252   2HG   LYS  34          2HG       LYS  34  -8.058  -2.567  12.960
  253   1HD   LYS  34          1HD       LYS  34  -7.477  -0.290  13.556
  254   2HD   LYS  34          2HD       LYS  34  -9.180   0.160  13.604
  255   1HE   LYS  34          1HE       LYS  34  -9.537  -1.408  15.447
  256   2HE   LYS  34          2HE       LYS  34  -7.834  -1.863  15.392
  257   1HZ   LYS  34          1HZ       LYS  34  -9.033   0.692  16.257
  258   2HZ   LYS  34          2HZ       LYS  34  -7.416   0.619  15.765
  259   3HZ   LYS  34          3HZ       LYS  34  -7.941  -0.302  17.083
  260    H    MET  35           H        MET  35  -5.701  -1.920  12.410
  261    HA   MET  35           HA       MET  35  -5.211   0.746  13.358
  262   1HB   MET  35          1HB       MET  35  -3.680  -1.818  13.849
  263   2HB   MET  35          2HB       MET  35  -3.448  -0.310  14.724
  264   1HG   MET  35          1HG       MET  35  -5.730  -0.446  15.573
  265   2HG   MET  35          2HG       MET  35  -5.968  -1.954  14.693
  266   1HE   MET  35          1HE       MET  35  -2.776  -3.609  15.835
  267   2HE   MET  35          2HE       MET  35  -4.148  -3.658  14.728
  268   3HE   MET  35          3HE       MET  35  -4.196  -4.576  16.234
  269    H    ILE  36           H        ILE  36  -4.432  -0.673  10.551
  270    HA   ILE  36           HA       ILE  36  -1.672   0.028  10.272
  271    HB   ILE  36           HB       ILE  36  -3.697  -0.626   8.139
  272   1HG1  ILE  36          1HG1      ILE  36  -3.603  -2.341   9.915
  273   2HG1  ILE  36          2HG1      ILE  36  -2.999  -2.938   8.377
  274   1HG2  ILE  36          1HG2      ILE  36  -0.911   0.042   8.094
  275   2HG2  ILE  36          2HG2      ILE  36  -2.021  -0.244   6.755
  276   3HG2  ILE  36          3HG2      ILE  36  -1.159  -1.595   7.486
  277   1HD1  ILE  36          1HD1      ILE  36  -1.754  -3.056  10.859
  278   2HD1  ILE  36          2HD1      ILE  36  -0.861  -1.840   9.944
  279   3HD1  ILE  36          3HD1      ILE  36  -1.056  -3.468   9.294
  280    H    ALA  37           H        ALA  37  -4.759   1.369   9.130
  281    HA   ALA  37           HA       ALA  37  -4.002   3.328   7.420
  282   1HB   ALA  37          1HB       ALA  37  -6.015   4.395   7.841
  283   2HB   ALA  37          2HB       ALA  37  -5.976   4.015   9.563
  284   3HB   ALA  37          3HB       ALA  37  -6.333   2.749   8.388
  285    HA   PRO  38           HA       PRO  38  -2.821   6.355  10.948
  286   1HB   PRO  38          1HB       PRO  38  -2.319   5.327  13.412
  287   2HB   PRO  38          2HB       PRO  38  -3.915   5.907  12.916
  288   1HG   PRO  38          1HG       PRO  38  -2.895   3.124  13.151
  289   2HG   PRO  38          2HG       PRO  38  -4.519   3.759  13.460
  290   1HD   PRO  38          1HD       PRO  38  -3.750   2.399  11.186
  291   2HD   PRO  38          2HD       PRO  38  -5.154   3.461  11.289
  292    H    MET  39           H        MET  39  -1.498   3.107  10.914
  293    HA   MET  39           HA       MET  39   1.174   3.907  11.612
  294   1HB   MET  39          1HB       MET  39   0.238   1.582  11.915
  295   2HB   MET  39          2HB       MET  39   0.285   1.398  10.167
  296   1HG   MET  39          1HG       MET  39   2.203   0.339  11.139
  297   2HG   MET  39          2HG       MET  39   2.719   1.753  10.221
  298   1HE   MET  39          1HE       MET  39   4.768   0.915  11.395
  299   2HE   MET  39          2HE       MET  39   4.673   0.408  13.081
  300   3HE   MET  39          3HE       MET  39   5.412   1.954  12.665
  301    H    ILE  40           H        ILE  40  -0.496   2.989   8.620
  302    HA   ILE  40           HA       ILE  40   1.531   3.318   6.769
  303    HB   ILE  40           HB       ILE  40  -1.404   4.028   6.467
  304   1HG1  ILE  40          1HG1      ILE  40   0.093   1.483   5.805
  305   2HG1  ILE  40          2HG1      ILE  40  -1.055   1.701   7.121
  306   1HG2  ILE  40          1HG2      ILE  40   0.785   3.695   4.432
  307   2HG2  ILE  40          2HG2      ILE  40  -0.296   5.069   4.666
  308   3HG2  ILE  40          3HG2      ILE  40  -0.924   3.552   4.019
  309   1HD1  ILE  40          1HD1      ILE  40  -1.626   0.762   4.599
  310   2HD1  ILE  40          2HD1      ILE  40  -2.179   2.434   4.552
  311   3HD1  ILE  40          3HD1      ILE  40  -2.800   1.336   5.784
  312    H    GLU  41           H        GLU  41  -0.396   5.714   8.431
  313    HA   GLU  41           HA       GLU  41   0.368   7.937   6.823
  314   1HB   GLU  41          1HB       GLU  41  -1.682   7.963   8.134
  315   2HB   GLU  41          2HB       GLU  41  -0.763   7.793   9.624
  316   1HG   GLU  41          1HG       GLU  41   0.262   9.981   9.234
  317   2HG   GLU  41          2HG       GLU  41  -0.666  10.147   7.745
  318    H    LYS  42           H        LYS  42   1.549   6.533   9.833
  319    HA   LYS  42           HA       LYS  42   3.317   8.541  10.600
  320   1HB   LYS  42          1HB       LYS  42   3.406   5.554  11.024
  321   2HB   LYS  42          2HB       LYS  42   4.542   6.670  11.776
  322   1HG   LYS  42          1HG       LYS  42   2.756   7.768  12.954
  323   2HG   LYS  42          2HG       LYS  42   1.555   6.791  12.111
  324   1HD   LYS  42          1HD       LYS  42   1.879   5.904  14.325
  325   2HD   LYS  42          2HD       LYS  42   2.536   4.767  13.150
  326   1HE   LYS  42          1HE       LYS  42   4.214   6.802  14.602
  327   2HE   LYS  42          2HE       LYS  42   3.942   5.170  15.207
  328   1HZ   LYS  42          1HZ       LYS  42   4.742   4.813  12.617
  329   2HZ   LYS  42          2HZ       LYS  42   5.695   4.596  13.997
  330   3HZ   LYS  42          3HZ       LYS  42   5.729   6.073  13.173
  331    H    PHE  43           H        PHE  43   3.575   6.235   8.028
  332    HA   PHE  43           HA       PHE  43   6.442   6.634   7.758
  333   1HB   PHE  43          1HB       PHE  43   4.479   4.959   6.185
  334   2HB   PHE  43          2HB       PHE  43   6.200   5.066   5.813
  335    HD1  PHE  43           HD1      PHE  43   4.034   4.462   8.780
  336    HD2  PHE  43           HD2      PHE  43   7.515   3.363   6.598
  337    HE1  PHE  43           HE1      PHE  43   4.478   2.669  10.403
  338    HE2  PHE  43           HE2      PHE  43   7.967   1.564   8.215
  339    HZ   PHE  43           HZ       PHE  43   6.446   1.214  10.122
  340    H    SER  44           H        SER  44   3.572   8.041   6.567
  341    HA   SER  44           HA       SER  44   4.576   8.888   4.033
  342   1HB   SER  44          1HB       SER  44   2.172   8.720   4.426
  343   2HB   SER  44          2HB       SER  44   2.275   9.960   5.687
  344    HG   SER  44           HG       SER  44   2.542  11.482   4.195
  345    H    GLU  45           H        GLU  45   5.376   9.827   7.141
  346    HA   GLU  45           HA       GLU  45   5.856  12.621   6.482
  347   1HB   GLU  45          1HB       GLU  45   5.018  12.070   8.714
  348   2HB   GLU  45          2HB       GLU  45   6.424  11.055   9.005
  349   1HG   GLU  45          1HG       GLU  45   7.873  13.015   8.852
  350   2HG   GLU  45          2HG       GLU  45   6.462  14.032   8.561
  351    H    GLN  46           H        GLN  46   7.572   9.611   6.686
  352    HA   GLN  46           HA       GLN  46  10.174  10.906   6.622
  353   1HB   GLN  46          1HB       GLN  46   9.402   7.986   6.581
  354   2HB   GLN  46          2HB       GLN  46  11.053   8.588   6.644
  355   1HG   GLN  46          1HG       GLN  46  10.586   9.658   8.782
  356   2HG   GLN  46          2HG       GLN  46   8.928   9.065   8.717
  357   1HE2  GLN  46          1HE2      GLN  46   8.593   7.368   9.938
  358   2HE2  GLN  46          2HE2      GLN  46   9.746   6.110  10.295
  359    H    TYR  47           H        TYR  47   7.953   9.303   4.450
  360    HA   TYR  47           HA       TYR  47   9.852   9.806   2.252
  361   1HB   TYR  47          1HB       TYR  47   7.885   7.519   2.449
  362   2HB   TYR  47          2HB       TYR  47   9.004   7.816   1.121
  363    HD1  TYR  47           HD1      TYR  47  11.468   7.583   1.518
  364    HD2  TYR  47           HD2      TYR  47   8.584   6.436   4.420
  365    HE1  TYR  47           HE1      TYR  47  13.179   6.249   2.675
  366    HE2  TYR  47           HE2      TYR  47  10.284   5.079   5.582
  367    HH   TYR  47           HH       TYR  47  12.410   3.989   5.109
  368    HA   PRO  48           HA       PRO  48   5.630  12.072   2.030
  369   1HB   PRO  48          1HB       PRO  48   7.119  14.342   1.162
  370   2HB   PRO  48          2HB       PRO  48   6.229  14.145   2.669
  371   1HG   PRO  48          1HG       PRO  48   9.113  13.886   2.146
  372   2HG   PRO  48          2HG       PRO  48   8.271  14.227   3.664
  373   1HD   PRO  48          1HD       PRO  48   9.474  11.849   3.128
  374   2HD   PRO  48          2HD       PRO  48   8.051  11.988   4.184
  375    H    GLN  49           H        GLN  49   8.429  11.663  -0.003
  376    HA   GLN  49           HA       GLN  49   7.233  12.576  -2.420
  377   1HB   GLN  49          1HB       GLN  49   9.545  10.669  -2.003
  378   2HB   GLN  49          2HB       GLN  49   9.097  11.385  -3.548
  379   1HG   GLN  49          1HG       GLN  49   9.557  13.609  -2.646
  380   2HG   GLN  49          2HG       GLN  49  10.004  12.891  -1.100
  381   1HE2  GLN  49          1HE2      GLN  49  12.099  12.765  -0.811
  382   2HE2  GLN  49          2HE2      GLN  49  13.291  12.509  -2.034
  383    H    ALA  50           H        ALA  50   7.218   9.573  -0.672
  384    HA   ALA  50           HA       ALA  50   6.032   8.109  -2.884
  385   1HB   ALA  50          1HB       ALA  50   5.892   6.374  -0.850
  386   2HB   ALA  50          2HB       ALA  50   7.177   7.421  -0.245
  387   3HB   ALA  50          3HB       ALA  50   7.354   6.617  -1.806
  388    H    ASP  51           H        ASP  51   3.919   7.503  -3.025
  389    HA   ASP  51           HA       ASP  51   2.063   8.889  -1.265
  390   1HB   ASP  51          1HB       ASP  51   1.558   7.253  -3.762
  391   2HB   ASP  51          2HB       ASP  51   0.340   8.170  -2.880
  392    H    PHE  52           H        PHE  52   1.170   7.945   0.426
  393    HA   PHE  52           HA       PHE  52   1.319   5.034   0.644
  394   1HB   PHE  52          1HB       PHE  52   0.852   7.173   2.725
  395   2HB   PHE  52          2HB       PHE  52   0.817   5.436   3.060
  396    HD1  PHE  52           HD1      PHE  52   3.044   7.897   1.350
  397    HD2  PHE  52           HD2      PHE  52   2.724   4.531   3.930
  398    HE1  PHE  52           HE1      PHE  52   5.486   7.906   1.658
  399    HE2  PHE  52           HE2      PHE  52   5.162   4.531   4.242
  400    HZ   PHE  52           HZ       PHE  52   6.548   6.221   3.108
  401    H    TYR  53           H        TYR  53  -0.444   4.645  -0.777
  402    HA   TYR  53           HA       TYR  53  -3.089   5.458   0.156
  403   1HB   TYR  53          1HB       TYR  53  -2.076   4.180  -2.374
  404   2HB   TYR  53          2HB       TYR  53  -3.792   4.201  -1.985
  405    HD1  TYR  53           HD1      TYR  53  -4.761   6.571  -1.375
  406    HD2  TYR  53           HD2      TYR  53  -1.196   5.932  -3.606
  407    HE1  TYR  53           HE1      TYR  53  -4.967   8.822  -2.338
  408    HE2  TYR  53           HE2      TYR  53  -1.388   8.186  -4.571
  409    HH   TYR  53           HH       TYR  53  -2.868  10.537  -3.475
  410    H    LYS  54           H        LYS  54  -4.718   3.449  -0.457
  411    HA   LYS  54           HA       LYS  54  -3.681   0.972   0.650
  412   1HB   LYS  54          1HB       LYS  54  -5.978   2.445   1.949
  413   2HB   LYS  54          2HB       LYS  54  -5.382   0.853   2.399
  414   1HG   LYS  54          1HG       LYS  54  -3.274   1.785   3.099
  415   2HG   LYS  54          2HG       LYS  54  -3.758   3.383   2.537
  416   1HD   LYS  54          1HD       LYS  54  -5.085   1.821   4.752
  417   2HD   LYS  54          2HD       LYS  54  -3.977   3.175   4.966
  418   1HE   LYS  54          1HE       LYS  54  -5.538   4.636   3.770
  419   2HE   LYS  54          2HE       LYS  54  -6.643   3.281   3.565
  420   1HZ   LYS  54          1HZ       LYS  54  -6.329   3.228   6.191
  421   2HZ   LYS  54          2HZ       LYS  54  -7.531   4.141   5.432
  422   3HZ   LYS  54          3HZ       LYS  54  -6.093   4.882   5.927
  423    H    LEU  55           H        LEU  55  -4.730  -0.805  -0.079
  424    HA   LEU  55           HA       LEU  55  -6.834  -0.341  -2.055
  425   1HB   LEU  55          1HB       LEU  55  -4.681  -1.595  -2.576
  426   2HB   LEU  55          2HB       LEU  55  -5.303  -2.886  -1.568
  427    HG   LEU  55           HG       LEU  55  -5.647  -3.284  -3.985
  428   1HD1  LEU  55          1HD1      LEU  55  -8.413  -2.985  -3.080
  429   2HD1  LEU  55          2HD1      LEU  55  -7.355  -3.809  -1.937
  430   3HD1  LEU  55          3HD1      LEU  55  -7.529  -4.425  -3.579
  431   1HD2  LEU  55          1HD2      LEU  55  -6.207  -0.671  -4.195
  432   2HD2  LEU  55          2HD2      LEU  55  -7.845  -1.319  -4.107
  433   3HD2  LEU  55          3HD2      LEU  55  -6.744  -1.875  -5.366
  434    H    ASP  56           H        ASP  56  -8.809  -1.321  -2.008
  435    HA   ASP  56           HA       ASP  56  -9.645  -2.370   0.582
  436   1HB   ASP  56          1HB       ASP  56 -10.945  -0.550  -0.562
  437   2HB   ASP  56          2HB       ASP  56 -11.343  -1.702  -1.835
  438    H    VAL  57           H        VAL  57  -9.936  -4.481   0.947
  439    HA   VAL  57           HA       VAL  57  -9.823  -6.328  -1.314
  440    HB   VAL  57           HB       VAL  57  -9.637  -6.835   1.667
  441   1HG1  VAL  57          1HG1      VAL  57  -9.942  -8.682  -0.627
  442   2HG1  VAL  57          2HG1      VAL  57 -10.367  -8.902   1.071
  443   3HG1  VAL  57          3HG1      VAL  57  -8.694  -9.102   0.550
  444   1HG2  VAL  57          1HG2      VAL  57  -7.720  -5.682   0.514
  445   2HG2  VAL  57          2HG2      VAL  57  -7.521  -7.137  -0.464
  446   3HG2  VAL  57          3HG2      VAL  57  -7.314  -7.215   1.287
  447    H    ASP  58           H        ASP  58 -12.152  -4.886  -1.203
  448    HA   ASP  58           HA       ASP  58 -14.104  -7.003  -0.939
  449   1HB   ASP  58          1HB       ASP  58 -14.176  -5.971   1.283
  450   2HB   ASP  58          2HB       ASP  58 -14.430  -4.392   0.559
  451    H    GLU  59           H        GLU  59 -13.589  -3.551  -1.511
  452    HA   GLU  59           HA       GLU  59 -15.767  -3.313  -3.346
  453   1HB   GLU  59          1HB       GLU  59 -15.036  -1.416  -1.992
  454   2HB   GLU  59          2HB       GLU  59 -13.452  -1.451  -2.762
  455   1HG   GLU  59          1HG       GLU  59 -14.767   0.316  -3.710
  456   2HG   GLU  59          2HG       GLU  59 -14.533  -0.946  -4.918
  457    H    LEU  60           H        LEU  60 -12.388  -4.078  -3.596
  458    HA   LEU  60           HA       LEU  60 -12.515  -3.875  -6.512
  459   1HB   LEU  60          1HB       LEU  60 -10.173  -4.142  -4.669
  460   2HB   LEU  60          2HB       LEU  60 -10.037  -4.206  -6.402
  461    HG   LEU  60           HG       LEU  60  -9.406  -2.024  -5.538
  462   1HD1  LEU  60          1HD1      LEU  60 -10.919  -2.571  -7.651
  463   2HD1  LEU  60          2HD1      LEU  60 -10.362  -0.944  -7.259
  464   3HD1  LEU  60          3HD1      LEU  60 -11.990  -1.455  -6.813
  465   1HD2  LEU  60          1HD2      LEU  60 -11.305  -2.358  -3.655
  466   2HD2  LEU  60          2HD2      LEU  60 -12.167  -1.311  -4.783
  467   3HD2  LEU  60          3HD2      LEU  60 -10.629  -0.790  -4.095
  468    H    GLY  61           H        GLY  61 -11.014  -6.002  -4.174
  469   1HA   GLY  61          1HA       GLY  61 -10.940  -8.302  -4.016
  470   2HA   GLY  61          2HA       GLY  61 -12.304  -8.353  -5.122
  471    H    ASP  62           H        ASP  62 -11.568  -7.591  -7.456
  472    HA   ASP  62           HA       ASP  62 -10.055  -9.586  -8.565
  473   1HB   ASP  62          1HB       ASP  62 -10.460  -6.822  -9.625
  474   2HB   ASP  62          2HB       ASP  62  -9.916  -8.190 -10.577
  475    H    VAL  63           H        VAL  63  -8.958  -6.455  -7.385
  476    HA   VAL  63           HA       VAL  63  -6.322  -6.680  -8.440
  477    HB   VAL  63           HB       VAL  63  -7.081  -5.022  -6.036
  478   1HG1  VAL  63          1HG1      VAL  63  -4.669  -5.385  -7.211
  479   2HG1  VAL  63          2HG1      VAL  63  -5.144  -3.924  -6.345
  480   3HG1  VAL  63          3HG1      VAL  63  -5.269  -3.987  -8.102
  481   1HG2  VAL  63          1HG2      VAL  63  -8.340  -3.631  -7.245
  482   2HG2  VAL  63          2HG2      VAL  63  -8.389  -4.891  -8.477
  483   3HG2  VAL  63          3HG2      VAL  63  -7.178  -3.611  -8.571
  484    H    ALA  64           H        ALA  64  -7.522  -6.982  -5.069
  485    HA   ALA  64           HA       ALA  64  -5.173  -7.915  -3.890
  486   1HB   ALA  64          1HB       ALA  64  -6.704  -9.033  -2.240
  487   2HB   ALA  64          2HB       ALA  64  -8.056  -8.528  -3.252
  488   3HB   ALA  64          3HB       ALA  64  -7.016  -7.318  -2.503
  489    H    GLN  65           H        GLN  65  -7.388  -9.497  -6.034
  490    HA   GLN  65           HA       GLN  65  -6.329 -12.144  -5.474
  491   1HB   GLN  65          1HB       GLN  65  -8.728 -11.904  -5.892
  492   2HB   GLN  65          2HB       GLN  65  -8.396 -11.221  -7.477
  493   1HG   GLN  65          1HG       GLN  65  -7.382 -13.332  -8.174
  494   2HG   GLN  65          2HG       GLN  65  -7.725 -14.017  -6.585
  495   1HE2  GLN  65          1HE2      GLN  65  -9.428 -15.277  -6.563
  496   2HE2  GLN  65          2HE2      GLN  65 -10.844 -15.105  -7.537
  497    H    LYS  66           H        LYS  66  -6.209  -9.686  -8.027
  498    HA   LYS  66           HA       LYS  66  -4.924 -11.252  -9.972
  499   1HB   LYS  66          1HB       LYS  66  -4.550  -9.289 -11.167
  500   2HB   LYS  66          2HB       LYS  66  -5.951  -8.879 -10.191
  501   1HG   LYS  66          1HG       LYS  66  -4.551  -7.658  -8.641
  502   2HG   LYS  66          2HG       LYS  66  -3.109  -8.128  -9.539
  503   1HD   LYS  66          1HD       LYS  66  -3.997  -6.948 -11.516
  504   2HD   LYS  66          2HD       LYS  66  -5.385  -6.430 -10.559
  505   1HE   LYS  66          1HE       LYS  66  -3.777  -4.640 -10.652
  506   2HE   LYS  66          2HE       LYS  66  -3.836  -5.280  -9.012
  507   1HZ   LYS  66          1HZ       LYS  66  -1.863  -6.700  -9.755
  508   2HZ   LYS  66          2HZ       LYS  66  -1.585  -5.061  -9.450
  509   3HZ   LYS  66          3HZ       LYS  66  -1.722  -5.612 -11.042
  510    H    ASN  67           H        ASN  67  -3.583  -9.111  -7.473
  511    HA   ASN  67           HA       ASN  67  -0.876  -9.798  -8.074
  512   1HB   ASN  67          1HB       ASN  67  -2.150  -8.358  -5.736
  513   2HB   ASN  67          2HB       ASN  67  -0.415  -8.505  -6.001
  514   1HD2  ASN  67          1HD2      ASN  67  -2.933  -6.491  -6.321
  515   2HD2  ASN  67          2HD2      ASN  67  -2.371  -5.504  -7.644
  516    H    GLU  68           H        GLU  68  -3.364 -11.401  -6.528
  517    HA   GLU  68           HA       GLU  68  -3.484 -13.303  -5.307
  518   1HB   GLU  68          1HB       GLU  68  -0.494 -13.425  -5.743
  519   2HB   GLU  68          2HB       GLU  68  -1.494 -14.739  -5.140
  520   1HG   GLU  68          1HG       GLU  68  -2.715 -14.788  -7.250
  521   2HG   GLU  68          2HG       GLU  68  -1.723 -13.463  -7.856
  522    H    VAL  69           H        VAL  69  -3.439 -10.915  -3.902
  523    HA   VAL  69           HA       VAL  69  -1.749 -11.526  -1.570
  524    HB   VAL  69           HB       VAL  69  -3.157  -8.935  -2.225
  525   1HG1  VAL  69          1HG1      VAL  69  -1.169  -9.641  -0.062
  526   2HG1  VAL  69          2HG1      VAL  69  -2.875  -9.249   0.162
  527   3HG1  VAL  69          3HG1      VAL  69  -1.758  -8.015  -0.418
  528   1HG2  VAL  69          1HG2      VAL  69  -0.213  -9.072  -2.205
  529   2HG2  VAL  69          2HG2      VAL  69  -1.303  -8.176  -3.263
  530   3HG2  VAL  69          3HG2      VAL  69  -1.011  -9.891  -3.548
  531    H    SER  70           H        SER  70  -3.350 -13.232  -1.061
  532    HA   SER  70           HA       SER  70  -5.958 -12.358  -0.170
  533   1HB   SER  70          1HB       SER  70  -6.325 -14.710   0.419
  534   2HB   SER  70          2HB       SER  70  -5.690 -14.568  -1.229
  535    HG   SER  70           HG       SER  70  -4.142 -15.150   1.083
  536    H    ALA  71           H        ALA  71  -2.859 -12.433   1.151
  537    HA   ALA  71           HA       ALA  71  -3.289 -13.182   3.804
  538   1HB   ALA  71          1HB       ALA  71  -1.129 -12.402   2.408
  539   2HB   ALA  71          2HB       ALA  71  -1.173 -12.475   4.169
  540   3HB   ALA  71          3HB       ALA  71  -1.429 -10.938   3.342
  541    H    MET  72           H        MET  72  -2.532 -10.958   5.359
  542    HA   MET  72           HA       MET  72  -4.106  -8.692   4.966
  543   1HB   MET  72          1HB       MET  72  -5.950  -9.052   6.506
  544   2HB   MET  72          2HB       MET  72  -6.000 -10.189   5.173
  545   1HG   MET  72          1HG       MET  72  -4.916 -10.838   7.893
  546   2HG   MET  72          2HG       MET  72  -6.572 -11.140   7.394
  547   1HE   MET  72          1HE       MET  72  -3.149 -13.520   7.503
  548   2HE   MET  72          2HE       MET  72  -3.037 -11.774   7.278
  549   3HE   MET  72          3HE       MET  72  -2.723 -12.860   5.924
  550    HA   PRO  73           HA       PRO  73  -3.510  -7.009   5.095
  551   1HB   PRO  73          1HB       PRO  73  -1.935  -4.940   5.533
  552   2HB   PRO  73          2HB       PRO  73  -3.353  -5.208   6.568
  553   1HG   PRO  73          1HG       PRO  73  -0.476  -5.822   7.097
  554   2HG   PRO  73          2HG       PRO  73  -1.687  -5.123   8.183
  555   1HD   PRO  73          1HD       PRO  73  -0.945  -7.806   8.118
  556   2HD   PRO  73          2HD       PRO  73  -2.447  -7.171   8.823
  557    H    THR  74           H        THR  74  -1.673  -5.584   3.725
  558    HA   THR  74           HA       THR  74   0.748  -7.120   3.341
  559    HB   THR  74           HB       THR  74  -1.343  -6.918   1.167
  560    HG1  THR  74           HG1      THR  74  -0.265  -9.363   1.725
  561   1HG2  THR  74          1HG2      THR  74   0.297  -8.334  -0.140
  562   2HG2  THR  74          2HG2      THR  74   1.515  -7.823   1.022
  563   3HG2  THR  74          3HG2      THR  74   0.690  -6.625   0.027
  564    H    LEU  75           H        LEU  75   2.177  -6.109   1.684
  565    HA   LEU  75           HA       LEU  75   1.598  -3.244   1.338
  566   1HB   LEU  75          1HB       LEU  75   4.252  -4.468   2.094
  567   2HB   LEU  75          2HB       LEU  75   3.976  -2.772   1.752
  568    HG   LEU  75           HG       LEU  75   2.840  -4.331   4.074
  569   1HD1  LEU  75          1HD1      LEU  75   4.229  -2.266   5.113
  570   2HD1  LEU  75          2HD1      LEU  75   5.192  -2.622   3.679
  571   3HD1  LEU  75          3HD1      LEU  75   4.887  -3.883   4.871
  572   1HD2  LEU  75          1HD2      LEU  75   1.164  -2.814   3.750
  573   2HD2  LEU  75          2HD2      LEU  75   2.221  -1.647   2.958
  574   3HD2  LEU  75          3HD2      LEU  75   2.269  -1.833   4.712
  575    H    LEU  76           H        LEU  76   1.605  -2.678  -0.729
  576    HA   LEU  76           HA       LEU  76   3.314  -4.190  -2.593
  577   1HB   LEU  76          1HB       LEU  76   0.587  -2.982  -3.050
  578   2HB   LEU  76          2HB       LEU  76   1.618  -3.563  -4.354
  579    HG   LEU  76           HG       LEU  76   0.275  -5.162  -2.186
  580   1HD1  LEU  76          1HD1      LEU  76  -1.157  -5.760  -3.770
  581   2HD1  LEU  76          2HD1      LEU  76   0.142  -6.153  -4.896
  582   3HD1  LEU  76          3HD1      LEU  76  -0.455  -4.498  -4.780
  583   1HD2  LEU  76          1HD2      LEU  76   2.721  -5.784  -3.732
  584   2HD2  LEU  76          2HD2      LEU  76   1.515  -7.063  -3.596
  585   3HD2  LEU  76          3HD2      LEU  76   2.209  -6.347  -2.142
  586    H    LEU  77           H        LEU  77   4.851  -3.059  -3.559
  587    HA   LEU  77           HA       LEU  77   4.635  -0.125  -3.561
  588   1HB   LEU  77          1HB       LEU  77   7.079  -1.893  -3.617
  589   2HB   LEU  77          2HB       LEU  77   7.117  -0.146  -3.744
  590    HG   LEU  77           HG       LEU  77   6.101   0.006  -1.481
  591   1HD1  LEU  77          1HD1      LEU  77   6.459  -2.249  -0.172
  592   2HD1  LEU  77          2HD1      LEU  77   6.162  -2.953  -1.761
  593   3HD1  LEU  77          3HD1      LEU  77   4.950  -1.910  -1.017
  594   1HD2  LEU  77          1HD2      LEU  77   8.110  -0.330  -0.330
  595   2HD2  LEU  77          2HD2      LEU  77   8.604  -0.027  -1.996
  596   3HD2  LEU  77          3HD2      LEU  77   8.584  -1.675  -1.368
  597    H    PHE  78           H        PHE  78   4.775   0.997  -5.412
  598    HA   PHE  78           HA       PHE  78   5.518  -0.406  -7.890
  599   1HB   PHE  78          1HB       PHE  78   3.129   1.434  -7.644
  600   2HB   PHE  78          2HB       PHE  78   3.604   0.493  -9.051
  601    HD1  PHE  78           HD1      PHE  78   3.691  -2.110  -8.670
  602    HD2  PHE  78           HD2      PHE  78   1.503   0.623  -6.251
  603    HE1  PHE  78           HE1      PHE  78   2.237  -3.947  -7.911
  604    HE2  PHE  78           HE2      PHE  78   0.052  -1.211  -5.488
  605    HZ   PHE  78           HZ       PHE  78   0.409  -3.490  -6.319
  606    H    LYS  79           H        LYS  79   6.922   0.784  -9.128
  607    HA   LYS  79           HA       LYS  79   7.117   3.672  -8.507
  608   1HB   LYS  79          1HB       LYS  79   9.239   1.672  -9.248
  609   2HB   LYS  79          2HB       LYS  79   9.489   3.398  -9.472
  610   1HG   LYS  79          1HG       LYS  79   9.282   3.814  -7.140
  611   2HG   LYS  79          2HG       LYS  79   8.741   2.166  -6.833
  612   1HD   LYS  79          1HD       LYS  79  11.051   2.386  -6.174
  613   2HD   LYS  79          2HD       LYS  79  10.949   1.342  -7.592
  614   1HE   LYS  79          1HE       LYS  79  11.572   4.286  -7.734
  615   2HE   LYS  79          2HE       LYS  79  12.810   3.037  -7.616
  616   1HZ   LYS  79          1HZ       LYS  79  11.231   2.209  -9.677
  617   2HZ   LYS  79          2HZ       LYS  79  12.726   2.986  -9.822
  618   3HZ   LYS  79          3HZ       LYS  79  11.295   3.887  -9.889
  619    H    ASN  80           H        ASN  80   6.580   5.051 -10.096
  620    HA   ASN  80           HA       ASN  80   5.799   5.731 -12.138
  621   1HB   ASN  80          1HB       ASN  80   8.383   4.377 -12.921
  622   2HB   ASN  80          2HB       ASN  80   7.470   5.450 -13.975
  623   1HD2  ASN  80          1HD2      ASN  80   8.166   7.445 -14.019
  624   2HD2  ASN  80          2HD2      ASN  80   8.982   8.275 -12.742
  625    H    GLY  81           H        GLY  81   3.940   4.371 -12.155
  626   1HA   GLY  81          1HA       GLY  81   2.626   2.581 -12.808
  627   2HA   GLY  81          2HA       GLY  81   3.179   3.149 -14.383
  628    H    LYS  82           H        LYS  82   4.850   1.372 -11.797
  629    HA   LYS  82           HA       LYS  82   4.975  -1.008 -13.460
  630   1HB   LYS  82          1HB       LYS  82   7.426   0.501 -12.542
  631   2HB   LYS  82          2HB       LYS  82   7.468  -1.146 -13.143
  632   1HG   LYS  82          1HG       LYS  82   6.491   1.222 -14.715
  633   2HG   LYS  82          2HG       LYS  82   8.100   0.511 -14.842
  634   1HD   LYS  82          1HD       LYS  82   7.102  -1.610 -15.543
  635   2HD   LYS  82          2HD       LYS  82   5.492  -0.900 -15.406
  636   1HE   LYS  82          1HE       LYS  82   6.249  -0.927 -17.726
  637   2HE   LYS  82          2HE       LYS  82   6.052   0.724 -17.138
  638   1HZ   LYS  82          1HZ       LYS  82   8.347   1.024 -17.002
  639   2HZ   LYS  82          2HZ       LYS  82   8.137   0.193 -18.460
  640   3HZ   LYS  82          3HZ       LYS  82   8.678  -0.633 -17.087
  641    H    GLU  83           H        GLU  83   6.988  -2.261 -11.853
  642    HA   GLU  83           HA       GLU  83   5.467  -2.564  -9.359
  643   1HB   GLU  83          1HB       GLU  83   5.568  -4.545 -10.845
  644   2HB   GLU  83          2HB       GLU  83   7.321  -4.512 -10.755
  645   1HG   GLU  83          1HG       GLU  83   7.280  -5.078  -8.436
  646   2HG   GLU  83          2HG       GLU  83   5.525  -4.898  -8.371
  647    H    VAL  84           H        VAL  84   6.981  -3.469  -7.534
  648    HA   VAL  84           HA       VAL  84   9.613  -2.245  -7.591
  649    HB   VAL  84           HB       VAL  84   7.635  -1.622  -5.483
  650   1HG1  VAL  84          1HG1      VAL  84   9.941  -1.842  -4.650
  651   2HG1  VAL  84          2HG1      VAL  84   9.322  -0.197  -4.508
  652   3HG1  VAL  84          3HG1      VAL  84  10.441  -0.608  -5.807
  653   1HG2  VAL  84          1HG2      VAL  84   7.504   0.569  -6.317
  654   2HG2  VAL  84          2HG2      VAL  84   7.360  -0.478  -7.722
  655   3HG2  VAL  84          3HG2      VAL  84   8.890   0.321  -7.375
  656    H    ALA  85           H        ALA  85   7.468  -3.571  -5.093
  657    HA   ALA  85           HA       ALA  85   8.859  -6.036  -4.894
  658   1HB   ALA  85          1HB       ALA  85   9.426  -4.131  -2.632
  659   2HB   ALA  85          2HB       ALA  85  10.557  -4.456  -3.946
  660   3HB   ALA  85          3HB       ALA  85  10.066  -5.758  -2.864
  661    H    LYS  86           H        LYS  86   8.020  -7.418  -3.238
  662    HA   LYS  86           HA       LYS  86   5.420  -6.503  -2.202
  663   1HB   LYS  86          1HB       LYS  86   6.340  -9.211  -3.138
  664   2HB   LYS  86          2HB       LYS  86   4.907  -9.009  -2.139
  665   1HG   LYS  86          1HG       LYS  86   3.920  -7.569  -3.819
  666   2HG   LYS  86          2HG       LYS  86   5.361  -7.737  -4.823
  667   1HD   LYS  86          1HD       LYS  86   3.519  -9.978  -3.985
  668   2HD   LYS  86          2HD       LYS  86   3.559  -9.219  -5.578
  669   1HE   LYS  86          1HE       LYS  86   5.879  -9.960  -5.863
  670   2HE   LYS  86          2HE       LYS  86   5.824 -10.728  -4.277
  671   1HZ   LYS  86          1HZ       LYS  86   5.426 -12.409  -5.856
  672   2HZ   LYS  86          2HZ       LYS  86   4.301 -11.475  -6.705
  673   3HZ   LYS  86          3HZ       LYS  86   3.917 -12.069  -5.169
  674    H    VAL  87           H        VAL  87   4.935  -6.759  -0.088
  675    HA   VAL  87           HA       VAL  87   6.576  -8.418   1.597
  676    HB   VAL  87           HB       VAL  87   6.488  -5.438   2.105
  677   1HG1  VAL  87          1HG1      VAL  87   7.328  -5.790   4.157
  678   2HG1  VAL  87          2HG1      VAL  87   8.378  -7.096   3.609
  679   3HG1  VAL  87          3HG1      VAL  87   6.683  -7.420   3.969
  680   1HG2  VAL  87          1HG2      VAL  87   8.719  -7.221   1.144
  681   2HG2  VAL  87          2HG2      VAL  87   8.959  -5.584   1.754
  682   3HG2  VAL  87          3HG2      VAL  87   7.996  -5.850   0.301
  683    H    VAL  88           H        VAL  88   4.443  -9.400   1.760
  684    HA   VAL  88           HA       VAL  88   2.184  -8.102   2.768
  685    HB   VAL  88           HB       VAL  88   1.883 -10.259   1.807
  686   1HG1  VAL  88          1HG1      VAL  88   4.096 -11.000   3.620
  687   2HG1  VAL  88          2HG1      VAL  88   3.726 -11.560   1.990
  688   3HG1  VAL  88          3HG1      VAL  88   2.852 -12.225   3.368
  689   1HG2  VAL  88          1HG2      VAL  88   1.410 -10.365   4.787
  690   2HG2  VAL  88          2HG2      VAL  88   0.751 -11.523   3.635
  691   3HG2  VAL  88          3HG2      VAL  88   0.285  -9.825   3.540
  692    H    GLY  89           H        GLY  89   2.749  -6.723   4.433
  693   1HA   GLY  89          1HA       GLY  89   2.280  -7.031   6.942
  694   2HA   GLY  89          2HA       GLY  89   3.772  -7.962   6.900
  695    H    ALA  90           H        ALA  90   2.607  -5.090   7.796
  696    HA   ALA  90           HA       ALA  90   4.753  -3.416   6.775
  697   1HB   ALA  90          1HB       ALA  90   3.552  -1.779   8.471
  698   2HB   ALA  90          2HB       ALA  90   2.247  -2.954   8.301
  699   3HB   ALA  90          3HB       ALA  90   2.878  -2.125   6.879
  700    H    ASN  91           H        ASN  91   5.862  -5.453   8.168
  701    HA   ASN  91           HA       ASN  91   6.297  -5.151  10.890
  702   1HB   ASN  91          1HB       ASN  91   7.093  -7.070   9.553
  703   2HB   ASN  91          2HB       ASN  91   8.263  -6.031   8.755
  704   1HD2  ASN  91          1HD2      ASN  91   7.951  -5.201  12.012
  705   2HD2  ASN  91          2HD2      ASN  91   9.314  -6.061  12.613
  706    HA   PRO  92           HA       PRO  92   7.782  -0.867  11.044
  707   1HB   PRO  92          1HB       PRO  92   9.075  -2.257  13.376
  708   2HB   PRO  92          2HB       PRO  92   8.407  -0.621  13.284
  709   1HG   PRO  92          1HG       PRO  92   6.979  -2.626  14.324
  710   2HG   PRO  92          2HG       PRO  92   6.217  -1.363  13.340
  711   1HD   PRO  92          1HD       PRO  92   6.675  -4.196  12.704
  712   2HD   PRO  92          2HD       PRO  92   5.554  -3.044  11.960
  713    H    ALA  93           H        ALA  93   9.840  -3.741  11.258
  714    HA   ALA  93           HA       ALA  93  12.182  -2.169  10.502
  715   1HB   ALA  93          1HB       ALA  93  11.760  -4.871  11.660
  716   2HB   ALA  93          2HB       ALA  93  12.885  -3.597  12.135
  717   3HB   ALA  93          3HB       ALA  93  13.221  -4.585  10.714
  718    H    ALA  94           H        ALA  94   9.987  -2.616   8.591
  719    HA   ALA  94           HA       ALA  94  11.613  -3.586   6.412
  720   1HB   ALA  94          1HB       ALA  94   9.881  -5.157   5.587
  721   2HB   ALA  94          2HB       ALA  94   9.007  -4.929   7.102
  722   3HB   ALA  94          3HB       ALA  94  10.611  -5.660   7.112
  723    H    ILE  95           H        ILE  95   8.187  -2.778   7.086
  724    HA   ILE  95           HA       ILE  95   7.604  -1.665   4.629
  725    HB   ILE  95           HB       ILE  95   5.860  -2.048   6.226
  726   1HG1  ILE  95          1HG1      ILE  95   4.614   0.043   6.119
  727   2HG1  ILE  95          2HG1      ILE  95   6.096   0.940   5.803
  728   1HG2  ILE  95          1HG2      ILE  95   5.812  -0.162   8.138
  729   2HG2  ILE  95          2HG2      ILE  95   7.553  -0.376   7.959
  730   3HG2  ILE  95          3HG2      ILE  95   6.530  -1.757   8.356
  731   1HD1  ILE  95          1HD1      ILE  95   5.491   0.758   3.666
  732   2HD1  ILE  95          2HD1      ILE  95   4.385  -0.575   3.991
  733   3HD1  ILE  95          3HD1      ILE  95   6.108  -0.888   3.785
  734    H    LYS  96           H        LYS  96   9.879  -0.529   6.881
  735    HA   LYS  96           HA       LYS  96   9.637   2.253   6.022
  736   1HB   LYS  96          1HB       LYS  96  11.312   2.772   7.674
  737   2HB   LYS  96          2HB       LYS  96  10.101   1.733   8.409
  738   1HG   LYS  96          1HG       LYS  96  11.601  -0.190   8.134
  739   2HG   LYS  96          2HG       LYS  96  12.819   0.881   7.439
  740   1HD   LYS  96          1HD       LYS  96  12.808   2.187   9.544
  741   2HD   LYS  96          2HD       LYS  96  11.687   1.010  10.232
  742   1HE   LYS  96          1HE       LYS  96  13.354  -0.758   9.887
  743   2HE   LYS  96          2HE       LYS  96  14.473   0.433   9.227
  744   1HZ   LYS  96          1HZ       LYS  96  15.184   0.492  11.344
  745   2HZ   LYS  96          2HZ       LYS  96  13.726  -0.078  11.985
  746   3HZ   LYS  96          3HZ       LYS  96  13.884   1.553  11.563
  747    H    GLN  97           H        GLN  97  12.084  -0.334   5.992
  748    HA   GLN  97           HA       GLN  97  13.904   1.095   4.351
  749   1HB   GLN  97          1HB       GLN  97  13.692  -1.897   4.730
  750   2HB   GLN  97          2HB       GLN  97  15.110  -0.996   4.209
  751   1HG   GLN  97          1HG       GLN  97  13.802  -0.718   6.902
  752   2HG   GLN  97          2HG       GLN  97  15.202  -1.727   6.565
  753   1HE2  GLN  97          1HE2      GLN  97  17.034  -0.836   7.152
  754   2HE2  GLN  97          2HE2      GLN  97  17.408   0.851   7.131
  755    H    ALA  98           H        ALA  98  11.219  -1.060   3.750
  756    HA   ALA  98           HA       ALA  98  11.759  -1.685   1.062
  757   1HB   ALA  98          1HB       ALA  98   9.234  -1.607   2.680
  758   2HB   ALA  98          2HB       ALA  98  10.136  -3.008   2.101
  759   3HB   ALA  98          3HB       ALA  98   9.220  -2.018   0.964
  760    H    ILE  99           H        ILE  99  10.304   1.090   2.594
  761    HA   ILE  99           HA       ILE  99   9.474   2.242   0.056
  762    HB   ILE  99           HB       ILE  99   9.318   3.429   2.831
  763   1HG1  ILE  99          1HG1      ILE  99   7.217   1.967   1.216
  764   2HG1  ILE  99          2HG1      ILE  99   8.026   1.344   2.650
  765   1HG2  ILE  99          1HG2      ILE  99   8.757   4.469   0.193
  766   2HG2  ILE  99          2HG2      ILE  99   8.769   5.297   1.749
  767   3HG2  ILE  99          3HG2      ILE  99   7.310   4.474   1.201
  768   1HD1  ILE  99          1HD1      ILE  99   6.743   2.545   4.049
  769   2HD1  ILE  99          2HD1      ILE  99   5.631   2.552   2.682
  770   3HD1  ILE  99          3HD1      ILE  99   6.681   3.938   2.970
  771    H    ALA 100           H        ALA 100  12.301   2.121   1.852
  772    HA   ALA 100           HA       ALA 100  13.188   4.812   1.197
  773   1HB   ALA 100          1HB       ALA 100  13.702   3.418   3.360
  774   2HB   ALA 100          2HB       ALA 100  14.912   4.502   2.675
  775   3HB   ALA 100          3HB       ALA 100  15.009   2.769   2.371
  776    H    ALA 101           H        ALA 101  14.721   1.618   0.789
  777    HA   ALA 101           HA       ALA 101  16.501   2.358  -1.203
  778   1HB   ALA 101          1HB       ALA 101  15.388  -0.201  -0.231
  779   2HB   ALA 101          2HB       ALA 101  17.065   0.313  -0.415
  780   3HB   ALA 101          3HB       ALA 101  16.147  -0.223  -1.823
  781    H    ASN 102           H        ASN 102  13.110   1.561  -1.429
  782    HA   ASN 102           HA       ASN 102  13.123   1.243  -4.279
  783   1HB   ASN 102          1HB       ASN 102  10.908   1.509  -2.239
  784   2HB   ASN 102          2HB       ASN 102  10.642   1.222  -3.956
  785   1HD2  ASN 102          1HD2      ASN 102  13.422  -0.385  -3.287
  786   2HD2  ASN 102          2HD2      ASN 102  12.773  -1.933  -2.894
  787    H    ALA 103           H        ALA 103  11.825   3.676  -2.019
  788    HA   ALA 103           HA       ALA 103  10.927   5.482  -3.967
  789   1HB   ALA 103          1HB       ALA 103  10.264   5.550  -1.591
  790   2HB   ALA 103          2HB       ALA 103  10.819   7.114  -2.188
  791   3HB   ALA 103          3HB       ALA 103  11.879   6.130  -1.180
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -0.245  13.769   3.230
    2   2H    MET   1          2H        MET   1   0.032  12.363   2.285
    3   3H    MET   1          3H        MET   1   0.517  12.403   3.931
    4    HA   MET   1           HA       MET   1  -1.627  12.336   4.705
    5   1HB   MET   1          1HB       MET   1  -3.562  12.617   3.211
    6   2HB   MET   1          2HB       MET   1  -2.514  14.027   3.172
    7   1HG   MET   1          1HG       MET   1  -1.542  13.252   1.074
    8   2HG   MET   1          2HG       MET   1  -2.586  11.834   1.113
    9   1HE   MET   1          1HE       MET   1  -2.345  13.596  -1.331
   10   2HE   MET   1          2HE       MET   1  -3.962  14.113  -1.810
   11   3HE   MET   1          3HE       MET   1  -3.663  12.426  -1.390
   12    H    VAL   2           H        VAL   2  -3.538  10.704   3.907
   13    HA   VAL   2           HA       VAL   2  -2.492   8.462   2.404
   14    HB   VAL   2           HB       VAL   2  -3.148   8.128   5.336
   15   1HG1  VAL   2          1HG1      VAL   2  -3.780   6.234   3.829
   16   2HG1  VAL   2          2HG1      VAL   2  -2.595   5.829   5.071
   17   3HG1  VAL   2          3HG1      VAL   2  -2.074   6.082   3.409
   18   1HG2  VAL   2          1HG2      VAL   2  -1.014   9.137   5.218
   19   2HG2  VAL   2          2HG2      VAL   2  -0.532   8.125   3.856
   20   3HG2  VAL   2          3HG2      VAL   2  -0.731   7.412   5.455
   21    H    THR   3           H        THR   3  -4.097   7.270   1.498
   22    HA   THR   3           HA       THR   3  -6.785   7.336   2.604
   23    HB   THR   3           HB       THR   3  -6.179   8.365  -0.175
   24    HG1  THR   3           HG1      THR   3  -7.250   9.651   2.114
   25   1HG2  THR   3          1HG2      THR   3  -8.585   8.888  -0.282
   26   2HG2  THR   3          2HG2      THR   3  -8.822   7.968   1.203
   27   3HG2  THR   3          3HG2      THR   3  -8.249   7.158  -0.256
   28    H    GLN   4           H        GLN   4  -8.264   5.858   1.450
   29    HA   GLN   4           HA       GLN   4  -6.784   3.534   0.445
   30   1HB   GLN   4          1HB       GLN   4  -9.094   2.415   0.832
   31   2HB   GLN   4          2HB       GLN   4  -8.082   2.795   2.216
   32   1HG   GLN   4          1HG       GLN   4 -10.432   3.345   2.596
   33   2HG   GLN   4          2HG       GLN   4  -9.391   4.762   2.688
   34   1HE2  GLN   4          1HE2      GLN   4 -12.231   3.592   1.510
   35   2HE2  GLN   4          2HE2      GLN   4 -12.518   4.742   0.252
   36    H    PHE   5           H        PHE   5  -8.461   2.133  -1.021
   37    HA   PHE   5           HA       PHE   5  -9.402   3.958  -3.133
   38   1HB   PHE   5          1HB       PHE   5  -7.955   1.326  -3.491
   39   2HB   PHE   5          2HB       PHE   5  -8.690   2.259  -4.801
   40    HD1  PHE   5           HD1      PHE   5  -7.901   5.004  -3.904
   41    HD2  PHE   5           HD2      PHE   5  -5.698   1.361  -4.096
   42    HE1  PHE   5           HE1      PHE   5  -5.822   6.286  -4.206
   43    HE2  PHE   5           HE2      PHE   5  -3.618   2.642  -4.401
   44    HZ   PHE   5           HZ       PHE   5  -3.676   5.101  -4.456
   45    H    LYS   6           H        LYS   6 -11.160   3.286  -4.384
   46    HA   LYS   6           HA       LYS   6 -12.665   0.984  -3.346
   47   1HB   LYS   6          1HB       LYS   6 -13.696   3.760  -3.916
   48   2HB   LYS   6          2HB       LYS   6 -14.757   2.364  -3.796
   49   1HG   LYS   6          1HG       LYS   6 -12.919   3.349  -1.624
   50   2HG   LYS   6          2HG       LYS   6 -14.658   3.636  -1.709
   51   1HD   LYS   6          1HD       LYS   6 -15.042   1.203  -1.626
   52   2HD   LYS   6          2HD       LYS   6 -13.302   0.946  -1.495
   53   1HE   LYS   6          1HE       LYS   6 -13.271   2.201   0.602
   54   2HE   LYS   6          2HE       LYS   6 -15.008   2.474   0.467
   55   1HZ   LYS   6          1HZ       LYS   6 -15.085   0.643   1.750
   56   2HZ   LYS   6          2HZ       LYS   6 -13.563   0.086   1.267
   57   3HZ   LYS   6          3HZ       LYS   6 -14.910  -0.175   0.280
   58    H    THR   7           H        THR   7 -12.020   3.143  -6.073
   59    HA   THR   7           HA       THR   7 -13.157   1.083  -7.845
   60    HB   THR   7           HB       THR   7 -12.804   3.998  -8.542
   61    HG1  THR   7           HG1      THR   7 -15.144   2.684  -7.624
   62   1HG2  THR   7          1HG2      THR   7 -14.891   3.115  -9.998
   63   2HG2  THR   7          2HG2      THR   7 -13.893   1.662  -9.936
   64   3HG2  THR   7          3HG2      THR   7 -13.226   3.164 -10.575
   65    H    ALA   8           H        ALA   8 -12.069   0.978 -10.006
   66    HA   ALA   8           HA       ALA   8  -9.239   0.753  -9.613
   67   1HB   ALA   8          1HB       ALA   8 -10.291  -0.948 -10.912
   68   2HB   ALA   8          2HB       ALA   8  -9.248  -0.029 -11.997
   69   3HB   ALA   8          3HB       ALA   8 -10.990   0.242 -12.011
   70    H    SER   9           H        SER   9 -11.379   3.046 -11.072
   71    HA   SER   9           HA       SER   9  -9.544   4.389 -12.732
   72   1HB   SER   9          1HB       SER   9 -12.021   5.418 -11.331
   73   2HB   SER   9          2HB       SER   9 -11.164   6.266 -12.621
   74    HG   SER   9           HG       SER   9 -11.556   4.246 -13.863
   75    H    GLU  10           H        GLU  10  -9.701   4.170  -9.354
   76    HA   GLU  10           HA       GLU  10  -8.515   6.755  -8.875
   77   1HB   GLU  10          1HB       GLU  10  -9.179   4.519  -6.969
   78   2HB   GLU  10          2HB       GLU  10  -8.590   6.108  -6.498
   79   1HG   GLU  10          1HG       GLU  10 -10.594   7.134  -7.441
   80   2HG   GLU  10          2HG       GLU  10 -11.183   5.542  -7.921
   81    H    PHE  11           H        PHE  11  -7.649   3.533  -7.766
   82    HA   PHE  11           HA       PHE  11  -4.984   4.079  -7.200
   83   1HB   PHE  11          1HB       PHE  11  -6.331   2.048  -6.504
   84   2HB   PHE  11          2HB       PHE  11  -6.019   1.391  -8.106
   85    HD1  PHE  11           HD1      PHE  11  -5.164  -0.423  -6.349
   86    HD2  PHE  11           HD2      PHE  11  -3.205   3.256  -7.222
   87    HE1  PHE  11           HE1      PHE  11  -3.039  -1.356  -5.531
   88    HE2  PHE  11           HE2      PHE  11  -1.084   2.323  -6.417
   89    HZ   PHE  11           HZ       PHE  11  -1.000   0.019  -5.570
   90    H    ASP  12           H        ASP  12  -6.528   3.415 -10.242
   91    HA   ASP  12           HA       ASP  12  -4.389   2.485 -11.757
   92   1HB   ASP  12          1HB       ASP  12  -6.688   2.541 -12.599
   93   2HB   ASP  12          2HB       ASP  12  -6.650   4.302 -12.627
   94    H    SER  13           H        SER  13  -5.327   5.815 -10.990
   95    HA   SER  13           HA       SER  13  -3.148   6.923 -12.525
   96   1HB   SER  13          1HB       SER  13  -5.081   8.243 -10.605
   97   2HB   SER  13          2HB       SER  13  -3.944   9.094 -11.650
   98    HG   SER  13           HG       SER  13  -5.055   7.919 -13.415
   99    H    ALA  14           H        ALA  14  -3.694   5.924  -9.255
  100    HA   ALA  14           HA       ALA  14  -1.844   7.480  -7.878
  101   1HB   ALA  14          1HB       ALA  14  -1.893   4.732  -6.941
  102   2HB   ALA  14          2HB       ALA  14  -3.506   5.365  -7.260
  103   3HB   ALA  14          3HB       ALA  14  -2.433   6.210  -6.146
  104    H    ILE  15           H        ILE  15  -1.354   4.389  -9.566
  105    HA   ILE  15           HA       ILE  15   1.467   4.371  -8.979
  106    HB   ILE  15           HB       ILE  15   1.571   2.375 -10.396
  107   1HG1  ILE  15          1HG1      ILE  15  -1.373   2.916 -10.852
  108   2HG1  ILE  15          2HG1      ILE  15  -0.103   2.915 -12.071
  109   1HG2  ILE  15          1HG2      ILE  15   0.607   0.976  -8.845
  110   2HG2  ILE  15          2HG2      ILE  15  -0.816   1.998  -8.648
  111   3HG2  ILE  15          3HG2      ILE  15   0.722   2.483  -7.937
  112   1HD1  ILE  15          1HD1      ILE  15   0.226   0.545 -11.777
  113   2HD1  ILE  15          2HD1      ILE  15  -1.470   0.884 -12.123
  114   3HD1  ILE  15          3HD1      ILE  15  -0.963   0.517 -10.474
  115    H    ALA  16           H        ALA  16  -0.482   4.801 -11.928
  116    HA   ALA  16           HA       ALA  16   1.432   5.079 -13.823
  117   1HB   ALA  16          1HB       ALA  16  -0.850   5.216 -14.450
  118   2HB   ALA  16          2HB       ALA  16  -0.094   6.732 -14.938
  119   3HB   ALA  16          3HB       ALA  16  -1.095   6.673 -13.488
  120    H    GLN  17           H        GLN  17   3.354   6.001 -13.356
  121    HA   GLN  17           HA       GLN  17   4.910   7.579 -12.800
  122   1HB   GLN  17          1HB       GLN  17   2.923   9.310 -14.281
  123   2HB   GLN  17          2HB       GLN  17   4.600   9.732 -13.966
  124   1HG   GLN  17          1HG       GLN  17   5.338   7.837 -15.311
  125   2HG   GLN  17          2HG       GLN  17   3.654   7.400 -15.621
  126   1HE2  GLN  17          1HE2      GLN  17   6.256   8.844 -16.932
  127   2HE2  GLN  17          2HE2      GLN  17   5.484   9.919 -18.042
  128    H    ASP  18           H        ASP  18   4.749   7.635 -10.552
  129    HA   ASP  18           HA       ASP  18   4.051  10.135  -9.446
  130   1HB   ASP  18          1HB       ASP  18   1.769   9.230  -9.682
  131   2HB   ASP  18          2HB       ASP  18   2.227   7.839  -8.705
  132    H    LYS  19           H        LYS  19   6.338   8.491  -9.445
  133    HA   LYS  19           HA       LYS  19   7.984   7.800  -8.029
  134   1HB   LYS  19          1HB       LYS  19   6.167   9.064  -5.990
  135   2HB   LYS  19          2HB       LYS  19   7.820   8.571  -5.670
  136   1HG   LYS  19          1HG       LYS  19   7.848  10.905  -6.019
  137   2HG   LYS  19          2HG       LYS  19   8.547  10.160  -7.457
  138   1HD   LYS  19          1HD       LYS  19   6.506  10.479  -8.685
  139   2HD   LYS  19          2HD       LYS  19   5.671  11.043  -7.236
  140   1HE   LYS  19          1HE       LYS  19   6.294  12.911  -8.671
  141   2HE   LYS  19          2HE       LYS  19   7.159  12.979  -7.136
  142   1HZ   LYS  19          1HZ       LYS  19   9.069  11.933  -8.281
  143   2HZ   LYS  19          2HZ       LYS  19   8.676  13.458  -8.897
  144   3HZ   LYS  19          3HZ       LYS  19   8.236  12.064  -9.747
  145    H    LEU  20           H        LEU  20   7.647   6.852  -5.331
  146    HA   LEU  20           HA       LEU  20   6.523   4.234  -5.959
  147   1HB   LEU  20          1HB       LEU  20   8.782   4.184  -5.167
  148   2HB   LEU  20          2HB       LEU  20   8.375   5.208  -3.790
  149    HG   LEU  20           HG       LEU  20   6.915   3.344  -2.949
  150   1HD1  LEU  20          1HD1      LEU  20   6.602   1.460  -4.080
  151   2HD1  LEU  20          2HD1      LEU  20   8.320   1.291  -4.436
  152   3HD1  LEU  20          3HD1      LEU  20   7.301   2.291  -5.470
  153   1HD2  LEU  20          1HD2      LEU  20   8.928   3.564  -1.820
  154   2HD2  LEU  20          2HD2      LEU  20   9.884   3.101  -3.229
  155   3HD2  LEU  20          3HD2      LEU  20   8.958   1.882  -2.352
  156    H    VAL  21           H        VAL  21   4.528   3.836  -5.342
  157    HA   VAL  21           HA       VAL  21   3.420   5.247  -3.024
  158    HB   VAL  21           HB       VAL  21   1.957   3.697  -5.166
  159   1HG1  VAL  21          1HG1      VAL  21   0.850   3.863  -2.923
  160   2HG1  VAL  21          2HG1      VAL  21  -0.056   4.585  -4.253
  161   3HG1  VAL  21          3HG1      VAL  21   0.835   5.615  -3.133
  162   1HG2  VAL  21          1HG2      VAL  21   2.989   6.418  -5.097
  163   2HG2  VAL  21          2HG2      VAL  21   1.253   6.352  -5.407
  164   3HG2  VAL  21          3HG2      VAL  21   2.371   5.474  -6.453
  165    H    VAL  22           H        VAL  22   2.789   4.191  -1.231
  166    HA   VAL  22           HA       VAL  22   3.276   1.299  -1.127
  167    HB   VAL  22           HB       VAL  22   2.866   3.233   1.161
  168   1HG1  VAL  22          1HG1      VAL  22   2.457   1.285   2.222
  169   2HG1  VAL  22          2HG1      VAL  22   4.215   1.146   2.201
  170   3HG1  VAL  22          3HG1      VAL  22   3.251   0.318   0.979
  171   1HG2  VAL  22          1HG2      VAL  22   4.908   3.663  -0.221
  172   2HG2  VAL  22          2HG2      VAL  22   5.459   2.040   0.197
  173   3HG2  VAL  22          3HG2      VAL  22   5.234   3.249   1.462
  174    H    VAL  23           H        VAL  23   1.363   0.494  -1.987
  175    HA   VAL  23           HA       VAL  23  -1.139   1.279  -0.684
  176    HB   VAL  23           HB       VAL  23  -0.773  -0.453  -3.131
  177   1HG1  VAL  23          1HG1      VAL  23  -3.266   1.025  -2.393
  178   2HG1  VAL  23          2HG1      VAL  23  -2.918  -0.543  -1.663
  179   3HG1  VAL  23          3HG1      VAL  23  -3.067  -0.399  -3.415
  180   1HG2  VAL  23          1HG2      VAL  23  -1.884   1.935  -3.936
  181   2HG2  VAL  23          2HG2      VAL  23  -0.205   1.449  -4.156
  182   3HG2  VAL  23          3HG2      VAL  23  -0.662   2.434  -2.767
  183    H    ASP  24           H        ASP  24  -2.058   0.055   0.785
  184    HA   ASP  24           HA       ASP  24  -1.035  -2.651   1.236
  185   1HB   ASP  24          1HB       ASP  24  -0.974  -1.067   3.126
  186   2HB   ASP  24          2HB       ASP  24  -2.729  -0.871   3.010
  187    H    PHE  25           H        PHE  25  -2.269  -4.423   0.878
  188    HA   PHE  25           HA       PHE  25  -5.020  -4.035  -0.026
  189   1HB   PHE  25          1HB       PHE  25  -2.984  -6.241  -0.328
  190   2HB   PHE  25          2HB       PHE  25  -4.680  -6.491  -0.731
  191    HD1  PHE  25           HD1      PHE  25  -2.190  -3.770  -1.417
  192    HD2  PHE  25           HD2      PHE  25  -5.052  -6.520  -2.936
  193    HE1  PHE  25           HE1      PHE  25  -1.735  -2.964  -3.700
  194    HE2  PHE  25           HE2      PHE  25  -4.630  -5.708  -5.213
  195    HZ   PHE  25           HZ       PHE  25  -2.973  -3.925  -5.603
  196    H    TYR  26           H        TYR  26  -4.834  -3.687   2.635
  197    HA   TYR  26           HA       TYR  26  -4.910  -5.830   4.349
  198   1HB   TYR  26          1HB       TYR  26  -6.532  -4.387   5.706
  199   2HB   TYR  26          2HB       TYR  26  -4.955  -3.703   5.338
  200    HD1  TYR  26           HD1      TYR  26  -8.300  -3.867   3.641
  201    HD2  TYR  26           HD2      TYR  26  -5.004  -1.454   4.822
  202    HE1  TYR  26           HE1      TYR  26  -9.382  -1.902   2.649
  203    HE2  TYR  26           HE2      TYR  26  -6.082   0.506   3.870
  204    HH   TYR  26           HH       TYR  26  -8.241   0.557   1.710
  205    H    ALA  27           H        ALA  27  -6.371  -7.318   5.021
  206    HA   ALA  27           HA       ALA  27  -8.336  -8.198   3.224
  207   1HB   ALA  27          1HB       ALA  27  -9.125  -9.445   5.433
  208   2HB   ALA  27          2HB       ALA  27  -7.544  -8.902   5.993
  209   3HB   ALA  27          3HB       ALA  27  -7.669  -9.917   4.557
  210    H    THR  28           H        THR  28 -10.544  -7.988   3.172
  211    HA   THR  28           HA       THR  28 -11.618  -5.583   4.205
  212    HB   THR  28           HB       THR  28 -12.436  -6.457   2.115
  213    HG1  THR  28           HG1      THR  28 -13.918  -5.367   3.619
  214   1HG2  THR  28          1HG2      THR  28 -13.216  -8.865   3.718
  215   2HG2  THR  28          2HG2      THR  28 -12.268  -8.782   2.232
  216   3HG2  THR  28          3HG2      THR  28 -14.002  -8.458   2.191
  217    H    TRP  29           H        TRP  29 -11.182  -8.608   5.634
  218    HA   TRP  29           HA       TRP  29 -13.377  -8.168   7.536
  219   1HB   TRP  29          1HB       TRP  29 -12.856 -10.606   8.170
  220   2HB   TRP  29          2HB       TRP  29 -13.650 -10.309   6.617
  221    HD1  TRP  29           HD1      TRP  29 -12.120 -10.592   4.394
  222    HE1  TRP  29           HE1      TRP  29 -10.000 -11.990   3.976
  223    HE3  TRP  29           HE3      TRP  29 -10.755 -11.461   9.240
  224    HZ2  TRP  29           HZ2      TRP  29  -8.007 -13.276   5.496
  225    HZ3  TRP  29           HZ3      TRP  29  -8.723 -12.772   9.676
  226    HH2  TRP  29           HH2      TRP  29  -7.377 -13.666   7.842
  227    H    CYS  30           H        CYS  30  -9.925  -9.061   7.396
  228    HA   CYS  30           HA       CYS  30  -9.299  -9.405  10.008
  229   1HB   CYS  30          1HB       CYS  30  -7.673  -9.423   8.081
  230   2HB   CYS  30          2HB       CYS  30  -7.626  -7.662   8.191
  231    HG   CYS  30           HG       CYS  30  -6.164  -9.596  10.013
  232    H    GLY  31           H        GLY  31  -8.990  -8.200  11.835
  233   1HA   GLY  31          1HA       GLY  31 -10.188  -5.543  11.816
  234   2HA   GLY  31          2HA       GLY  31  -9.786  -6.495  13.237
  235    HA   PRO  32           HA       PRO  32  -5.841  -4.682  14.067
  236   1HB   PRO  32          1HB       PRO  32  -4.401  -6.753  12.456
  237   2HB   PRO  32          2HB       PRO  32  -4.052  -6.149  14.081
  238   1HG   PRO  32          1HG       PRO  32  -5.239  -8.505  13.742
  239   2HG   PRO  32          2HG       PRO  32  -5.726  -7.422  15.058
  240   1HD   PRO  32          1HD       PRO  32  -7.125  -8.055  12.512
  241   2HD   PRO  32          2HD       PRO  32  -7.799  -7.624  14.096
  242    H    CYS  33           H        CYS  33  -6.378  -5.648  10.735
  243    HA   CYS  33           HA       CYS  33  -4.389  -4.041   9.541
  244   1HB   CYS  33          1HB       CYS  33  -6.992  -5.132   8.460
  245   2HB   CYS  33          2HB       CYS  33  -5.800  -4.278   7.470
  246    HG   CYS  33           HG       CYS  33  -4.839  -6.823   8.923
  247    H    LYS  34           H        LYS  34  -7.459  -3.261  10.914
  248    HA   LYS  34           HA       LYS  34  -7.952  -0.890   9.408
  249   1HB   LYS  34          1HB       LYS  34  -9.040  -1.747  12.094
  250   2HB   LYS  34          2HB       LYS  34  -9.656  -0.413  11.130
  251   1HG   LYS  34          1HG       LYS  34 -10.269  -1.974   9.355
  252   2HG   LYS  34          2HG       LYS  34  -9.646  -3.314  10.321
  253   1HD   LYS  34          1HD       LYS  34 -11.291  -2.830  12.062
  254   2HD   LYS  34          2HD       LYS  34 -11.907  -1.478  11.110
  255   1HE   LYS  34          1HE       LYS  34 -11.932  -4.380  10.290
  256   2HE   LYS  34          2HE       LYS  34 -13.320  -3.457  10.866
  257   1HZ   LYS  34          1HZ       LYS  34 -13.436  -3.494   8.523
  258   2HZ   LYS  34          2HZ       LYS  34 -11.809  -3.071   8.345
  259   3HZ   LYS  34          3HZ       LYS  34 -12.916  -1.937   8.934
  260    H    MET  35           H        MET  35  -6.137  -1.598  12.304
  261    HA   MET  35           HA       MET  35  -5.905   1.160  13.115
  262   1HB   MET  35          1HB       MET  35  -4.501  -1.361  13.988
  263   2HB   MET  35          2HB       MET  35  -4.130   0.218  14.662
  264   1HG   MET  35          1HG       MET  35  -5.619  -0.929  16.139
  265   2HG   MET  35          2HG       MET  35  -6.478   0.418  15.397
  266   1HE   MET  35          1HE       MET  35  -8.823  -0.616  16.163
  267   2HE   MET  35          2HE       MET  35  -7.933  -1.921  16.944
  268   3HE   MET  35          3HE       MET  35  -9.277  -2.293  15.866
  269    H    ILE  36           H        ILE  36  -4.787  -0.283  10.500
  270    HA   ILE  36           HA       ILE  36  -2.022   0.509  10.533
  271    HB   ILE  36           HB       ILE  36  -3.813  -0.611   8.387
  272   1HG1  ILE  36          1HG1      ILE  36  -1.531  -1.810   9.964
  273   2HG1  ILE  36          2HG1      ILE  36  -3.241  -2.137  10.222
  274   1HG2  ILE  36          1HG2      ILE  36  -1.384  -1.043   7.389
  275   2HG2  ILE  36          2HG2      ILE  36  -1.076   0.475   8.234
  276   3HG2  ILE  36          3HG2      ILE  36  -2.341   0.389   7.008
  277   1HD1  ILE  36          1HD1      ILE  36  -1.502  -2.949   7.934
  278   2HD1  ILE  36          2HD1      ILE  36  -3.261  -2.932   7.800
  279   3HD1  ILE  36          3HD1      ILE  36  -2.478  -3.954   9.005
  280    H    ALA  37           H        ALA  37  -5.047   1.865   9.445
  281    HA   ALA  37           HA       ALA  37  -4.275   3.630   7.489
  282   1HB   ALA  37          1HB       ALA  37  -6.600   3.199   8.470
  283   2HB   ALA  37          2HB       ALA  37  -6.234   4.830   7.909
  284   3HB   ALA  37          3HB       ALA  37  -6.200   4.462   9.633
  285    HA   PRO  38           HA       PRO  38  -2.944   6.861  10.797
  286   1HB   PRO  38          1HB       PRO  38  -2.278   5.934  13.265
  287   2HB   PRO  38          2HB       PRO  38  -3.907   6.491  12.853
  288   1HG   PRO  38          1HG       PRO  38  -2.851   3.714  13.089
  289   2HG   PRO  38          2HG       PRO  38  -4.438   4.356  13.543
  290   1HD   PRO  38          1HD       PRO  38  -3.942   2.928  11.258
  291   2HD   PRO  38          2HD       PRO  38  -5.280   4.069  11.433
  292    H    MET  39           H        MET  39  -1.593   3.607  11.152
  293    HA   MET  39           HA       MET  39   1.090   4.386  11.553
  294   1HB   MET  39          1HB       MET  39   0.299   2.100  11.979
  295   2HB   MET  39          2HB       MET  39  -0.009   1.869  10.271
  296   1HG   MET  39          1HG       MET  39   2.353   2.113   9.832
  297   2HG   MET  39          2HG       MET  39   2.669   2.359  11.540
  298   1HE   MET  39          1HE       MET  39   1.676  -1.111   9.049
  299   2HE   MET  39          2HE       MET  39   0.671   0.328   9.218
  300   3HE   MET  39          3HE       MET  39   0.314  -1.114  10.169
  301    H    ILE  40           H        ILE  40  -0.648   3.361   8.621
  302    HA   ILE  40           HA       ILE  40   1.310   3.672   6.720
  303    HB   ILE  40           HB       ILE  40  -1.646   4.304   6.532
  304   1HG1  ILE  40          1HG1      ILE  40  -0.011   1.916   5.645
  305   2HG1  ILE  40          2HG1      ILE  40  -1.114   1.975   7.014
  306   1HG2  ILE  40          1HG2      ILE  40   0.380   4.097   4.301
  307   2HG2  ILE  40          2HG2      ILE  40  -0.518   5.537   4.780
  308   3HG2  ILE  40          3HG2      ILE  40  -1.369   4.159   4.079
  309   1HD1  ILE  40          1HD1      ILE  40  -1.803   0.991   4.641
  310   2HD1  ILE  40          2HD1      ILE  40  -2.236   2.679   4.373
  311   3HD1  ILE  40          3HD1      ILE  40  -2.956   1.786   5.711
  312    H    GLU  41           H        GLU  41  -0.437   6.126   8.464
  313    HA   GLU  41           HA       GLU  41   0.366   8.297   6.762
  314   1HB   GLU  41          1HB       GLU  41  -1.716   8.392   8.044
  315   2HB   GLU  41          2HB       GLU  41  -0.812   8.289   9.549
  316   1HG   GLU  41          1HG       GLU  41   0.265  10.437   9.021
  317   2HG   GLU  41          2HG       GLU  41  -0.694  10.539   7.543
  318    H    LYS  42           H        LYS  42   1.499   6.832   9.754
  319    HA   LYS  42           HA       LYS  42   3.317   8.809  10.541
  320   1HB   LYS  42          1HB       LYS  42   3.447   5.815  10.942
  321   2HB   LYS  42          2HB       LYS  42   4.392   7.002  11.831
  322   1HG   LYS  42          1HG       LYS  42   1.398   6.934  11.816
  323   2HG   LYS  42          2HG       LYS  42   2.398   6.132  13.023
  324   1HD   LYS  42          1HD       LYS  42   3.464   8.375  13.459
  325   2HD   LYS  42          2HD       LYS  42   2.200   9.079  12.446
  326   1HE   LYS  42          1HE       LYS  42   0.504   8.115  13.925
  327   2HE   LYS  42          2HE       LYS  42   1.782   7.450  14.939
  328   1HZ   LYS  42          1HZ       LYS  42   0.920   9.509  15.856
  329   2HZ   LYS  42          2HZ       LYS  42   1.301  10.338  14.432
  330   3HZ   LYS  42          3HZ       LYS  42   2.537   9.704  15.396
  331    H    PHE  43           H        PHE  43   3.459   6.526   7.953
  332    HA   PHE  43           HA       PHE  43   6.343   6.753   7.683
  333   1HB   PHE  43          1HB       PHE  43   4.281   5.231   6.083
  334   2HB   PHE  43          2HB       PHE  43   6.004   5.240   5.707
  335    HD1  PHE  43           HD1      PHE  43   3.857   4.741   8.718
  336    HD2  PHE  43           HD2      PHE  43   7.166   3.400   6.404
  337    HE1  PHE  43           HE1      PHE  43   4.204   2.886  10.296
  338    HE2  PHE  43           HE2      PHE  43   7.517   1.540   7.975
  339    HZ   PHE  43           HZ       PHE  43   6.034   1.280   9.925
  340    H    SER  44           H        SER  44   3.524   8.270   6.466
  341    HA   SER  44           HA       SER  44   4.656   9.179   4.002
  342   1HB   SER  44          1HB       SER  44   2.687  10.658   3.883
  343   2HB   SER  44          2HB       SER  44   2.223   8.997   4.291
  344    HG   SER  44           HG       SER  44   1.730  11.225   5.650
  345    H    GLU  45           H        GLU  45   5.312   9.983   7.170
  346    HA   GLU  45           HA       GLU  45   5.815  12.804   6.669
  347   1HB   GLU  45          1HB       GLU  45   6.326  11.133   9.138
  348   2HB   GLU  45          2HB       GLU  45   6.487  12.881   9.031
  349   1HG   GLU  45          1HG       GLU  45   3.935  11.324   8.680
  350   2HG   GLU  45          2HG       GLU  45   4.408  12.230  10.116
  351    H    GLN  46           H        GLN  46   7.533   9.782   6.894
  352    HA   GLN  46           HA       GLN  46  10.125  11.100   6.908
  353   1HB   GLN  46          1HB       GLN  46   9.388   8.172   6.873
  354   2HB   GLN  46          2HB       GLN  46  11.029   8.798   6.989
  355   1HG   GLN  46          1HG       GLN  46  10.465   9.894   9.091
  356   2HG   GLN  46          2HG       GLN  46   8.822   9.269   8.975
  357   1HE2  GLN  46          1HE2      GLN  46   8.470   7.587  10.211
  358   2HE2  GLN  46          2HE2      GLN  46   9.630   6.355  10.631
  359    H    TYR  47           H        TYR  47   7.990   9.471   4.671
  360    HA   TYR  47           HA       TYR  47   9.989   9.920   2.549
  361   1HB   TYR  47          1HB       TYR  47   7.932   7.708   2.694
  362   2HB   TYR  47          2HB       TYR  47   9.069   7.973   1.374
  363    HD1  TYR  47           HD1      TYR  47  11.603   7.981   2.059
  364    HD2  TYR  47           HD2      TYR  47   8.494   6.256   4.389
  365    HE1  TYR  47           HE1      TYR  47  13.260   6.575   3.214
  366    HE2  TYR  47           HE2      TYR  47  10.139   4.835   5.548
  367    HH   TYR  47           HH       TYR  47  12.856   5.159   5.988
  368    HA   PRO  48           HA       PRO  48   5.722  12.290   2.160
  369   1HB   PRO  48          1HB       PRO  48   7.878  14.259   1.520
  370   2HB   PRO  48          2HB       PRO  48   6.302  14.532   2.271
  371   1HG   PRO  48          1HG       PRO  48   8.551  14.405   3.729
  372   2HG   PRO  48          2HG       PRO  48   7.004  13.793   4.336
  373   1HD   PRO  48          1HD       PRO  48   9.406  12.306   3.496
  374   2HD   PRO  48          2HD       PRO  48   8.055  11.789   4.528
  375    H    GLN  49           H        GLN  49   8.671  11.965   0.308
  376    HA   GLN  49           HA       GLN  49   7.727  12.859  -2.176
  377   1HB   GLN  49          1HB       GLN  49   9.842  10.785  -1.573
  378   2HB   GLN  49          2HB       GLN  49   9.583  11.528  -3.146
  379   1HG   GLN  49          1HG       GLN  49  10.123  13.715  -2.202
  380   2HG   GLN  49          2HG       GLN  49  10.378  12.972  -0.625
  381   1HE2  GLN  49          1HE2      GLN  49  11.924  14.150  -3.224
  382   2HE2  GLN  49          2HE2      GLN  49  13.392  13.243  -3.150
  383    H    ALA  50           H        ALA  50   7.578   9.709  -0.618
  384    HA   ALA  50           HA       ALA  50   6.288   8.512  -2.934
  385   1HB   ALA  50          1HB       ALA  50   7.458   7.508  -0.399
  386   2HB   ALA  50          2HB       ALA  50   7.640   6.911  -2.049
  387   3HB   ALA  50          3HB       ALA  50   6.172   6.554  -1.140
  388    H    ASP  51           H        ASP  51   4.181   7.731  -2.960
  389    HA   ASP  51           HA       ASP  51   2.365   9.104  -1.149
  390   1HB   ASP  51          1HB       ASP  51   1.804   7.434  -3.608
  391   2HB   ASP  51          2HB       ASP  51   0.601   8.342  -2.698
  392    H    PHE  52           H        PHE  52   0.774   8.070   0.080
  393    HA   PHE  52           HA       PHE  52   1.206   5.189   0.488
  394   1HB   PHE  52          1HB       PHE  52   0.759   7.316   2.591
  395   2HB   PHE  52          2HB       PHE  52   0.691   5.577   2.910
  396    HD1  PHE  52           HD1      PHE  52   2.981   8.005   1.232
  397    HD2  PHE  52           HD2      PHE  52   2.573   4.639   3.800
  398    HE1  PHE  52           HE1      PHE  52   5.419   7.970   1.565
  399    HE2  PHE  52           HE2      PHE  52   5.009   4.595   4.138
  400    HZ   PHE  52           HZ       PHE  52   6.437   6.263   3.021
  401    H    TYR  53           H        TYR  53  -0.513   4.420  -0.577
  402    HA   TYR  53           HA       TYR  53  -3.174   5.384   0.234
  403   1HB   TYR  53          1HB       TYR  53  -2.184   4.202  -2.352
  404   2HB   TYR  53          2HB       TYR  53  -3.897   4.240  -1.951
  405    HD1  TYR  53           HD1      TYR  53  -4.830   6.600  -1.270
  406    HD2  TYR  53           HD2      TYR  53  -1.267   5.983  -3.510
  407    HE1  TYR  53           HE1      TYR  53  -4.995   8.886  -2.154
  408    HE2  TYR  53           HE2      TYR  53  -1.420   8.272  -4.397
  409    HH   TYR  53           HH       TYR  53  -2.440  10.407  -3.820
  410    H    LYS  54           H        LYS  54  -4.816   3.439  -0.432
  411    HA   LYS  54           HA       LYS  54  -3.783   0.941   0.716
  412   1HB   LYS  54          1HB       LYS  54  -6.432   2.167   1.492
  413   2HB   LYS  54          2HB       LYS  54  -5.733   0.683   2.108
  414   1HG   LYS  54          1HG       LYS  54  -4.149   1.802   3.381
  415   2HG   LYS  54          2HG       LYS  54  -4.341   3.302   2.470
  416   1HD   LYS  54          1HD       LYS  54  -6.333   3.841   3.524
  417   2HD   LYS  54          2HD       LYS  54  -6.658   2.174   3.995
  418   1HE   LYS  54          1HE       LYS  54  -6.029   3.572   5.911
  419   2HE   LYS  54          2HE       LYS  54  -4.878   2.264   5.639
  420   1HZ   LYS  54          1HZ       LYS  54  -4.508   5.126   5.428
  421   2HZ   LYS  54          2HZ       LYS  54  -3.791   4.220   4.193
  422   3HZ   LYS  54          3HZ       LYS  54  -3.393   3.914   5.806
  423    H    LEU  55           H        LEU  55  -5.328  -0.895   0.337
  424    HA   LEU  55           HA       LEU  55  -6.928  -0.496  -2.097
  425   1HB   LEU  55          1HB       LEU  55  -4.637  -1.529  -2.528
  426   2HB   LEU  55          2HB       LEU  55  -5.198  -2.917  -1.617
  427    HG   LEU  55           HG       LEU  55  -5.370  -3.247  -4.053
  428   1HD1  LEU  55          1HD1      LEU  55  -6.966  -4.266  -2.334
  429   2HD1  LEU  55          2HD1      LEU  55  -7.459  -4.291  -4.028
  430   3HD1  LEU  55          3HD1      LEU  55  -8.143  -3.095  -2.928
  431   1HD2  LEU  55          1HD2      LEU  55  -7.585  -1.230  -4.074
  432   2HD2  LEU  55          2HD2      LEU  55  -6.746  -1.972  -5.435
  433   3HD2  LEU  55          3HD2      LEU  55  -5.921  -0.775  -4.437
  434    H    ASP  56           H        ASP  56  -8.967  -1.024  -1.690
  435    HA   ASP  56           HA       ASP  56  -9.737  -2.496   0.617
  436   1HB   ASP  56          1HB       ASP  56 -11.122  -0.699  -0.460
  437   2HB   ASP  56          2HB       ASP  56 -11.447  -1.813  -1.786
  438    H    VAL  57           H        VAL  57  -9.661  -4.617   0.861
  439    HA   VAL  57           HA       VAL  57  -9.236  -6.393  -1.328
  440    HB   VAL  57           HB       VAL  57  -9.631  -6.817   1.631
  441   1HG1  VAL  57          1HG1      VAL  57  -9.083  -9.216   1.238
  442   2HG1  VAL  57          2HG1      VAL  57  -9.305  -8.948  -0.492
  443   3HG1  VAL  57          3HG1      VAL  57 -10.666  -8.751   0.612
  444   1HG2  VAL  57          1HG2      VAL  57  -7.484  -5.931   0.707
  445   2HG2  VAL  57          2HG2      VAL  57  -7.303  -7.439  -0.190
  446   3HG2  VAL  57          3HG2      VAL  57  -7.323  -7.458   1.574
  447    H    ASP  58           H        ASP  58 -12.048  -5.000  -0.149
  448    HA   ASP  58           HA       ASP  58 -13.711  -7.284  -0.940
  449   1HB   ASP  58          1HB       ASP  58 -14.280  -6.295   1.209
  450   2HB   ASP  58          2HB       ASP  58 -14.451  -4.710   0.467
  451    H    GLU  59           H        GLU  59 -13.702  -3.751  -1.368
  452    HA   GLU  59           HA       GLU  59 -15.414  -3.780  -3.610
  453   1HB   GLU  59          1HB       GLU  59 -15.017  -1.816  -2.109
  454   2HB   GLU  59          2HB       GLU  59 -13.427  -1.631  -2.842
  455   1HG   GLU  59          1HG       GLU  59 -14.934  -0.082  -3.863
  456   2HG   GLU  59          2HG       GLU  59 -14.531  -1.334  -5.038
  457    H    LEU  60           H        LEU  60 -11.928  -3.954  -3.250
  458    HA   LEU  60           HA       LEU  60 -11.700  -4.242  -6.175
  459   1HB   LEU  60          1HB       LEU  60  -9.669  -3.122  -4.243
  460   2HB   LEU  60          2HB       LEU  60  -9.357  -3.448  -5.937
  461    HG   LEU  60           HG       LEU  60 -11.106  -1.789  -6.540
  462   1HD1  LEU  60          1HD1      LEU  60 -11.426  -0.204  -4.371
  463   2HD1  LEU  60          2HD1      LEU  60 -11.454  -1.802  -3.630
  464   3HD1  LEU  60          3HD1      LEU  60 -12.596  -1.408  -4.910
  465   1HD2  LEU  60          1HD2      LEU  60  -8.548  -1.349  -6.025
  466   2HD2  LEU  60          2HD2      LEU  60  -9.232  -0.339  -4.751
  467   3HD2  LEU  60          3HD2      LEU  60  -9.652  -0.038  -6.437
  468    H    GLY  61           H        GLY  61 -12.326  -6.403  -4.506
  469   1HA   GLY  61          1HA       GLY  61 -10.174  -7.902  -3.567
  470   2HA   GLY  61          2HA       GLY  61 -11.685  -8.580  -4.152
  471    H    ASP  62           H        ASP  62 -11.084  -7.192  -6.812
  472    HA   ASP  62           HA       ASP  62 -10.014  -9.412  -8.135
  473   1HB   ASP  62          1HB       ASP  62 -10.255  -6.587  -9.080
  474   2HB   ASP  62          2HB       ASP  62  -9.943  -7.966 -10.117
  475    H    VAL  63           H        VAL  63  -8.524  -6.354  -7.155
  476    HA   VAL  63           HA       VAL  63  -6.026  -6.891  -8.400
  477    HB   VAL  63           HB       VAL  63  -6.378  -5.073  -6.023
  478   1HG1  VAL  63          1HG1      VAL  63  -4.110  -5.629  -7.108
  479   2HG1  VAL  63          2HG1      VAL  63  -4.509  -3.936  -6.820
  480   3HG1  VAL  63          3HG1      VAL  63  -4.666  -4.615  -8.439
  481   1HG2  VAL  63          1HG2      VAL  63  -6.695  -3.379  -8.075
  482   2HG2  VAL  63          2HG2      VAL  63  -8.049  -4.132  -7.232
  483   3HG2  VAL  63          3HG2      VAL  63  -7.474  -4.806  -8.757
  484    H    ALA  64           H        ALA  64  -7.184  -7.234  -5.042
  485    HA   ALA  64           HA       ALA  64  -4.826  -8.153  -3.849
  486   1HB   ALA  64          1HB       ALA  64  -7.247  -7.672  -2.890
  487   2HB   ALA  64          2HB       ALA  64  -6.127  -8.757  -2.065
  488   3HB   ALA  64          3HB       ALA  64  -7.412  -9.418  -3.077
  489    H    GLN  65           H        GLN  65  -7.003  -9.690  -6.072
  490    HA   GLN  65           HA       GLN  65  -5.887 -12.334  -5.617
  491   1HB   GLN  65          1HB       GLN  65  -8.291 -12.134  -6.007
  492   2HB   GLN  65          2HB       GLN  65  -7.991 -11.378  -7.565
  493   1HG   GLN  65          1HG       GLN  65  -6.935 -13.434  -8.359
  494   2HG   GLN  65          2HG       GLN  65  -7.246 -14.192  -6.797
  495   1HE2  GLN  65          1HE2      GLN  65  -8.916 -15.497  -6.821
  496   2HE2  GLN  65          2HE2      GLN  65 -10.347 -15.315  -7.772
  497    H    LYS  66           H        LYS  66  -5.936  -9.847  -8.161
  498    HA   LYS  66           HA       LYS  66  -4.633 -11.276 -10.159
  499   1HB   LYS  66          1HB       LYS  66  -4.226  -9.229 -11.241
  500   2HB   LYS  66          2HB       LYS  66  -5.687  -8.949 -10.307
  501   1HG   LYS  66          1HG       LYS  66  -4.367  -7.813  -8.592
  502   2HG   LYS  66          2HG       LYS  66  -2.906  -8.083  -9.541
  503   1HD   LYS  66          1HD       LYS  66  -5.317  -6.500 -10.430
  504   2HD   LYS  66          2HD       LYS  66  -3.794  -5.817  -9.855
  505   1HE   LYS  66          1HE       LYS  66  -4.155  -7.550 -12.297
  506   2HE   LYS  66          2HE       LYS  66  -3.909  -5.804 -12.295
  507   1HZ   LYS  66          1HZ       LYS  66  -1.983  -7.869 -11.376
  508   2HZ   LYS  66          2HZ       LYS  66  -1.747  -6.203 -11.204
  509   3HZ   LYS  66          3HZ       LYS  66  -1.841  -6.889 -12.748
  510    H    ASN  67           H        ASN  67  -3.216  -9.242  -7.608
  511    HA   ASN  67           HA       ASN  67  -0.535  -9.924  -8.352
  512   1HB   ASN  67          1HB       ASN  67  -1.694  -8.444  -5.984
  513   2HB   ASN  67          2HB       ASN  67   0.029  -8.620  -6.309
  514   1HD2  ASN  67          1HD2      ASN  67  -2.454  -6.563  -6.550
  515   2HD2  ASN  67          2HD2      ASN  67  -1.936  -5.605  -7.913
  516    H    GLU  68           H        GLU  68  -2.875 -11.684  -6.899
  517    HA   GLU  68           HA       GLU  68  -2.896 -13.590  -5.673
  518   1HB   GLU  68          1HB       GLU  68   0.111 -13.447  -5.953
  519   2HB   GLU  68          2HB       GLU  68  -0.799 -14.846  -5.404
  520   1HG   GLU  68          1HG       GLU  68  -1.894 -14.996  -7.577
  521   2HG   GLU  68          2HG       GLU  68  -0.993 -13.584  -8.130
  522    H    VAL  69           H        VAL  69  -3.008 -11.105  -4.324
  523    HA   VAL  69           HA       VAL  69  -1.481 -11.650  -1.867
  524    HB   VAL  69           HB       VAL  69  -2.857  -9.091  -2.691
  525   1HG1  VAL  69          1HG1      VAL  69  -2.724  -9.316  -0.291
  526   2HG1  VAL  69          2HG1      VAL  69  -1.562  -8.109  -0.841
  527   3HG1  VAL  69          3HG1      VAL  69  -1.009  -9.724  -0.394
  528   1HG2  VAL  69          1HG2      VAL  69  -0.927  -8.328  -3.601
  529   2HG2  VAL  69          2HG2      VAL  69  -0.657 -10.047  -3.883
  530   3HG2  VAL  69          3HG2      VAL  69   0.088  -9.253  -2.496
  531    H    SER  70           H        SER  70  -2.824 -13.144  -0.886
  532    HA   SER  70           HA       SER  70  -5.547 -12.220  -0.245
  533   1HB   SER  70          1HB       SER  70  -6.117 -14.598   0.113
  534   2HB   SER  70          2HB       SER  70  -5.535 -14.301  -1.533
  535    HG   SER  70           HG       SER  70  -3.487 -15.082  -0.847
  536    H    ALA  71           H        ALA  71  -2.887 -11.707   1.130
  537    HA   ALA  71           HA       ALA  71  -3.067 -13.110   3.633
  538   1HB   ALA  71          1HB       ALA  71  -1.003 -11.989   2.414
  539   2HB   ALA  71          2HB       ALA  71  -1.078 -12.130   4.170
  540   3HB   ALA  71          3HB       ALA  71  -1.490 -10.604   3.391
  541    H    MET  72           H        MET  72  -2.477 -10.788   5.334
  542    HA   MET  72           HA       MET  72  -4.613  -8.940   5.196
  543   1HB   MET  72          1HB       MET  72  -5.630  -9.958   7.435
  544   2HB   MET  72          2HB       MET  72  -6.215 -10.403   5.841
  545   1HG   MET  72          1HG       MET  72  -5.946 -12.347   7.273
  546   2HG   MET  72          2HG       MET  72  -4.876 -12.422   5.878
  547   1HE   MET  72          1HE       MET  72  -3.768 -14.372   7.055
  548   2HE   MET  72          2HE       MET  72  -4.445 -14.265   8.681
  549   3HE   MET  72          3HE       MET  72  -2.696 -14.256   8.452
  550    HA   PRO  73           HA       PRO  73  -3.712  -7.394   4.758
  551   1HB   PRO  73          1HB       PRO  73  -2.428  -5.124   4.833
  552   2HB   PRO  73          2HB       PRO  73  -3.706  -5.397   6.035
  553   1HG   PRO  73          1HG       PRO  73  -0.736  -5.709   6.336
  554   2HG   PRO  73          2HG       PRO  73  -1.873  -4.874   7.401
  555   1HD   PRO  73          1HD       PRO  73  -1.000  -7.487   7.744
  556   2HD   PRO  73          2HD       PRO  73  -2.484  -6.803   8.452
  557    H    THR  74           H        THR  74  -1.831  -5.896   3.330
  558    HA   THR  74           HA       THR  74   0.653  -7.358   3.142
  559    HB   THR  74           HB       THR  74  -1.301  -7.357   0.839
  560    HG1  THR  74           HG1      THR  74  -1.928  -9.086   1.867
  561   1HG2  THR  74          1HG2      THR  74   1.565  -7.725   0.910
  562   2HG2  THR  74          2HG2      THR  74   0.480  -7.557  -0.469
  563   3HG2  THR  74          3HG2      THR  74   0.730  -9.139   0.272
  564    H    LEU  75           H        LEU  75   2.242  -6.239   1.954
  565    HA   LEU  75           HA       LEU  75   1.488  -3.473   1.289
  566   1HB   LEU  75          1HB       LEU  75   4.192  -4.566   2.050
  567   2HB   LEU  75          2HB       LEU  75   3.813  -2.884   1.735
  568    HG   LEU  75           HG       LEU  75   2.702  -4.530   4.008
  569   1HD1  LEU  75          1HD1      LEU  75   5.027  -2.719   3.724
  570   2HD1  LEU  75          2HD1      LEU  75   4.817  -4.146   4.736
  571   3HD1  LEU  75          3HD1      LEU  75   4.082  -2.613   5.209
  572   1HD2  LEU  75          1HD2      LEU  75   1.110  -2.857   3.302
  573   2HD2  LEU  75          2HD2      LEU  75   2.366  -1.619   3.296
  574   3HD2  LEU  75          3HD2      LEU  75   1.858  -2.352   4.817
  575    H    LEU  76           H        LEU  76   1.523  -2.905  -0.764
  576    HA   LEU  76           HA       LEU  76   3.248  -4.408  -2.619
  577   1HB   LEU  76          1HB       LEU  76   0.536  -3.163  -3.074
  578   2HB   LEU  76          2HB       LEU  76   1.567  -3.727  -4.387
  579    HG   LEU  76           HG       LEU  76   0.220  -5.363  -2.246
  580   1HD1  LEU  76          1HD1      LEU  76  -0.530  -4.630  -4.818
  581   2HD1  LEU  76          2HD1      LEU  76  -1.237  -5.905  -3.828
  582   3HD1  LEU  76          3HD1      LEU  76   0.047  -6.290  -4.974
  583   1HD2  LEU  76          1HD2      LEU  76   2.343  -6.352  -2.317
  584   2HD2  LEU  76          2HD2      LEU  76   2.500  -6.103  -4.056
  585   3HD2  LEU  76          3HD2      LEU  76   1.372  -7.310  -3.434
  586    H    LEU  77           H        LEU  77   4.739  -3.286  -3.708
  587    HA   LEU  77           HA       LEU  77   4.628  -0.349  -3.544
  588   1HB   LEU  77          1HB       LEU  77   7.000  -2.189  -3.849
  589   2HB   LEU  77          2HB       LEU  77   7.091  -0.440  -3.890
  590    HG   LEU  77           HG       LEU  77   6.224  -0.373  -1.561
  591   1HD1  LEU  77          1HD1      LEU  77   5.026  -2.290  -1.164
  592   2HD1  LEU  77          2HD1      LEU  77   6.552  -2.677  -0.371
  593   3HD1  LEU  77          3HD1      LEU  77   6.203  -3.325  -1.973
  594   1HD2  LEU  77          1HD2      LEU  77   8.640  -0.316  -2.077
  595   2HD2  LEU  77          2HD2      LEU  77   8.695  -2.068  -1.895
  596   3HD2  LEU  77          3HD2      LEU  77   8.289  -1.051  -0.513
  597    H    PHE  78           H        PHE  78   4.687   0.868  -5.332
  598    HA   PHE  78           HA       PHE  78   5.212  -0.420  -7.925
  599   1HB   PHE  78          1HB       PHE  78   2.879   1.421  -7.352
  600   2HB   PHE  78          2HB       PHE  78   3.247   0.641  -8.885
  601    HD1  PHE  78           HD1      PHE  78   3.334  -1.969  -8.834
  602    HD2  PHE  78           HD2      PHE  78   1.404   0.426  -5.893
  603    HE1  PHE  78           HE1      PHE  78   1.973  -3.905  -8.155
  604    HE2  PHE  78           HE2      PHE  78   0.041  -1.507  -5.211
  605    HZ   PHE  78           HZ       PHE  78   0.318  -3.671  -6.340
  606    H    LYS  79           H        LYS  79   6.672   0.738  -9.080
  607    HA   LYS  79           HA       LYS  79   6.950   3.605  -8.420
  608   1HB   LYS  79          1HB       LYS  79   8.980   1.558  -9.263
  609   2HB   LYS  79          2HB       LYS  79   9.281   3.273  -9.500
  610   1HG   LYS  79          1HG       LYS  79   9.033   3.655  -7.101
  611   2HG   LYS  79          2HG       LYS  79   8.721   1.939  -6.853
  612   1HD   LYS  79          1HD       LYS  79  11.036   2.477  -6.335
  613   2HD   LYS  79          2HD       LYS  79  10.945   1.413  -7.738
  614   1HE   LYS  79          1HE       LYS  79  12.578   3.201  -8.076
  615   2HE   LYS  79          2HE       LYS  79  11.245   3.318  -9.222
  616   1HZ   LYS  79          1HZ       LYS  79  10.595   5.275  -8.385
  617   2HZ   LYS  79          2HZ       LYS  79  12.154   5.356  -7.736
  618   3HZ   LYS  79          3HZ       LYS  79  10.869   4.815  -6.780
  619    H    ASN  80           H        ASN  80   6.508   5.069  -9.944
  620    HA   ASN  80           HA       ASN  80   5.806   5.944 -11.928
  621   1HB   ASN  80          1HB       ASN  80   7.992   4.130 -12.969
  622   2HB   ASN  80          2HB       ASN  80   7.276   5.473 -13.857
  623   1HD2  ASN  80          1HD2      ASN  80   8.469   7.219 -13.849
  624   2HD2  ASN  80          2HD2      ASN  80   9.518   7.740 -12.579
  625    H    GLY  81           H        GLY  81   3.838   4.478 -11.422
  626   1HA   GLY  81          1HA       GLY  81   2.162   3.105 -12.155
  627   2HA   GLY  81          2HA       GLY  81   2.674   3.624 -13.756
  628    H    LYS  82           H        LYS  82   4.852   1.845 -11.730
  629    HA   LYS  82           HA       LYS  82   4.307  -0.610 -13.255
  630   1HB   LYS  82          1HB       LYS  82   7.030   0.562 -12.647
  631   2HB   LYS  82          2HB       LYS  82   6.755  -1.017 -13.363
  632   1HG   LYS  82          1HG       LYS  82   5.735   0.004 -15.306
  633   2HG   LYS  82          2HG       LYS  82   5.940   1.601 -14.592
  634   1HD   LYS  82          1HD       LYS  82   8.371   1.286 -14.595
  635   2HD   LYS  82          2HD       LYS  82   8.158  -0.308 -15.322
  636   1HE   LYS  82          1HE       LYS  82   8.746   1.347 -17.010
  637   2HE   LYS  82          2HE       LYS  82   7.122   0.721 -17.280
  638   1HZ   LYS  82          1HZ       LYS  82   7.711   3.308 -17.279
  639   2HZ   LYS  82          2HZ       LYS  82   7.309   3.116 -15.648
  640   3HZ   LYS  82          3HZ       LYS  82   6.189   2.709 -16.847
  641    H    GLU  83           H        GLU  83   6.435  -2.043 -11.947
  642    HA   GLU  83           HA       GLU  83   5.238  -2.297  -9.276
  643   1HB   GLU  83          1HB       GLU  83   4.989  -4.247 -10.773
  644   2HB   GLU  83          2HB       GLU  83   6.732  -4.328 -10.957
  645   1HG   GLU  83          1HG       GLU  83   7.016  -4.959  -8.678
  646   2HG   GLU  83          2HG       GLU  83   5.313  -4.661  -8.327
  647    H    VAL  84           H        VAL  84   6.935  -3.361  -7.689
  648    HA   VAL  84           HA       VAL  84   9.639  -2.405  -8.100
  649    HB   VAL  84           HB       VAL  84   8.425  -1.582  -5.566
  650   1HG1  VAL  84          1HG1      VAL  84  10.791  -1.390  -5.763
  651   2HG1  VAL  84          2HG1      VAL  84  10.102   0.234  -5.781
  652   3HG1  VAL  84          3HG1      VAL  84  10.633  -0.513  -7.287
  653   1HG2  VAL  84          1HG2      VAL  84   7.604   0.479  -6.359
  654   2HG2  VAL  84          2HG2      VAL  84   6.931  -0.756  -7.416
  655   3HG2  VAL  84          3HG2      VAL  84   8.298   0.214  -7.958
  656    H    ALA  85           H        ALA  85   7.441  -3.589  -5.584
  657    HA   ALA  85           HA       ALA  85   8.816  -6.052  -5.278
  658   1HB   ALA  85          1HB       ALA  85  10.165  -4.025  -4.066
  659   2HB   ALA  85          2HB       ALA  85  10.233  -5.716  -3.567
  660   3HB   ALA  85          3HB       ALA  85   9.140  -4.598  -2.750
  661    H    LYS  86           H        LYS  86   8.203  -6.616  -2.616
  662    HA   LYS  86           HA       LYS  86   5.535  -5.850  -1.976
  663   1HB   LYS  86          1HB       LYS  86   4.413  -7.950  -2.335
  664   2HB   LYS  86          2HB       LYS  86   5.094  -7.393  -3.855
  665   1HG   LYS  86          1HG       LYS  86   6.349  -9.457  -2.069
  666   2HG   LYS  86          2HG       LYS  86   5.358  -9.812  -3.482
  667   1HD   LYS  86          1HD       LYS  86   6.989  -8.528  -4.863
  668   2HD   LYS  86          2HD       LYS  86   8.008  -8.375  -3.431
  669   1HE   LYS  86          1HE       LYS  86   8.163 -10.810  -3.279
  670   2HE   LYS  86          2HE       LYS  86   7.144 -10.965  -4.709
  671   1HZ   LYS  86          1HZ       LYS  86   9.950 -10.238  -4.499
  672   2HZ   LYS  86          2HZ       LYS  86   9.052  -9.374  -5.644
  673   3HZ   LYS  86          3HZ       LYS  86   9.131 -11.060  -5.731
  674    H    VAL  87           H        VAL  87   5.342  -5.954   0.148
  675    HA   VAL  87           HA       VAL  87   6.845  -8.016   1.610
  676    HB   VAL  87           HB       VAL  87   6.627  -5.122   2.458
  677   1HG1  VAL  87          1HG1      VAL  87   7.497  -7.589   3.813
  678   2HG1  VAL  87          2HG1      VAL  87   6.866  -6.085   4.483
  679   3HG1  VAL  87          3HG1      VAL  87   8.560  -6.195   4.004
  680   1HG2  VAL  87          1HG2      VAL  87   8.865  -4.815   1.859
  681   2HG2  VAL  87          2HG2      VAL  87   8.179  -5.708   0.502
  682   3HG2  VAL  87          3HG2      VAL  87   9.157  -6.547   1.706
  683    H    VAL  88           H        VAL  88   4.780  -9.102   1.655
  684    HA   VAL  88           HA       VAL  88   2.514  -7.928   2.926
  685    HB   VAL  88           HB       VAL  88   2.223  -9.746   1.329
  686   1HG1  VAL  88          1HG1      VAL  88   4.410 -10.883   2.475
  687   2HG1  VAL  88          2HG1      VAL  88   3.292 -11.721   1.399
  688   3HG1  VAL  88          3HG1      VAL  88   3.115 -11.871   3.148
  689   1HG2  VAL  88          1HG2      VAL  88   1.353 -11.068   3.830
  690   2HG2  VAL  88          2HG2      VAL  88   0.445 -10.666   2.375
  691   3HG2  VAL  88          3HG2      VAL  88   0.802  -9.413   3.562
  692    H    GLY  89           H        GLY  89   2.893  -7.222   4.988
  693   1HA   GLY  89          1HA       GLY  89   2.612  -8.790   7.168
  694   2HA   GLY  89          2HA       GLY  89   4.341  -8.872   6.874
  695    H    ALA  90           H        ALA  90   4.195  -6.013   5.820
  696    HA   ALA  90           HA       ALA  90   4.739  -3.962   6.675
  697   1HB   ALA  90          1HB       ALA  90   2.246  -4.743   8.107
  698   2HB   ALA  90          2HB       ALA  90   2.517  -3.454   6.934
  699   3HB   ALA  90          3HB       ALA  90   3.087  -3.271   8.593
  700    H    ASN  91           H        ASN  91   6.333  -6.038   7.672
  701    HA   ASN  91           HA       ASN  91   6.600  -6.134  10.436
  702   1HB   ASN  91          1HB       ASN  91   8.699  -6.418   8.280
  703   2HB   ASN  91          2HB       ASN  91   8.891  -6.911   9.951
  704   1HD2  ASN  91          1HD2      ASN  91   8.277  -8.025   6.974
  705   2HD2  ASN  91          2HD2      ASN  91   7.372  -9.447   7.357
  706    HA   PRO  92           HA       PRO  92   7.910  -2.066  11.639
  707   1HB   PRO  92          1HB       PRO  92   9.685  -3.673  13.438
  708   2HB   PRO  92          2HB       PRO  92   8.668  -2.274  13.818
  709   1HG   PRO  92          1HG       PRO  92   7.836  -4.694  14.465
  710   2HG   PRO  92          2HG       PRO  92   6.703  -3.526  13.756
  711   1HD   PRO  92          1HD       PRO  92   8.029  -5.886  12.490
  712   2HD   PRO  92          2HD       PRO  92   6.390  -5.245  12.246
  713    H    ALA  93           H        ALA  93  10.155  -4.599  10.737
  714    HA   ALA  93           HA       ALA  93  12.185  -2.557  10.119
  715   1HB   ALA  93          1HB       ALA  93  13.612  -4.809   9.986
  716   2HB   ALA  93          2HB       ALA  93  12.373  -5.333  11.127
  717   3HB   ALA  93          3HB       ALA  93  13.365  -3.920  11.490
  718    H    ALA  94           H        ALA  94   9.858  -3.404   8.438
  719    HA   ALA  94           HA       ALA  94  11.425  -4.026   6.052
  720   1HB   ALA  94          1HB       ALA  94  10.025  -5.736   5.293
  721   2HB   ALA  94          2HB       ALA  94   8.748  -5.318   6.434
  722   3HB   ALA  94          3HB       ALA  94  10.228  -6.086   7.009
  723    H    ILE  95           H        ILE  95   8.094  -3.232   7.066
  724    HA   ILE  95           HA       ILE  95   7.329  -1.965   4.717
  725    HB   ILE  95           HB       ILE  95   5.687  -2.472   6.370
  726   1HG1  ILE  95          1HG1      ILE  95   4.442  -0.412   6.532
  727   2HG1  ILE  95          2HG1      ILE  95   5.901   0.541   6.285
  728   1HG2  ILE  95          1HG2      ILE  95   7.496  -0.971   8.149
  729   2HG2  ILE  95          2HG2      ILE  95   6.526  -2.410   8.463
  730   3HG2  ILE  95          3HG2      ILE  95   5.769  -0.817   8.469
  731   1HD1  ILE  95          1HD1      ILE  95   5.879  -0.976   4.041
  732   2HD1  ILE  95          2HD1      ILE  95   5.181   0.636   4.172
  733   3HD1  ILE  95          3HD1      ILE  95   4.154  -0.786   4.349
  734    H    LYS  96           H        LYS  96   9.751  -1.031   6.882
  735    HA   LYS  96           HA       LYS  96   9.518   1.818   6.285
  736   1HB   LYS  96          1HB       LYS  96  11.523   0.312   7.979
  737   2HB   LYS  96          2HB       LYS  96  11.449   2.060   7.809
  738   1HG   LYS  96          1HG       LYS  96   9.236   2.076   8.829
  739   2HG   LYS  96          2HG       LYS  96   9.291   0.319   8.984
  740   1HD   LYS  96          1HD       LYS  96  11.245   0.508  10.443
  741   2HD   LYS  96          2HD       LYS  96  11.199   2.265  10.281
  742   1HE   LYS  96          1HE       LYS  96   8.984   2.303  11.315
  743   2HE   LYS  96          2HE       LYS  96   9.022   0.547  11.469
  744   1HZ   LYS  96          1HZ       LYS  96   9.698   2.034  13.462
  745   2HZ   LYS  96          2HZ       LYS  96  11.181   2.149  12.658
  746   3HZ   LYS  96          3HZ       LYS  96  10.588   0.636  13.125
  747    H    GLN  97           H        GLN  97  12.066  -0.662   6.091
  748    HA   GLN  97           HA       GLN  97  13.759   0.828   4.415
  749   1HB   GLN  97          1HB       GLN  97  13.579  -2.170   4.765
  750   2HB   GLN  97          2HB       GLN  97  14.919  -1.313   4.017
  751   1HG   GLN  97          1HG       GLN  97  15.365  -0.168   6.130
  752   2HG   GLN  97          2HG       GLN  97  14.029  -1.040   6.879
  753   1HE2  GLN  97          1HE2      GLN  97  14.669  -2.666   8.080
  754   2HE2  GLN  97          2HE2      GLN  97  16.044  -3.672   7.794
  755    H    ALA  98           H        ALA  98  11.102  -1.355   3.732
  756    HA   ALA  98           HA       ALA  98  11.576  -1.842   1.021
  757   1HB   ALA  98          1HB       ALA  98   9.717  -2.706   2.692
  758   2HB   ALA  98          2HB       ALA  98   9.472  -2.723   0.946
  759   3HB   ALA  98          3HB       ALA  98   8.773  -1.431   1.921
  760    H    ILE  99           H        ILE  99  10.299   0.951   2.658
  761    HA   ILE  99           HA       ILE  99   9.504   2.251   0.190
  762    HB   ILE  99           HB       ILE  99   9.335   3.051   3.093
  763   1HG1  ILE  99          1HG1      ILE  99   6.915   2.912   2.678
  764   2HG1  ILE  99          2HG1      ILE  99   7.227   2.471   1.005
  765   1HG2  ILE  99          1HG2      ILE  99   8.589   4.656   0.650
  766   2HG2  ILE  99          2HG2      ILE  99   9.741   5.091   1.912
  767   3HG2  ILE  99          3HG2      ILE  99   8.019   5.018   2.280
  768   1HD1  ILE  99          1HD1      ILE  99   7.731   0.341   1.521
  769   2HD1  ILE  99          2HD1      ILE  99   6.714   0.695   2.917
  770   3HD1  ILE  99          3HD1      ILE  99   8.467   0.770   3.063
  771    H    ALA 100           H        ALA 100  12.344   1.897   1.935
  772    HA   ALA 100           HA       ALA 100  13.381   4.553   1.392
  773   1HB   ALA 100          1HB       ALA 100  14.282   3.911   3.375
  774   2HB   ALA 100          2HB       ALA 100  15.531   3.279   2.303
  775   3HB   ALA 100          3HB       ALA 100  14.291   2.201   2.945
  776    H    ALA 101           H        ALA 101  14.801   1.342   0.791
  777    HA   ALA 101           HA       ALA 101  16.509   2.120  -1.245
  778   1HB   ALA 101          1HB       ALA 101  17.038  -0.076  -1.446
  779   2HB   ALA 101          2HB       ALA 101  15.352  -0.597  -1.443
  780   3HB   ALA 101          3HB       ALA 101  16.148  -0.171   0.073
  781    H    ASN 102           H        ASN 102  13.098   1.363  -1.376
  782    HA   ASN 102           HA       ASN 102  12.984   1.120  -4.222
  783   1HB   ASN 102          1HB       ASN 102  10.877   1.450  -2.082
  784   2HB   ASN 102          2HB       ASN 102  10.513   1.223  -3.795
  785   1HD2  ASN 102          1HD2      ASN 102   9.719  -0.759  -3.963
  786   2HD2  ASN 102          2HD2      ASN 102  10.452  -2.193  -3.343
  787    H    ALA 103           H        ALA 103  11.974   3.602  -1.873
  788    HA   ALA 103           HA       ALA 103  11.644   5.504  -4.082
  789   1HB   ALA 103          1HB       ALA 103  10.829   5.811  -1.196
  790   2HB   ALA 103          2HB       ALA 103   9.776   5.239  -2.488
  791   3HB   ALA 103          3HB       ALA 103  10.411   6.883  -2.532
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   0.531  12.020   4.416
    2   2H    MET   1          2H        MET   1   0.024  13.426   3.571
    3   3H    MET   1          3H        MET   1   0.425  11.998   2.705
    4    HA   MET   1           HA       MET   1  -1.738  12.108   4.683
    5   1HB   MET   1          1HB       MET   1  -3.257  12.437   2.772
    6   2HB   MET   1          2HB       MET   1  -2.161  13.795   2.971
    7   1HG   MET   1          1HG       MET   1  -0.760  12.932   1.167
    8   2HG   MET   1          2HG       MET   1  -1.862  11.571   0.968
    9   1HE   MET   1          1HE       MET   1  -4.886  13.405   1.234
   10   2HE   MET   1          2HE       MET   1  -4.315  11.841   0.653
   11   3HE   MET   1          3HE       MET   1  -5.018  12.998  -0.477
   12    H    VAL   2           H        VAL   2  -3.423  10.449   3.949
   13    HA   VAL   2           HA       VAL   2  -2.369   8.196   2.465
   14    HB   VAL   2           HB       VAL   2  -1.473   7.848   4.748
   15   1HG1  VAL   2          1HG1      VAL   2  -4.385   7.886   5.502
   16   2HG1  VAL   2          2HG1      VAL   2  -3.078   8.886   6.139
   17   3HG1  VAL   2          3HG1      VAL   2  -3.137   7.165   6.516
   18   1HG2  VAL   2          1HG2      VAL   2  -1.660   5.841   3.668
   19   2HG2  VAL   2          2HG2      VAL   2  -3.410   5.964   3.500
   20   3HG2  VAL   2          3HG2      VAL   2  -2.701   5.548   5.060
   21    H    THR   3           H        THR   3  -3.972   6.976   1.549
   22    HA   THR   3           HA       THR   3  -6.690   7.168   2.566
   23    HB   THR   3           HB       THR   3  -5.951   8.085  -0.218
   24    HG1  THR   3           HG1      THR   3  -5.614   9.705   1.272
   25   1HG2  THR   3          1HG2      THR   3  -8.393   8.761  -0.282
   26   2HG2  THR   3          2HG2      THR   3  -8.624   7.635   1.055
   27   3HG2  THR   3          3HG2      THR   3  -8.025   7.049  -0.496
   28    H    GLN   4           H        GLN   4  -8.191   5.727   1.439
   29    HA   GLN   4           HA       GLN   4  -6.850   3.249   0.629
   30   1HB   GLN   4          1HB       GLN   4  -9.786   3.702   1.175
   31   2HB   GLN   4          2HB       GLN   4  -8.943   2.163   1.101
   32   1HG   GLN   4          1HG       GLN   4  -7.741   2.676   3.123
   33   2HG   GLN   4          2HG       GLN   4  -8.468   4.280   3.185
   34   1HE2  GLN   4          1HE2      GLN   4 -10.027   4.433   4.611
   35   2HE2  GLN   4          2HE2      GLN   4 -11.128   3.183   5.066
   36    H    PHE   5           H        PHE   5  -8.382   1.951  -1.007
   37    HA   PHE   5           HA       PHE   5  -9.145   3.795  -3.170
   38   1HB   PHE   5          1HB       PHE   5  -7.633   1.194  -3.413
   39   2HB   PHE   5          2HB       PHE   5  -8.401   2.005  -4.785
   40    HD1  PHE   5           HD1      PHE   5  -7.740   4.854  -3.847
   41    HD2  PHE   5           HD2      PHE   5  -5.407   1.310  -4.210
   42    HE1  PHE   5           HE1      PHE   5  -5.727   6.222  -4.215
   43    HE2  PHE   5           HE2      PHE   5  -3.395   2.675  -4.577
   44    HZ   PHE   5           HZ       PHE   5  -3.551   5.130  -4.579
   45    H    LYS   6           H        LYS   6 -11.126   3.569  -3.921
   46    HA   LYS   6           HA       LYS   6 -12.641   1.164  -3.162
   47   1HB   LYS   6          1HB       LYS   6 -13.647   3.926  -3.872
   48   2HB   LYS   6          2HB       LYS   6 -14.657   2.555  -3.431
   49   1HG   LYS   6          1HG       LYS   6 -12.622   3.891  -1.659
   50   2HG   LYS   6          2HG       LYS   6 -14.373   4.084  -1.564
   51   1HD   LYS   6          1HD       LYS   6 -14.608   1.698  -1.069
   52   2HD   LYS   6          2HD       LYS   6 -12.857   1.503  -1.169
   53   1HE   LYS   6          1HE       LYS   6 -13.589   1.668   1.152
   54   2HE   LYS   6          2HE       LYS   6 -12.573   3.040   0.707
   55   1HZ   LYS   6          1HZ       LYS   6 -14.467   4.434   0.541
   56   2HZ   LYS   6          2HZ       LYS   6 -14.603   3.609   2.011
   57   3HZ   LYS   6          3HZ       LYS   6 -15.538   3.132   0.685
   58    H    THR   7           H        THR   7 -11.565   3.122  -5.812
   59    HA   THR   7           HA       THR   7 -12.747   1.187  -7.675
   60    HB   THR   7           HB       THR   7 -13.214   3.023  -9.270
   61    HG1  THR   7           HG1      THR   7 -12.350   4.874  -8.863
   62   1HG2  THR   7          1HG2      THR   7 -14.592   3.669  -6.687
   63   2HG2  THR   7          2HG2      THR   7 -14.962   2.223  -7.628
   64   3HG2  THR   7          3HG2      THR   7 -15.208   3.822  -8.333
   65    H    ALA   8           H        ALA   8 -11.315   0.380  -9.079
   66    HA   ALA   8           HA       ALA   8  -8.599   0.785  -8.884
   67   1HB   ALA   8          1HB       ALA   8  -9.145  -1.169  -9.968
   68   2HB   ALA   8          2HB       ALA   8  -8.607  -0.169 -11.317
   69   3HB   ALA   8          3HB       ALA   8 -10.330  -0.384 -11.012
   70    H    SER   9           H        SER   9 -10.917   2.667 -10.637
   71    HA   SER   9           HA       SER   9  -9.200   3.910 -12.481
   72   1HB   SER   9          1HB       SER   9 -11.639   4.082 -12.646
   73   2HB   SER   9          2HB       SER   9 -11.689   5.008 -11.145
   74    HG   SER   9           HG       SER   9 -10.619   6.676 -12.160
   75    H    GLU  10           H        GLU  10  -9.384   4.159  -9.081
   76    HA   GLU  10           HA       GLU  10  -8.198   6.788  -8.986
   77   1HB   GLU  10          1HB       GLU  10  -8.949   4.880  -6.783
   78   2HB   GLU  10          2HB       GLU  10  -8.300   6.493  -6.525
   79   1HG   GLU  10          1HG       GLU  10 -10.883   5.864  -7.935
   80   2HG   GLU  10          2HG       GLU  10 -10.734   6.400  -6.262
   81    H    PHE  11           H        PHE  11  -7.351   3.474  -8.272
   82    HA   PHE  11           HA       PHE  11  -4.711   4.116  -7.388
   83   1HB   PHE  11          1HB       PHE  11  -6.051   2.116  -6.626
   84   2HB   PHE  11          2HB       PHE  11  -5.751   1.404  -8.206
   85    HD1  PHE  11           HD1      PHE  11  -4.892  -0.375  -6.441
   86    HD2  PHE  11           HD2      PHE  11  -2.929   3.292  -7.350
   87    HE1  PHE  11           HE1      PHE  11  -2.772  -1.300  -5.603
   88    HE2  PHE  11           HE2      PHE  11  -0.812   2.370  -6.523
   89    HZ   PHE  11           HZ       PHE  11  -0.731   0.075  -5.645
   90    H    ASP  12           H        ASP  12  -6.216   3.285 -10.409
   91    HA   ASP  12           HA       ASP  12  -4.116   2.286 -11.891
   92   1HB   ASP  12          1HB       ASP  12  -6.412   2.445 -12.737
   93   2HB   ASP  12          2HB       ASP  12  -6.270   4.198 -12.820
   94    H    SER  13           H        SER  13  -5.053   5.729 -11.689
   95    HA   SER  13           HA       SER  13  -2.719   6.623 -13.050
   96   1HB   SER  13          1HB       SER  13  -4.786   7.929 -13.086
   97   2HB   SER  13          2HB       SER  13  -4.690   8.159 -11.340
   98    HG   SER  13           HG       SER  13  -3.278   9.391 -13.379
   99    H    ALA  14           H        ALA  14  -3.413   5.868  -9.752
  100    HA   ALA  14           HA       ALA  14  -1.607   7.492  -8.397
  101   1HB   ALA  14          1HB       ALA  14  -1.601   4.938  -7.155
  102   2HB   ALA  14          2HB       ALA  14  -3.215   5.237  -7.797
  103   3HB   ALA  14          3HB       ALA  14  -2.483   6.392  -6.686
  104    H    ILE  15           H        ILE  15  -1.070   4.333  -9.931
  105    HA   ILE  15           HA       ILE  15   1.720   4.313  -9.200
  106    HB   ILE  15           HB       ILE  15   1.873   2.248 -10.501
  107   1HG1  ILE  15          1HG1      ILE  15  -1.030   2.802 -11.165
  108   2HG1  ILE  15          2HG1      ILE  15   0.312   2.729 -12.302
  109   1HG2  ILE  15          1HG2      ILE  15   0.982   2.397  -8.118
  110   2HG2  ILE  15          2HG2      ILE  15   0.667   0.908  -9.009
  111   3HG2  ILE  15          3HG2      ILE  15  -0.610   2.109  -8.821
  112   1HD1  ILE  15          1HD1      ILE  15   0.090   0.540 -12.524
  113   2HD1  ILE  15          2HD1      ILE  15  -1.393   0.662 -11.576
  114   3HD1  ILE  15          3HD1      ILE  15   0.135   0.295 -10.777
  115    H    ALA  16           H        ALA  16  -0.083   4.619 -12.257
  116    HA   ALA  16           HA       ALA  16   1.953   4.812 -14.049
  117   1HB   ALA  16          1HB       ALA  16  -0.706   5.178 -14.201
  118   2HB   ALA  16          2HB       ALA  16   0.411   5.557 -15.512
  119   3HB   ALA  16          3HB       ALA  16  -0.151   6.835 -14.435
  120    H    GLN  17           H        GLN  17   3.818   5.831 -13.629
  121    HA   GLN  17           HA       GLN  17   5.310   7.473 -13.081
  122   1HB   GLN  17          1HB       GLN  17   3.313   9.086 -14.679
  123   2HB   GLN  17          2HB       GLN  17   4.970   9.569 -14.339
  124   1HG   GLN  17          1HG       GLN  17   5.793   7.639 -15.586
  125   2HG   GLN  17          2HG       GLN  17   4.129   7.151 -15.927
  126   1HE2  GLN  17          1HE2      GLN  17   6.735   8.609 -17.216
  127   2HE2  GLN  17          2HE2      GLN  17   5.970   9.623 -18.388
  128    H    ASP  18           H        ASP  18   5.048   7.579 -10.833
  129    HA   ASP  18           HA       ASP  18   4.279  10.103  -9.837
  130   1HB   ASP  18          1HB       ASP  18   2.018   9.173 -10.147
  131   2HB   ASP  18          2HB       ASP  18   2.443   7.814  -9.112
  132    H    LYS  19           H        LYS  19   6.586   8.509  -9.677
  133    HA   LYS  19           HA       LYS  19   8.170   7.865  -8.166
  134   1HB   LYS  19          1HB       LYS  19   6.249   9.203  -6.269
  135   2HB   LYS  19          2HB       LYS  19   7.865   8.692  -5.823
  136   1HG   LYS  19          1HG       LYS  19   8.019  10.991  -6.231
  137   2HG   LYS  19          2HG       LYS  19   8.724  10.203  -7.644
  138   1HD   LYS  19          1HD       LYS  19   7.306  12.051  -8.324
  139   2HD   LYS  19          2HD       LYS  19   6.607  10.526  -8.860
  140   1HE   LYS  19          1HE       LYS  19   5.073  10.562  -6.954
  141   2HE   LYS  19          2HE       LYS  19   5.784  12.081  -6.409
  142   1HZ   LYS  19          1HZ       LYS  19   3.898  11.582  -8.554
  143   2HZ   LYS  19          2HZ       LYS  19   5.120  12.694  -8.917
  144   3HZ   LYS  19          3HZ       LYS  19   4.104  12.957  -7.590
  145    H    LEU  20           H        LEU  20   7.759   6.973  -5.471
  146    HA   LEU  20           HA       LEU  20   6.623   4.353  -6.070
  147   1HB   LEU  20          1HB       LEU  20   8.869   4.306  -5.219
  148   2HB   LEU  20          2HB       LEU  20   8.424   5.337  -3.859
  149    HG   LEU  20           HG       LEU  20   6.953   3.511  -3.021
  150   1HD1  LEU  20          1HD1      LEU  20   6.558   1.635  -4.146
  151   2HD1  LEU  20          2HD1      LEU  20   8.258   1.425  -4.568
  152   3HD1  LEU  20          3HD1      LEU  20   7.229   2.469  -5.548
  153   1HD2  LEU  20          1HD2      LEU  20   9.018   1.919  -2.593
  154   2HD2  LEU  20          2HD2      LEU  20   8.906   3.512  -1.848
  155   3HD2  LEU  20          3HD2      LEU  20   9.901   3.279  -3.284
  156    H    VAL  21           H        VAL  21   4.624   3.976  -5.477
  157    HA   VAL  21           HA       VAL  21   3.459   5.472  -3.245
  158    HB   VAL  21           HB       VAL  21   2.057   3.742  -5.290
  159   1HG1  VAL  21          1HG1      VAL  21   0.777   5.841  -3.585
  160   2HG1  VAL  21          2HG1      VAL  21   1.025   4.210  -2.965
  161   3HG1  VAL  21          3HG1      VAL  21   0.039   4.466  -4.405
  162   1HG2  VAL  21          1HG2      VAL  21   3.238   6.229  -5.695
  163   2HG2  VAL  21          2HG2      VAL  21   1.527   6.582  -5.455
  164   3HG2  VAL  21          3HG2      VAL  21   2.025   5.455  -6.715
  165    H    VAL  22           H        VAL  22   2.826   4.507  -1.399
  166    HA   VAL  22           HA       VAL  22   3.425   1.651  -1.114
  167    HB   VAL  22           HB       VAL  22   2.908   3.690   1.055
  168   1HG1  VAL  22          1HG1      VAL  22   3.200   2.066   2.577
  169   2HG1  VAL  22          2HG1      VAL  22   4.468   1.276   1.639
  170   3HG1  VAL  22          3HG1      VAL  22   2.772   0.984   1.252
  171   1HG2  VAL  22          1HG2      VAL  22   5.250   3.911   1.333
  172   2HG2  VAL  22          2HG2      VAL  22   4.932   4.119  -0.388
  173   3HG2  VAL  22          3HG2      VAL  22   5.577   2.592   0.210
  174    H    VAL  23           H        VAL  23   1.493   0.911  -2.115
  175    HA   VAL  23           HA       VAL  23  -1.002   1.491  -0.691
  176    HB   VAL  23           HB       VAL  23  -0.636   0.004  -3.293
  177   1HG1  VAL  23          1HG1      VAL  23  -3.112   1.206  -2.057
  178   2HG1  VAL  23          2HG1      VAL  23  -2.706  -0.511  -2.052
  179   3HG1  VAL  23          3HG1      VAL  23  -3.018   0.319  -3.578
  180   1HG2  VAL  23          1HG2      VAL  23  -0.254   2.721  -2.817
  181   2HG2  VAL  23          2HG2      VAL  23  -1.874   2.604  -3.496
  182   3HG2  VAL  23          3HG2      VAL  23  -0.500   1.941  -4.378
  183    H    ASP  24           H        ASP  24  -1.679   0.105   0.805
  184    HA   ASP  24           HA       ASP  24  -0.598  -2.597   0.833
  185   1HB   ASP  24          1HB       ASP  24  -2.186  -1.135   2.949
  186   2HB   ASP  24          2HB       ASP  24  -1.274  -2.623   3.138
  187    H    PHE  25           H        PHE  25  -1.866  -4.396   0.654
  188    HA   PHE  25           HA       PHE  25  -4.647  -3.987  -0.117
  189   1HB   PHE  25          1HB       PHE  25  -2.657  -6.215  -0.519
  190   2HB   PHE  25          2HB       PHE  25  -4.374  -6.424  -0.859
  191    HD1  PHE  25           HD1      PHE  25  -1.886  -3.715  -1.584
  192    HD2  PHE  25           HD2      PHE  25  -4.801  -6.431  -3.059
  193    HE1  PHE  25           HE1      PHE  25  -1.519  -2.857  -3.862
  194    HE2  PHE  25           HE2      PHE  25  -4.461  -5.574  -5.329
  195    HZ   PHE  25           HZ       PHE  25  -2.822  -3.779  -5.741
  196    H    TYR  26           H        TYR  26  -4.476  -3.634   2.507
  197    HA   TYR  26           HA       TYR  26  -4.451  -5.806   4.207
  198   1HB   TYR  26          1HB       TYR  26  -6.065  -4.406   5.627
  199   2HB   TYR  26          2HB       TYR  26  -4.499  -3.703   5.242
  200    HD1  TYR  26           HD1      TYR  26  -7.835  -3.866   3.529
  201    HD2  TYR  26           HD2      TYR  26  -4.607  -1.441   4.867
  202    HE1  TYR  26           HE1      TYR  26  -8.948  -1.886   2.599
  203    HE2  TYR  26           HE2      TYR  26  -5.716   0.544   3.962
  204    HH   TYR  26           HH       TYR  26  -7.606   0.807   1.879
  205    H    ALA  27           H        ALA  27  -5.840  -7.359   4.832
  206    HA   ALA  27           HA       ALA  27  -7.898  -8.120   3.053
  207   1HB   ALA  27          1HB       ALA  27  -6.799  -9.854   4.216
  208   2HB   ALA  27          2HB       ALA  27  -8.437  -9.806   4.870
  209   3HB   ALA  27          3HB       ALA  27  -7.104  -9.100   5.783
  210    H    THR  28           H        THR  28 -10.048  -7.785   3.087
  211    HA   THR  28           HA       THR  28 -11.139  -5.637   4.475
  212    HB   THR  28           HB       THR  28 -12.175  -6.375   2.460
  213    HG1  THR  28           HG1      THR  28 -14.365  -6.728   3.249
  214   1HG2  THR  28          1HG2      THR  28 -12.799  -8.967   3.858
  215   2HG2  THR  28          2HG2      THR  28 -11.677  -8.745   2.516
  216   3HG2  THR  28          3HG2      THR  28 -13.403  -8.481   2.274
  217    H    TRP  29           H        TRP  29 -10.550  -8.823   5.533
  218    HA   TRP  29           HA       TRP  29 -12.372  -8.501   7.810
  219   1HB   TRP  29          1HB       TRP  29 -11.980 -11.022   8.080
  220   2HB   TRP  29          2HB       TRP  29 -12.923 -10.507   6.676
  221    HD1  TRP  29           HD1      TRP  29 -11.424 -10.328   4.304
  222    HE1  TRP  29           HE1      TRP  29  -9.592 -11.919   3.453
  223    HE3  TRP  29           HE3      TRP  29 -10.214 -12.625   8.716
  224    HZ2  TRP  29           HZ2      TRP  29  -7.860 -13.871   4.503
  225    HZ3  TRP  29           HZ3      TRP  29  -8.454 -14.325   8.709
  226    HH2  TRP  29           HH2      TRP  29  -7.299 -14.946   6.642
  227    H    CYS  30           H        CYS  30 -10.345 -10.897   8.664
  228    HA   CYS  30           HA       CYS  30  -8.661 -11.161  10.126
  229   1HB   CYS  30          1HB       CYS  30  -7.260 -10.237   8.393
  230   2HB   CYS  30          2HB       CYS  30  -7.748  -8.602   8.823
  231    HG   CYS  30           HG       CYS  30  -5.875  -8.549  10.396
  232    H    GLY  31           H        GLY  31  -8.622  -7.605  10.241
  233   1HA   GLY  31          1HA       GLY  31 -10.231  -6.741  12.091
  234   2HA   GLY  31          2HA       GLY  31  -9.253  -7.790  13.104
  235    HA   PRO  32           HA       PRO  32  -6.332  -4.610  13.904
  236   1HB   PRO  32          1HB       PRO  32  -3.914  -5.832  13.382
  237   2HB   PRO  32          2HB       PRO  32  -4.840  -6.028  14.872
  238   1HG   PRO  32          1HG       PRO  32  -4.708  -7.810  12.474
  239   2HG   PRO  32          2HG       PRO  32  -4.739  -8.243  14.195
  240   1HD   PRO  32          1HD       PRO  32  -6.930  -8.447  12.665
  241   2HD   PRO  32          2HD       PRO  32  -7.032  -7.929  14.361
  242    H    CYS  33           H        CYS  33  -6.300  -6.114  10.782
  243    HA   CYS  33           HA       CYS  33  -4.345  -4.701   9.435
  244   1HB   CYS  33          1HB       CYS  33  -7.039  -5.680   8.485
  245   2HB   CYS  33          2HB       CYS  33  -5.815  -5.004   7.402
  246    HG   CYS  33           HG       CYS  33  -4.286  -7.074   8.419
  247    H    LYS  34           H        LYS  34  -7.417  -3.571  10.607
  248    HA   LYS  34           HA       LYS  34  -7.481  -1.223   8.945
  249   1HB   LYS  34          1HB       LYS  34  -9.561  -2.221   9.740
  250   2HB   LYS  34          2HB       LYS  34  -9.078  -1.948  11.408
  251   1HG   LYS  34          1HG       LYS  34 -10.697  -0.293  10.688
  252   2HG   LYS  34          2HG       LYS  34  -9.142   0.463  11.037
  253   1HD   LYS  34          1HD       LYS  34  -8.624   0.502   8.646
  254   2HD   LYS  34          2HD       LYS  34 -10.176  -0.263   8.295
  255   1HE   LYS  34          1HE       LYS  34  -9.775   2.430   9.595
  256   2HE   LYS  34          2HE       LYS  34 -10.270   2.150   7.926
  257   1HZ   LYS  34          1HZ       LYS  34 -11.793   1.655  10.406
  258   2HZ   LYS  34          2HZ       LYS  34 -12.195   0.859   8.969
  259   3HZ   LYS  34          3HZ       LYS  34 -12.248   2.548   9.042
  260    H    MET  35           H        MET  35  -6.120  -2.062  12.018
  261    HA   MET  35           HA       MET  35  -5.892   0.600  13.032
  262   1HB   MET  35          1HB       MET  35  -4.316  -1.879  13.751
  263   2HB   MET  35          2HB       MET  35  -4.370  -0.388  14.682
  264   1HG   MET  35          1HG       MET  35  -6.710  -2.195  14.126
  265   2HG   MET  35          2HG       MET  35  -5.799  -2.121  15.630
  266   1HE   MET  35          1HE       MET  35  -5.421  -0.000  16.911
  267   2HE   MET  35          2HE       MET  35  -6.652   1.239  17.152
  268   3HE   MET  35          3HE       MET  35  -5.514   1.376  15.811
  269    H    ILE  36           H        ILE  36  -4.472  -0.799  10.424
  270    HA   ILE  36           HA       ILE  36  -1.814   0.292  10.741
  271    HB   ILE  36           HB       ILE  36  -3.170  -1.124   8.452
  272   1HG1  ILE  36          1HG1      ILE  36  -1.039  -1.952  10.430
  273   2HG1  ILE  36          2HG1      ILE  36  -2.689  -2.558  10.344
  274   1HG2  ILE  36          1HG2      ILE  36  -0.633   0.348   8.569
  275   2HG2  ILE  36          2HG2      ILE  36  -1.664  -0.045   7.194
  276   3HG2  ILE  36          3HG2      ILE  36  -0.553  -1.254   7.836
  277   1HD1  ILE  36          1HD1      ILE  36  -0.362  -3.140   8.587
  278   2HD1  ILE  36          2HD1      ILE  36  -1.999  -3.279   7.945
  279   3HD1  ILE  36          3HD1      ILE  36  -1.515  -4.244   9.340
  280    H    ALA  37           H        ALA  37  -4.839   1.300   9.399
  281    HA   ALA  37           HA       ALA  37  -4.088   3.048   7.398
  282   1HB   ALA  37          1HB       ALA  37  -6.435   2.401   8.354
  283   2HB   ALA  37          2HB       ALA  37  -6.198   3.947   7.539
  284   3HB   ALA  37          3HB       ALA  37  -6.231   3.875   9.301
  285    HA   PRO  38           HA       PRO  38  -3.345   6.496  10.675
  286   1HB   PRO  38          1HB       PRO  38  -2.787   5.721  13.220
  287   2HB   PRO  38          2HB       PRO  38  -4.425   6.093  12.662
  288   1HG   PRO  38          1HG       PRO  38  -3.123   3.451  13.103
  289   2HG   PRO  38          2HG       PRO  38  -4.802   3.940  13.386
  290   1HD   PRO  38          1HD       PRO  38  -3.940   2.496  11.215
  291   2HD   PRO  38          2HD       PRO  38  -5.413   3.469  11.235
  292    H    MET  39           H        MET  39  -1.700   3.412  11.150
  293    HA   MET  39           HA       MET  39   0.852   4.491  11.759
  294   1HB   MET  39          1HB       MET  39   0.280   2.155  12.238
  295   2HB   MET  39          2HB       MET  39   0.110   1.823  10.528
  296   1HG   MET  39          1HG       MET  39   2.464   2.303  10.228
  297   2HG   MET  39          2HG       MET  39   2.635   2.625  11.944
  298   1HE   MET  39          1HE       MET  39   4.484   0.633  10.396
  299   2HE   MET  39          2HE       MET  39   4.514  -0.796  11.432
  300   3HE   MET  39          3HE       MET  39   4.632   0.813  12.144
  301    H    ILE  40           H        ILE  40  -0.565   3.202   8.766
  302    HA   ILE  40           HA       ILE  40   1.489   3.639   6.989
  303    HB   ILE  40           HB       ILE  40  -1.495   3.940   6.582
  304   1HG1  ILE  40          1HG1      ILE  40   0.420   1.714   5.861
  305   2HG1  ILE  40          2HG1      ILE  40  -0.683   1.711   7.230
  306   1HG2  ILE  40          1HG2      ILE  40  -0.276   5.213   4.858
  307   2HG2  ILE  40          2HG2      ILE  40  -1.094   3.802   4.185
  308   3HG2  ILE  40          3HG2      ILE  40   0.648   3.765   4.457
  309   1HD1  ILE  40          1HD1      ILE  40  -1.407   0.434   5.172
  310   2HD1  ILE  40          2HD1      ILE  40  -1.645   2.005   4.408
  311   3HD1  ILE  40          3HD1      ILE  40  -2.572   1.572   5.845
  312    H    GLU  41           H        GLU  41  -0.629   5.946   8.498
  313    HA   GLU  41           HA       GLU  41   0.008   8.137   6.764
  314   1HB   GLU  41          1HB       GLU  41  -2.115   8.070   7.947
  315   2HB   GLU  41          2HB       GLU  41  -1.283   8.043   9.496
  316   1HG   GLU  41          1HG       GLU  41  -0.406  10.284   9.057
  317   2HG   GLU  41          2HG       GLU  41  -1.244  10.305   7.506
  318    H    LYS  42           H        LYS  42   1.232   6.860   9.780
  319    HA   LYS  42           HA       LYS  42   2.761   9.106  10.552
  320   1HB   LYS  42          1HB       LYS  42   3.058   6.176  11.230
  321   2HB   LYS  42          2HB       LYS  42   3.975   7.465  12.001
  322   1HG   LYS  42          1HG       LYS  42   1.894   8.448  12.813
  323   2HG   LYS  42          2HG       LYS  42   0.987   7.139  12.049
  324   1HD   LYS  42          1HD       LYS  42   2.152   5.509  13.446
  325   2HD   LYS  42          2HD       LYS  42   3.077   6.812  14.203
  326   1HE   LYS  42          1HE       LYS  42   1.002   7.792  15.032
  327   2HE   LYS  42          2HE       LYS  42   0.085   6.488  14.282
  328   1HZ   LYS  42          1HZ       LYS  42   1.705   5.037  15.727
  329   2HZ   LYS  42          2HZ       LYS  42   0.287   5.682  16.387
  330   3HZ   LYS  42          3HZ       LYS  42   1.773   6.439  16.672
  331    H    PHE  43           H        PHE  43   3.264   6.732   8.118
  332    HA   PHE  43           HA       PHE  43   6.133   7.171   8.041
  333   1HB   PHE  43          1HB       PHE  43   4.320   5.425   6.379
  334   2HB   PHE  43          2HB       PHE  43   6.057   5.562   6.112
  335    HD1  PHE  43           HD1      PHE  43   3.799   5.052   9.044
  336    HD2  PHE  43           HD2      PHE  43   7.276   3.812   6.926
  337    HE1  PHE  43           HE1      PHE  43   4.190   3.297  10.722
  338    HE2  PHE  43           HE2      PHE  43   7.673   2.052   8.601
  339    HZ   PHE  43           HZ       PHE  43   6.128   1.793  10.502
  340    H    SER  44           H        SER  44   3.280   8.253   6.418
  341    HA   SER  44           HA       SER  44   4.381   9.144   4.021
  342   1HB   SER  44          1HB       SER  44   2.082  10.275   5.635
  343   2HB   SER  44          2HB       SER  44   2.420  10.636   3.941
  344    HG   SER  44           HG       SER  44   1.952   8.027   4.934
  345    H    GLU  45           H        GLU  45   4.879  10.267   7.207
  346    HA   GLU  45           HA       GLU  45   5.571  12.972   6.420
  347   1HB   GLU  45          1HB       GLU  45   5.861  11.553   9.075
  348   2HB   GLU  45          2HB       GLU  45   6.158  13.263   8.802
  349   1HG   GLU  45          1HG       GLU  45   3.815  13.571   8.181
  350   2HG   GLU  45          2HG       GLU  45   3.519  11.855   8.457
  351    H    GLN  46           H        GLN  46   7.108   9.924   6.737
  352    HA   GLN  46           HA       GLN  46   9.776  11.051   6.992
  353   1HB   GLN  46          1HB       GLN  46   8.937   8.173   6.647
  354   2HB   GLN  46          2HB       GLN  46  10.529   8.751   7.123
  355   1HG   GLN  46          1HG       GLN  46   8.014   9.202   8.694
  356   2HG   GLN  46          2HG       GLN  46   9.163   7.899   8.998
  357   1HE2  GLN  46          1HE2      GLN  46   8.214  10.812  10.045
  358   2HE2  GLN  46          2HE2      GLN  46   9.705  11.398  10.734
  359    H    TYR  47           H        TYR  47   7.762   9.431   4.579
  360    HA   TYR  47           HA       TYR  47   9.841  10.048   2.584
  361   1HB   TYR  47          1HB       TYR  47   7.917   7.717   2.569
  362   2HB   TYR  47          2HB       TYR  47   9.098   8.080   1.314
  363    HD1  TYR  47           HD1      TYR  47  11.591   8.210   2.114
  364    HD2  TYR  47           HD2      TYR  47   8.486   6.263   4.271
  365    HE1  TYR  47           HE1      TYR  47  13.273   6.879   3.319
  366    HE2  TYR  47           HE2      TYR  47  10.158   4.917   5.478
  367    HH   TYR  47           HH       TYR  47  12.448   4.165   5.222
  368    HA   PRO  48           HA       PRO  48   5.452  12.197   2.086
  369   1HB   PRO  48          1HB       PRO  48   7.569  14.235   1.528
  370   2HB   PRO  48          2HB       PRO  48   5.957  14.458   2.216
  371   1HG   PRO  48          1HG       PRO  48   8.185  14.350   3.745
  372   2HG   PRO  48          2HG       PRO  48   6.607  13.776   4.308
  373   1HD   PRO  48          1HD       PRO  48   9.013  12.235   3.679
  374   2HD   PRO  48          2HD       PRO  48   7.538  11.720   4.519
  375    H    GLN  49           H        GLN  49   8.457  12.080   0.270
  376    HA   GLN  49           HA       GLN  49   7.521  12.948  -2.213
  377   1HB   GLN  49          1HB       GLN  49   9.659  10.884  -1.644
  378   2HB   GLN  49          2HB       GLN  49   9.416  11.696  -3.186
  379   1HG   GLN  49          1HG       GLN  49  10.166  13.025  -0.590
  380   2HG   GLN  49          2HG       GLN  49  11.258  12.674  -1.929
  381   1HE2  GLN  49          1HE2      GLN  49  11.688  14.357  -3.141
  382   2HE2  GLN  49          2HE2      GLN  49  10.630  15.684  -3.468
  383    H    ALA  50           H        ALA  50   7.384   9.804  -0.676
  384    HA   ALA  50           HA       ALA  50   6.152   8.569  -3.004
  385   1HB   ALA  50          1HB       ALA  50   6.020   6.629  -1.202
  386   2HB   ALA  50          2HB       ALA  50   7.263   7.609  -0.421
  387   3HB   ALA  50          3HB       ALA  50   7.517   7.004  -2.058
  388    H    ASP  51           H        ASP  51   4.021   7.890  -3.103
  389    HA   ASP  51           HA       ASP  51   2.214   9.226  -1.254
  390   1HB   ASP  51          1HB       ASP  51   1.655   7.684  -3.797
  391   2HB   ASP  51          2HB       ASP  51   0.445   8.542  -2.846
  392    H    PHE  52           H        PHE  52   1.349   8.240   0.429
  393    HA   PHE  52           HA       PHE  52   1.522   5.332   0.609
  394   1HB   PHE  52          1HB       PHE  52   0.947   7.457   2.680
  395   2HB   PHE  52          2HB       PHE  52   0.889   5.720   3.016
  396    HD1  PHE  52           HD1      PHE  52   3.225   8.135   1.370
  397    HD2  PHE  52           HD2      PHE  52   2.735   4.853   4.033
  398    HE1  PHE  52           HE1      PHE  52   5.645   8.140   1.817
  399    HE2  PHE  52           HE2      PHE  52   5.153   4.852   4.485
  400    HZ   PHE  52           HZ       PHE  52   6.611   6.496   3.377
  401    H    TYR  53           H        TYR  53  -0.189   4.793  -0.794
  402    HA   TYR  53           HA       TYR  53  -2.877   5.579   0.064
  403   1HB   TYR  53          1HB       TYR  53  -1.787   4.362  -2.460
  404   2HB   TYR  53          2HB       TYR  53  -3.504   4.262  -2.085
  405    HD1  TYR  53           HD1      TYR  53  -4.522   6.645  -1.314
  406    HD2  TYR  53           HD2      TYR  53  -1.140   6.091  -3.834
  407    HE1  TYR  53           HE1      TYR  53  -4.868   8.885  -2.265
  408    HE2  TYR  53           HE2      TYR  53  -1.471   8.330  -4.788
  409    HH   TYR  53           HH       TYR  53  -4.321  10.157  -4.233
  410    H    LYS  54           H        LYS  54  -4.460   3.547  -0.518
  411    HA   LYS  54           HA       LYS  54  -3.356   1.086   0.540
  412   1HB   LYS  54          1HB       LYS  54  -5.624   2.496   1.954
  413   2HB   LYS  54          2HB       LYS  54  -4.949   0.929   2.373
  414   1HG   LYS  54          1HG       LYS  54  -2.777   2.027   2.818
  415   2HG   LYS  54          2HG       LYS  54  -3.545   3.586   2.520
  416   1HD   LYS  54          1HD       LYS  54  -4.273   1.611   4.683
  417   2HD   LYS  54          2HD       LYS  54  -3.422   3.140   4.904
  418   1HE   LYS  54          1HE       LYS  54  -6.234   2.819   3.877
  419   2HE   LYS  54          2HE       LYS  54  -5.789   3.319   5.506
  420   1HZ   LYS  54          1HZ       LYS  54  -6.380   5.157   3.942
  421   2HZ   LYS  54          2HZ       LYS  54  -4.971   4.808   3.077
  422   3HZ   LYS  54          3HZ       LYS  54  -4.869   5.319   4.686
  423    H    LEU  55           H        LEU  55  -4.362  -0.683  -0.207
  424    HA   LEU  55           HA       LEU  55  -6.525  -0.263  -2.112
  425   1HB   LEU  55          1HB       LEU  55  -4.405  -1.558  -2.627
  426   2HB   LEU  55          2HB       LEU  55  -5.010  -2.804  -1.557
  427    HG   LEU  55           HG       LEU  55  -5.405  -3.292  -3.950
  428   1HD1  LEU  55          1HD1      LEU  55  -8.149  -2.951  -2.982
  429   2HD1  LEU  55          2HD1      LEU  55  -7.059  -3.746  -1.846
  430   3HD1  LEU  55          3HD1      LEU  55  -7.281  -4.409  -3.464
  431   1HD2  LEU  55          1HD2      LEU  55  -6.905  -2.028  -5.264
  432   2HD2  LEU  55          2HD2      LEU  55  -5.784  -0.870  -4.547
  433   3HD2  LEU  55          3HD2      LEU  55  -7.408  -1.054  -3.883
  434    H    ASP  56           H        ASP  56  -8.530  -1.153  -1.970
  435    HA   ASP  56           HA       ASP  56  -9.280  -2.184   0.659
  436   1HB   ASP  56          1HB       ASP  56 -10.518  -0.263  -0.479
  437   2HB   ASP  56          2HB       ASP  56 -11.140  -1.466  -1.609
  438    H    VAL  57           H        VAL  57  -9.235  -4.323   0.907
  439    HA   VAL  57           HA       VAL  57  -9.343  -6.136  -1.298
  440    HB   VAL  57           HB       VAL  57  -9.316  -6.575   1.692
  441   1HG1  VAL  57          1HG1      VAL  57 -10.523  -8.451   0.818
  442   2HG1  VAL  57          2HG1      VAL  57  -8.869  -8.982   1.127
  443   3HG1  VAL  57          3HG1      VAL  57  -9.390  -8.630  -0.521
  444   1HG2  VAL  57          1HG2      VAL  57  -7.263  -7.148  -0.451
  445   2HG2  VAL  57          2HG2      VAL  57  -7.055  -7.345   1.290
  446   3HG2  VAL  57          3HG2      VAL  57  -7.261  -5.733   0.603
  447    H    ASP  58           H        ASP  58 -11.755  -4.482   0.313
  448    HA   ASP  58           HA       ASP  58 -13.751  -6.598  -0.027
  449   1HB   ASP  58          1HB       ASP  58 -13.741  -5.279   2.087
  450   2HB   ASP  58          2HB       ASP  58 -14.079  -3.830   1.154
  451    H    GLU  59           H        GLU  59 -13.462  -3.129  -0.765
  452    HA   GLU  59           HA       GLU  59 -15.522  -3.132  -2.702
  453   1HB   GLU  59          1HB       GLU  59 -14.750  -1.124  -1.451
  454   2HB   GLU  59          2HB       GLU  59 -13.256  -1.151  -2.379
  455   1HG   GLU  59          1HG       GLU  59 -14.740   0.483  -3.314
  456   2HG   GLU  59          2HG       GLU  59 -14.581  -0.861  -4.443
  457    H    LEU  60           H        LEU  60 -12.060  -3.638  -2.862
  458    HA   LEU  60           HA       LEU  60 -12.315  -4.111  -5.760
  459   1HB   LEU  60          1HB       LEU  60  -9.921  -3.102  -4.224
  460   2HB   LEU  60          2HB       LEU  60  -9.889  -3.565  -5.913
  461    HG   LEU  60           HG       LEU  60 -11.540  -1.772  -6.400
  462   1HD1  LEU  60          1HD1      LEU  60 -11.341  -0.033  -4.311
  463   2HD1  LEU  60          2HD1      LEU  60 -11.500  -1.581  -3.486
  464   3HD1  LEU  60          3HD1      LEU  60 -12.725  -1.070  -4.642
  465   1HD2  LEU  60          1HD2      LEU  60  -8.837  -1.228  -5.269
  466   2HD2  LEU  60          2HD2      LEU  60  -9.862   0.129  -5.734
  467   3HD2  LEU  60          3HD2      LEU  60  -9.415  -1.087  -6.929
  468    H    GLY  61           H        GLY  61 -13.011  -6.231  -4.471
  469   1HA   GLY  61          1HA       GLY  61 -10.986  -7.896  -3.425
  470   2HA   GLY  61          2HA       GLY  61 -12.544  -8.435  -4.032
  471    H    ASP  62           H        ASP  62 -11.642  -6.966  -6.642
  472    HA   ASP  62           HA       ASP  62 -10.633  -9.335  -7.892
  473   1HB   ASP  62          1HB       ASP  62 -11.141  -6.613  -9.010
  474   2HB   ASP  62          2HB       ASP  62 -10.751  -8.029  -9.968
  475    H    VAL  63           H        VAL  63  -9.285  -6.362  -6.720
  476    HA   VAL  63           HA       VAL  63  -6.838  -6.579  -8.215
  477    HB   VAL  63           HB       VAL  63  -7.267  -4.916  -5.732
  478   1HG1  VAL  63          1HG1      VAL  63  -5.009  -5.343  -7.206
  479   2HG1  VAL  63          2HG1      VAL  63  -5.319  -3.919  -6.213
  480   3HG1  VAL  63          3HG1      VAL  63  -5.657  -3.879  -7.942
  481   1HG2  VAL  63          1HG2      VAL  63  -8.101  -3.134  -7.083
  482   2HG2  VAL  63          2HG2      VAL  63  -9.073  -4.562  -7.434
  483   3HG2  VAL  63          3HG2      VAL  63  -7.820  -4.049  -8.564
  484    H    ALA  64           H        ALA  64  -7.724  -7.061  -4.781
  485    HA   ALA  64           HA       ALA  64  -5.227  -7.993  -3.879
  486   1HB   ALA  64          1HB       ALA  64  -7.631  -9.257  -2.714
  487   2HB   ALA  64          2HB       ALA  64  -7.590  -7.494  -2.678
  488   3HB   ALA  64          3HB       ALA  64  -6.290  -8.421  -1.928
  489    H    GLN  65           H        GLN  65  -7.656  -9.452  -5.852
  490    HA   GLN  65           HA       GLN  65  -6.626 -12.143  -5.485
  491   1HB   GLN  65          1HB       GLN  65  -9.043 -11.833  -5.678
  492   2HB   GLN  65          2HB       GLN  65  -8.835 -11.083  -7.255
  493   1HG   GLN  65          1HG       GLN  65  -7.943 -13.184  -8.133
  494   2HG   GLN  65          2HG       GLN  65  -8.167 -13.934  -6.553
  495   1HE2  GLN  65          1HE2      GLN  65  -9.897 -15.153  -6.442
  496   2HE2  GLN  65          2HE2      GLN  65 -11.388 -14.899  -7.277
  497    H    LYS  66           H        LYS  66  -6.675  -9.594  -7.953
  498    HA   LYS  66           HA       LYS  66  -5.611 -11.107 -10.061
  499   1HB   LYS  66          1HB       LYS  66  -5.293  -9.108 -11.207
  500   2HB   LYS  66          2HB       LYS  66  -6.575  -8.694 -10.079
  501   1HG   LYS  66          1HG       LYS  66  -4.986  -7.584  -8.631
  502   2HG   LYS  66          2HG       LYS  66  -3.658  -8.064  -9.686
  503   1HD   LYS  66          1HD       LYS  66  -4.697  -6.775 -11.520
  504   2HD   LYS  66          2HD       LYS  66  -5.958  -6.248 -10.404
  505   1HE   LYS  66          1HE       LYS  66  -4.300  -4.514 -10.601
  506   2HE   LYS  66          2HE       LYS  66  -4.213  -5.216  -8.986
  507   1HZ   LYS  66          1HZ       LYS  66  -2.337  -5.548 -11.242
  508   2HZ   LYS  66          2HZ       LYS  66  -2.381  -6.670  -9.978
  509   3HZ   LYS  66          3HZ       LYS  66  -2.012  -5.052  -9.658
  510    H    ASN  67           H        ASN  67  -3.976  -9.122  -7.606
  511    HA   ASN  67           HA       ASN  67  -1.363  -9.873  -8.489
  512   1HB   ASN  67          1HB       ASN  67  -2.360  -8.455  -6.009
  513   2HB   ASN  67          2HB       ASN  67  -0.661  -8.665  -6.429
  514   1HD2  ASN  67          1HD2      ASN  67  -3.110  -6.541  -6.478
  515   2HD2  ASN  67          2HD2      ASN  67  -2.623  -5.541  -7.820
  516    H    GLU  68           H        GLU  68  -3.743 -11.466  -6.796
  517    HA   GLU  68           HA       GLU  68  -3.808 -13.403  -5.625
  518   1HB   GLU  68          1HB       GLU  68  -0.861 -13.560  -6.280
  519   2HB   GLU  68          2HB       GLU  68  -1.840 -14.876  -5.646
  520   1HG   GLU  68          1HG       GLU  68  -3.209 -14.838  -7.664
  521   2HG   GLU  68          2HG       GLU  68  -2.238 -13.512  -8.300
  522    H    VAL  69           H        VAL  69  -3.592 -11.038  -4.175
  523    HA   VAL  69           HA       VAL  69  -1.804 -11.794  -1.957
  524    HB   VAL  69           HB       VAL  69  -3.022  -9.087  -2.519
  525   1HG1  VAL  69          1HG1      VAL  69  -1.014 -10.004  -0.456
  526   2HG1  VAL  69          2HG1      VAL  69  -2.649  -9.407  -0.161
  527   3HG1  VAL  69          3HG1      VAL  69  -1.417  -8.319  -0.796
  528   1HG2  VAL  69          1HG2      VAL  69  -1.165  -8.473  -3.648
  529   2HG2  VAL  69          2HG2      VAL  69  -1.040 -10.204  -3.964
  530   3HG2  VAL  69          3HG2      VAL  69  -0.102  -9.476  -2.660
  531    H    SER  70           H        SER  70  -3.432 -13.350  -1.271
  532    HA   SER  70           HA       SER  70  -5.917 -12.251  -0.228
  533   1HB   SER  70          1HB       SER  70  -6.484 -14.595   0.297
  534   2HB   SER  70          2HB       SER  70  -6.008 -14.403  -1.399
  535    HG   SER  70           HG       SER  70  -3.996 -15.259  -0.893
  536    H    ALA  71           H        ALA  71  -2.958 -12.031   0.880
  537    HA   ALA  71           HA       ALA  71  -2.934 -13.204   3.425
  538   1HB   ALA  71          1HB       ALA  71  -0.922 -12.254   3.591
  539   2HB   ALA  71          2HB       ALA  71  -1.559 -10.640   3.276
  540   3HB   ALA  71          3HB       ALA  71  -1.179 -11.715   1.932
  541    H    MET  72           H        MET  72  -2.370 -10.887   5.086
  542    HA   MET  72           HA       MET  72  -4.536  -9.095   5.160
  543   1HB   MET  72          1HB       MET  72  -5.729 -10.058   7.142
  544   2HB   MET  72          2HB       MET  72  -5.944 -10.958   5.647
  545   1HG   MET  72          1HG       MET  72  -4.605 -12.712   6.356
  546   2HG   MET  72          2HG       MET  72  -3.825 -11.746   7.606
  547   1HE   MET  72          1HE       MET  72  -4.346 -13.735   9.634
  548   2HE   MET  72          2HE       MET  72  -4.611 -14.525   8.080
  549   3HE   MET  72          3HE       MET  72  -5.801 -14.693   9.370
  550    HA   PRO  73           HA       PRO  73  -3.575  -7.546   4.789
  551   1HB   PRO  73          1HB       PRO  73  -2.256  -5.275   5.031
  552   2HB   PRO  73          2HB       PRO  73  -3.648  -5.606   6.080
  553   1HG   PRO  73          1HG       PRO  73  -0.745  -5.687   6.701
  554   2HG   PRO  73          2HG       PRO  73  -2.109  -5.244   7.735
  555   1HD   PRO  73          1HD       PRO  73  -0.787  -7.766   7.599
  556   2HD   PRO  73          2HD       PRO  73  -2.234  -7.348   8.543
  557    H    THR  74           H        THR  74  -1.762  -5.970   3.388
  558    HA   THR  74           HA       THR  74   0.739  -7.427   3.136
  559    HB   THR  74           HB       THR  74  -1.203  -7.222   0.830
  560    HG1  THR  74           HG1      THR  74  -0.347  -9.708   1.442
  561   1HG2  THR  74          1HG2      THR  74   1.647  -8.073   0.968
  562   2HG2  THR  74          2HG2      THR  74   0.814  -7.119  -0.256
  563   3HG2  THR  74          3HG2      THR  74   0.557  -8.860  -0.167
  564    H    LEU  75           H        LEU  75   2.239  -6.391   1.612
  565    HA   LEU  75           HA       LEU  75   1.651  -3.529   1.242
  566   1HB   LEU  75          1HB       LEU  75   4.134  -4.891   2.222
  567   2HB   LEU  75          2HB       LEU  75   4.221  -3.314   1.466
  568    HG   LEU  75           HG       LEU  75   2.540  -3.904   3.904
  569   1HD1  LEU  75          1HD1      LEU  75   4.713  -4.202   4.682
  570   2HD1  LEU  75          2HD1      LEU  75   4.401  -2.492   4.988
  571   3HD1  LEU  75          3HD1      LEU  75   5.372  -2.977   3.598
  572   1HD2  LEU  75          1HD2      LEU  75   3.507  -1.243   2.922
  573   2HD2  LEU  75          2HD2      LEU  75   2.187  -1.604   4.034
  574   3HD2  LEU  75          3HD2      LEU  75   2.017  -1.959   2.315
  575    H    LEU  76           H        LEU  76   1.740  -2.851  -0.791
  576    HA   LEU  76           HA       LEU  76   3.417  -4.345  -2.697
  577   1HB   LEU  76          1HB       LEU  76   0.694  -3.128  -3.186
  578   2HB   LEU  76          2HB       LEU  76   1.735  -3.778  -4.452
  579    HG   LEU  76           HG       LEU  76   0.313  -5.269  -2.257
  580   1HD1  LEU  76          1HD1      LEU  76  -0.334  -4.692  -4.896
  581   2HD1  LEU  76          2HD1      LEU  76  -1.093  -5.895  -3.854
  582   3HD1  LEU  76          3HD1      LEU  76   0.226  -6.363  -4.926
  583   1HD2  LEU  76          1HD2      LEU  76   2.244  -6.466  -2.122
  584   2HD2  LEU  76          2HD2      LEU  76   2.770  -6.011  -3.742
  585   3HD2  LEU  76          3HD2      LEU  76   1.539  -7.256  -3.533
  586    H    LEU  77           H        LEU  77   4.914  -3.172  -3.682
  587    HA   LEU  77           HA       LEU  77   4.664  -0.240  -3.603
  588   1HB   LEU  77          1HB       LEU  77   7.120  -1.988  -3.736
  589   2HB   LEU  77          2HB       LEU  77   7.149  -0.240  -3.852
  590    HG   LEU  77           HG       LEU  77   6.195  -0.100  -1.568
  591   1HD1  LEU  77          1HD1      LEU  77   6.589  -2.402  -0.308
  592   2HD1  LEU  77          2HD1      LEU  77   6.167  -3.046  -1.895
  593   3HD1  LEU  77          3HD1      LEU  77   5.042  -1.986  -1.044
  594   1HD2  LEU  77          1HD2      LEU  77   8.658  -0.081  -2.064
  595   2HD2  LEU  77          2HD2      LEU  77   8.686  -1.787  -1.618
  596   3HD2  LEU  77          3HD2      LEU  77   8.222  -0.572  -0.427
  597    H    PHE  78           H        PHE  78   4.783   0.935  -5.437
  598    HA   PHE  78           HA       PHE  78   5.464  -0.431  -7.954
  599   1HB   PHE  78          1HB       PHE  78   3.043   1.349  -7.580
  600   2HB   PHE  78          2HB       PHE  78   3.505   0.492  -9.047
  601    HD1  PHE  78           HD1      PHE  78   3.664  -2.103  -8.843
  602    HD2  PHE  78           HD2      PHE  78   1.532   0.389  -6.131
  603    HE1  PHE  78           HE1      PHE  78   2.324  -4.037  -8.124
  604    HE2  PHE  78           HE2      PHE  78   0.188  -1.542  -5.411
  605    HZ   PHE  78           HZ       PHE  78   0.578  -3.754  -6.404
  606    H    LYS  79           H        LYS  79   6.904   0.749  -9.122
  607    HA   LYS  79           HA       LYS  79   7.049   3.645  -8.549
  608   1HB   LYS  79          1HB       LYS  79   9.184   1.657  -9.267
  609   2HB   LYS  79          2HB       LYS  79   9.425   3.377  -9.535
  610   1HG   LYS  79          1HG       LYS  79   9.097   3.811  -7.165
  611   2HG   LYS  79          2HG       LYS  79   8.805   2.097  -6.877
  612   1HD   LYS  79          1HD       LYS  79  11.093   2.713  -6.290
  613   2HD   LYS  79          2HD       LYS  79  11.068   1.578  -7.641
  614   1HE   LYS  79          1HE       LYS  79  11.368   3.441  -9.203
  615   2HE   LYS  79          2HE       LYS  79  11.398   4.570  -7.850
  616   1HZ   LYS  79          1HZ       LYS  79  13.619   4.218  -8.254
  617   2HZ   LYS  79          2HZ       LYS  79  13.417   2.585  -8.650
  618   3HZ   LYS  79          3HZ       LYS  79  13.326   3.081  -7.035
  619    H    ASN  80           H        ASN  80   6.745   5.077 -10.156
  620    HA   ASN  80           HA       ASN  80   6.078   5.869 -12.189
  621   1HB   ASN  80          1HB       ASN  80   8.277   4.000 -13.093
  622   2HB   ASN  80          2HB       ASN  80   7.589   5.302 -14.062
  623   1HD2  ASN  80          1HD2      ASN  80   8.784   7.046 -14.104
  624   2HD2  ASN  80          2HD2      ASN  80   9.804   7.623 -12.834
  625    H    GLY  81           H        GLY  81   4.198   4.180 -11.496
  626   1HA   GLY  81          1HA       GLY  81   2.507   2.851 -12.264
  627   2HA   GLY  81          2HA       GLY  81   3.027   3.329 -13.875
  628    H    LYS  82           H        LYS  82   5.379   1.737 -11.964
  629    HA   LYS  82           HA       LYS  82   4.902  -0.764 -13.447
  630   1HB   LYS  82          1HB       LYS  82   7.547   0.364 -12.501
  631   2HB   LYS  82          2HB       LYS  82   7.323  -1.136 -13.389
  632   1HG   LYS  82          1HG       LYS  82   6.742   1.627 -14.412
  633   2HG   LYS  82          2HG       LYS  82   8.109   0.609 -14.857
  634   1HD   LYS  82          1HD       LYS  82   5.200  -0.025 -15.348
  635   2HD   LYS  82          2HD       LYS  82   6.351   0.544 -16.559
  636   1HE   LYS  82          1HE       LYS  82   7.704  -1.466 -16.208
  637   2HE   LYS  82          2HE       LYS  82   6.550  -2.032 -15.001
  638   1HZ   LYS  82          1HZ       LYS  82   6.447  -2.740 -17.551
  639   2HZ   LYS  82          2HZ       LYS  82   5.458  -1.371 -17.613
  640   3HZ   LYS  82          3HZ       LYS  82   5.073  -2.643 -16.569
  641    H    GLU  83           H        GLU  83   6.980  -2.112 -11.929
  642    HA   GLU  83           HA       GLU  83   5.491  -2.515  -9.431
  643   1HB   GLU  83          1HB       GLU  83   5.550  -4.446 -10.961
  644   2HB   GLU  83          2HB       GLU  83   7.306  -4.401 -10.958
  645   1HG   GLU  83          1HG       GLU  83   7.377  -5.035  -8.650
  646   2HG   GLU  83          2HG       GLU  83   5.623  -4.900  -8.513
  647    H    VAL  84           H        VAL  84   7.008  -3.461  -7.647
  648    HA   VAL  84           HA       VAL  84   9.662  -2.286  -7.699
  649    HB   VAL  84           HB       VAL  84   7.743  -1.651  -5.543
  650   1HG1  VAL  84          1HG1      VAL  84   9.474  -0.175  -4.684
  651   2HG1  VAL  84          2HG1      VAL  84  10.543  -0.671  -5.997
  652   3HG1  VAL  84          3HG1      VAL  84  10.049  -1.840  -4.772
  653   1HG2  VAL  84          1HG2      VAL  84   7.287  -0.502  -7.706
  654   2HG2  VAL  84          2HG2      VAL  84   8.877   0.239  -7.568
  655   3HG2  VAL  84          3HG2      VAL  84   7.638   0.577  -6.361
  656    H    ALA  85           H        ALA  85   7.435  -3.664  -5.297
  657    HA   ALA  85           HA       ALA  85   8.867  -6.105  -5.069
  658   1HB   ALA  85          1HB       ALA  85   9.182  -4.643  -2.527
  659   2HB   ALA  85          2HB       ALA  85  10.229  -4.131  -3.851
  660   3HB   ALA  85          3HB       ALA  85  10.248  -5.810  -3.310
  661    H    LYS  86           H        LYS  86   7.882  -7.582  -3.657
  662    HA   LYS  86           HA       LYS  86   5.317  -6.678  -2.522
  663   1HB   LYS  86          1HB       LYS  86   4.428  -8.922  -3.023
  664   2HB   LYS  86          2HB       LYS  86   4.938  -8.076  -4.477
  665   1HG   LYS  86          1HG       LYS  86   7.023  -9.362  -4.485
  666   2HG   LYS  86          2HG       LYS  86   6.486 -10.225  -3.043
  667   1HD   LYS  86          1HD       LYS  86   6.077 -11.551  -5.043
  668   2HD   LYS  86          2HD       LYS  86   4.554 -11.084  -4.282
  669   1HE   LYS  86          1HE       LYS  86   4.293  -9.275  -5.900
  670   2HE   LYS  86          2HE       LYS  86   5.830  -9.712  -6.648
  671   1HZ   LYS  86          1HZ       LYS  86   3.229 -10.985  -6.870
  672   2HZ   LYS  86          2HZ       LYS  86   4.547 -12.038  -6.758
  673   3HZ   LYS  86          3HZ       LYS  86   4.489 -10.888  -7.996
  674    H    VAL  87           H        VAL  87   5.230  -6.831  -0.384
  675    HA   VAL  87           HA       VAL  87   6.484  -9.100   0.955
  676    HB   VAL  87           HB       VAL  87   7.029  -6.251   1.805
  677   1HG1  VAL  87          1HG1      VAL  87   7.181  -7.301   3.803
  678   2HG1  VAL  87          2HG1      VAL  87   8.780  -7.733   3.192
  679   3HG1  VAL  87          3HG1      VAL  87   7.449  -8.885   3.074
  680   1HG2  VAL  87          1HG2      VAL  87   9.330  -6.656   1.157
  681   2HG2  VAL  87          2HG2      VAL  87   8.262  -6.892  -0.226
  682   3HG2  VAL  87          3HG2      VAL  87   8.918  -8.286   0.630
  683    H    VAL  88           H        VAL  88   4.493  -9.884   1.571
  684    HA   VAL  88           HA       VAL  88   2.415  -8.317   2.660
  685    HB   VAL  88           HB       VAL  88   1.891 -10.479   1.740
  686   1HG1  VAL  88          1HG1      VAL  88   3.002 -12.124   3.883
  687   2HG1  VAL  88          2HG1      VAL  88   4.235 -11.321   2.910
  688   3HG1  VAL  88          3HG1      VAL  88   3.039 -12.361   2.135
  689   1HG2  VAL  88          1HG2      VAL  88   1.375 -10.083   4.657
  690   2HG2  VAL  88          2HG2      VAL  88   0.849 -11.572   3.877
  691   3HG2  VAL  88          3HG2      VAL  88   0.263 -10.018   3.292
  692    H    GLY  89           H        GLY  89   2.851  -7.060   4.374
  693   1HA   GLY  89          1HA       GLY  89   2.683  -7.556   6.914
  694   2HA   GLY  89          2HA       GLY  89   4.287  -8.228   6.658
  695    H    ALA  90           H        ALA  90   2.463  -5.404   7.229
  696    HA   ALA  90           HA       ALA  90   4.700  -3.638   6.571
  697   1HB   ALA  90          1HB       ALA  90   2.176  -2.584   7.730
  698   2HB   ALA  90          2HB       ALA  90   2.130  -3.235   6.092
  699   3HB   ALA  90          3HB       ALA  90   3.219  -1.904   6.481
  700    H    ASN  91           H        ASN  91   5.058  -5.450   8.720
  701    HA   ASN  91           HA       ASN  91   4.682  -4.059  11.185
  702   1HB   ASN  91          1HB       ASN  91   6.009  -5.966  12.065
  703   2HB   ASN  91          2HB       ASN  91   4.595  -6.468  11.165
  704   1HD2  ASN  91          1HD2      ASN  91   4.951  -8.118   9.889
  705   2HD2  ASN  91          2HD2      ASN  91   6.436  -8.500   9.093
  706    HA   PRO  92           HA       PRO  92   8.230  -1.405  11.207
  707   1HB   PRO  92          1HB       PRO  92   8.592  -2.558  13.947
  708   2HB   PRO  92          2HB       PRO  92   8.653  -0.870  13.422
  709   1HG   PRO  92          1HG       PRO  92   6.486  -1.776  14.629
  710   2HG   PRO  92          2HG       PRO  92   6.338  -0.718  13.211
  711   1HD   PRO  92          1HD       PRO  92   5.927  -3.668  13.424
  712   2HD   PRO  92          2HD       PRO  92   5.062  -2.475  12.433
  713    H    ALA  93           H        ALA  93   9.394  -2.718   9.655
  714    HA   ALA  93           HA       ALA  93  11.903  -3.576  10.542
  715   1HB   ALA  93          1HB       ALA  93  10.553  -6.013   9.576
  716   2HB   ALA  93          2HB       ALA  93  10.135  -5.486  11.205
  717   3HB   ALA  93          3HB       ALA  93  11.817  -5.817  10.791
  718    H    ALA  94           H        ALA  94   9.394  -3.950   8.074
  719    HA   ALA  94           HA       ALA  94  11.500  -3.664   6.040
  720   1HB   ALA  94          1HB       ALA  94  10.429  -5.974   6.203
  721   2HB   ALA  94          2HB       ALA  94  10.477  -5.217   4.611
  722   3HB   ALA  94          3HB       ALA  94   8.980  -5.216   5.543
  723    H    ILE  95           H        ILE  95   8.107  -3.058   6.846
  724    HA   ILE  95           HA       ILE  95   7.312  -1.643   4.624
  725    HB   ILE  95           HB       ILE  95   5.767  -2.172   6.398
  726   1HG1  ILE  95          1HG1      ILE  95   4.544  -0.092   6.569
  727   2HG1  ILE  95          2HG1      ILE  95   5.995   0.838   6.206
  728   1HG2  ILE  95          1HG2      ILE  95   7.718  -1.421   8.114
  729   2HG2  ILE  95          2HG2      ILE  95   6.032  -1.671   8.568
  730   3HG2  ILE  95          3HG2      ILE  95   6.622  -0.045   8.227
  731   1HD1  ILE  95          1HD1      ILE  95   5.524   0.741   4.053
  732   2HD1  ILE  95          2HD1      ILE  95   4.053  -0.155   4.428
  733   3HD1  ILE  95          3HD1      ILE  95   5.553  -1.021   4.101
  734    H    LYS  96           H        LYS  96   9.737  -0.771   6.901
  735    HA   LYS  96           HA       LYS  96   9.588   2.064   6.227
  736   1HB   LYS  96          1HB       LYS  96  11.406   2.343   7.858
  737   2HB   LYS  96          2HB       LYS  96  10.028   1.501   8.552
  738   1HG   LYS  96          1HG       LYS  96  11.207  -0.636   8.242
  739   2HG   LYS  96          2HG       LYS  96  12.601   0.249   7.620
  740   1HD   LYS  96          1HD       LYS  96  12.913  -0.308   9.970
  741   2HD   LYS  96          2HD       LYS  96  12.798   1.439   9.750
  742   1HE   LYS  96          1HE       LYS  96  10.463   1.383  10.449
  743   2HE   LYS  96          2HE       LYS  96  10.551  -0.368  10.638
  744   1HZ   LYS  96          1HZ       LYS  96  12.525   0.284  12.214
  745   2HZ   LYS  96          2HZ       LYS  96  10.927   0.294  12.767
  746   3HZ   LYS  96          3HZ       LYS  96  11.677   1.744  12.323
  747    H    GLN  97           H        GLN  97  11.934  -0.600   5.987
  748    HA   GLN  97           HA       GLN  97  13.789   0.897   4.432
  749   1HB   GLN  97          1HB       GLN  97  13.494  -2.095   4.763
  750   2HB   GLN  97          2HB       GLN  97  14.880  -1.285   4.042
  751   1HG   GLN  97          1HG       GLN  97  15.337  -0.175   6.168
  752   2HG   GLN  97          2HG       GLN  97  13.950  -0.981   6.888
  753   1HE2  GLN  97          1HE2      GLN  97  15.220  -3.176   4.802
  754   2HE2  GLN  97          2HE2      GLN  97  16.280  -4.013   5.876
  755    H    ALA  98           H        ALA  98  11.055  -1.150   3.725
  756    HA   ALA  98           HA       ALA  98  11.559  -1.621   0.997
  757   1HB   ALA  98          1HB       ALA  98   9.914  -2.979   1.912
  758   2HB   ALA  98          2HB       ALA  98   8.983  -1.849   0.930
  759   3HB   ALA  98          3HB       ALA  98   9.080  -1.626   2.676
  760    H    ILE  99           H        ILE  99  10.174   1.086   2.712
  761    HA   ILE  99           HA       ILE  99   9.352   2.411   0.256
  762    HB   ILE  99           HB       ILE  99   9.235   3.410   3.108
  763   1HG1  ILE  99          1HG1      ILE  99   7.080   2.161   1.384
  764   2HG1  ILE  99          2HG1      ILE  99   7.873   1.383   2.749
  765   1HG2  ILE  99          1HG2      ILE  99   9.060   5.336   1.868
  766   2HG2  ILE  99          2HG2      ILE  99   7.370   4.839   1.925
  767   3HG2  ILE  99          3HG2      ILE  99   8.336   4.512   0.487
  768   1HD1  ILE  99          1HD1      ILE  99   6.585   2.434   4.241
  769   2HD1  ILE  99          2HD1      ILE  99   5.521   2.728   2.867
  770   3HD1  ILE  99          3HD1      ILE  99   6.664   3.969   3.380
  771    H    ALA 100           H        ALA 100  12.187   2.112   2.016
  772    HA   ALA 100           HA       ALA 100  13.136   4.815   1.520
  773   1HB   ALA 100          1HB       ALA 100  15.157   2.979   2.465
  774   2HB   ALA 100          2HB       ALA 100  13.702   2.903   3.458
  775   3HB   ALA 100          3HB       ALA 100  14.526   4.444   3.215
  776    H    ALA 101           H        ALA 101  14.751   1.693   1.004
  777    HA   ALA 101           HA       ALA 101  16.490   2.489  -0.966
  778   1HB   ALA 101          1HB       ALA 101  17.020   0.405  -0.247
  779   2HB   ALA 101          2HB       ALA 101  16.155  -0.047  -1.715
  780   3HB   ALA 101          3HB       ALA 101  15.337  -0.114  -0.154
  781    H    ASN 102           H        ASN 102  13.096   1.684  -1.279
  782    HA   ASN 102           HA       ASN 102  13.180   1.563  -4.151
  783   1HB   ASN 102          1HB       ASN 102  10.923   1.571  -2.144
  784   2HB   ASN 102          2HB       ASN 102  10.690   1.431  -3.885
  785   1HD2  ASN 102          1HD2      ASN 102  13.520  -0.128  -3.298
  786   2HD2  ASN 102          2HD2      ASN 102  12.924  -1.727  -3.062
  787    H    ALA 103           H        ALA 103  11.866   3.791  -1.708
  788    HA   ALA 103           HA       ALA 103  11.365   5.781  -3.791
  789   1HB   ALA 103          1HB       ALA 103   9.669   6.440  -2.516
  790   2HB   ALA 103          2HB       ALA 103  10.733   6.682  -1.130
  791   3HB   ALA 103          3HB       ALA 103  10.028   5.094  -1.436
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1  -0.458  12.292   4.523
    2   2H    MET   1          2H        MET   1  -0.488  10.955   3.449
    3   3H    MET   1          3H        MET   1  -0.667  10.706   5.138
    4    HA   MET   1           HA       MET   1  -2.678  12.162   4.972
    5   1HB   MET   1          1HB       MET   1  -2.149  13.050   2.754
    6   2HB   MET   1          2HB       MET   1  -2.233  11.433   2.069
    7   1HG   MET   1          1HG       MET   1  -4.242  12.688   1.577
    8   2HG   MET   1          2HG       MET   1  -4.602  11.312   2.617
    9   1HE   MET   1          1HE       MET   1  -7.240  13.775   3.927
   10   2HE   MET   1          2HE       MET   1  -6.886  12.360   2.936
   11   3HE   MET   1          3HE       MET   1  -6.662  13.979   2.274
   12    H    VAL   2           H        VAL   2  -1.893   9.352   2.918
   13    HA   VAL   2           HA       VAL   2  -2.627   7.198   2.946
   14    HB   VAL   2           HB       VAL   2  -3.701   7.854   5.691
   15   1HG1  VAL   2          1HG1      VAL   2  -3.537   5.362   4.097
   16   2HG1  VAL   2          2HG1      VAL   2  -4.733   5.870   5.289
   17   3HG1  VAL   2          3HG1      VAL   2  -3.168   5.252   5.818
   18   1HG2  VAL   2          1HG2      VAL   2  -1.007   7.058   4.697
   19   2HG2  VAL   2          2HG2      VAL   2  -1.548   6.487   6.275
   20   3HG2  VAL   2          3HG2      VAL   2  -1.448   8.218   5.951
   21    H    THR   3           H        THR   3  -4.249   6.473   1.755
   22    HA   THR   3           HA       THR   3  -6.995   7.131   2.427
   23    HB   THR   3           HB       THR   3  -5.809   7.816  -0.271
   24    HG1  THR   3           HG1      THR   3  -5.408   9.571   0.840
   25   1HG2  THR   3          1HG2      THR   3  -8.631   7.745   0.694
   26   2HG2  THR   3          2HG2      THR   3  -7.954   7.188  -0.836
   27   3HG2  THR   3          3HG2      THR   3  -8.129   8.916  -0.526
   28    H    GLN   4           H        GLN   4  -8.503   5.681   1.592
   29    HA   GLN   4           HA       GLN   4  -7.383   3.125   0.742
   30   1HB   GLN   4          1HB       GLN   4 -10.265   3.822   1.312
   31   2HB   GLN   4          2HB       GLN   4  -9.561   2.214   1.226
   32   1HG   GLN   4          1HG       GLN   4  -8.260   2.652   3.228
   33   2HG   GLN   4          2HG       GLN   4  -8.910   4.289   3.308
   34   1HE2  GLN   4          1HE2      GLN   4  -9.164   1.321   4.602
   35   2HE2  GLN   4          2HE2      GLN   4 -10.810   1.354   5.129
   36    H    PHE   5           H        PHE   5  -8.563   1.900  -1.001
   37    HA   PHE   5           HA       PHE   5  -9.423   3.742  -3.132
   38   1HB   PHE   5          1HB       PHE   5  -7.848   1.176  -3.354
   39   2HB   PHE   5          2HB       PHE   5  -8.587   1.989  -4.740
   40    HD1  PHE   5           HD1      PHE   5  -7.991   4.839  -3.653
   41    HD2  PHE   5           HD2      PHE   5  -5.614   1.340  -4.173
   42    HE1  PHE   5           HE1      PHE   5  -5.993   6.246  -3.957
   43    HE2  PHE   5           HE2      PHE   5  -3.617   2.745  -4.474
   44    HZ   PHE   5           HZ       PHE   5  -3.804   5.194  -4.369
   45    H    LYS   6           H        LYS   6 -11.420   3.527  -3.806
   46    HA   LYS   6           HA       LYS   6 -12.886   1.052  -3.191
   47   1HB   LYS   6          1HB       LYS   6 -13.937   3.797  -3.903
   48   2HB   LYS   6          2HB       LYS   6 -14.922   2.400  -3.503
   49   1HG   LYS   6          1HG       LYS   6 -12.964   3.702  -1.625
   50   2HG   LYS   6          2HG       LYS   6 -14.696   4.025  -1.657
   51   1HD   LYS   6          1HD       LYS   6 -14.594   2.446   0.005
   52   2HD   LYS   6          2HD       LYS   6 -14.863   1.413  -1.400
   53   1HE   LYS   6          1HE       LYS   6 -13.109   0.525   0.052
   54   2HE   LYS   6          2HE       LYS   6 -12.475   0.953  -1.531
   55   1HZ   LYS   6          1HZ       LYS   6 -12.252   3.179   0.168
   56   2HZ   LYS   6          2HZ       LYS   6 -11.017   2.286  -0.563
   57   3HZ   LYS   6          3HZ       LYS   6 -11.596   1.834   0.959
   58    H    THR   7           H        THR   7 -11.942   3.232  -5.752
   59    HA   THR   7           HA       THR   7 -12.953   1.282  -7.713
   60    HB   THR   7           HB       THR   7 -13.392   3.164  -9.259
   61    HG1  THR   7           HG1      THR   7 -12.471   4.967  -8.752
   62   1HG2  THR   7          1HG2      THR   7 -15.324   2.459  -8.118
   63   2HG2  THR   7          2HG2      THR   7 -15.307   4.220  -8.018
   64   3HG2  THR   7          3HG2      THR   7 -14.823   3.252  -6.624
   65    H    ALA   8           H        ALA   8 -11.484   0.575  -9.144
   66    HA   ALA   8           HA       ALA   8  -8.773   0.995  -8.832
   67   1HB   ALA   8          1HB       ALA   8  -9.728   0.306 -11.553
   68   2HB   ALA   8          2HB       ALA   8 -10.177  -0.770 -10.228
   69   3HB   ALA   8          3HB       ALA   8  -8.477  -0.448 -10.567
   70    H    SER   9           H        SER   9 -11.066   2.935 -10.541
   71    HA   SER   9           HA       SER   9  -9.337   4.256 -12.317
   72   1HB   SER   9          1HB       SER   9 -11.836   5.297 -10.957
   73   2HB   SER   9          2HB       SER   9 -11.053   6.033 -12.356
   74    HG   SER   9           HG       SER   9 -11.465   4.082 -13.498
   75    H    GLU  10           H        GLU  10  -9.555   4.372  -8.910
   76    HA   GLU  10           HA       GLU  10  -8.377   6.999  -8.703
   77   1HB   GLU  10          1HB       GLU  10  -9.101   5.006  -6.563
   78   2HB   GLU  10          2HB       GLU  10  -8.523   6.640  -6.268
   79   1HG   GLU  10          1HG       GLU  10 -11.072   5.921  -7.695
   80   2HG   GLU  10          2HG       GLU  10 -10.946   6.453  -6.020
   81    H    PHE  11           H        PHE  11  -7.514   3.659  -8.206
   82    HA   PHE  11           HA       PHE  11  -4.875   4.279  -7.262
   83   1HB   PHE  11          1HB       PHE  11  -6.221   2.263  -6.545
   84   2HB   PHE  11          2HB       PHE  11  -5.926   1.589  -8.142
   85    HD1  PHE  11           HD1      PHE  11  -5.073  -0.238  -6.428
   86    HD2  PHE  11           HD2      PHE  11  -3.094   3.444  -7.239
   87    HE1  PHE  11           HE1      PHE  11  -2.957  -1.196  -5.618
   88    HE2  PHE  11           HE2      PHE  11  -0.979   2.490  -6.437
   89    HZ   PHE  11           HZ       PHE  11  -0.909   0.171  -5.624
   90    H    ASP  12           H        ASP  12  -6.396   3.405 -10.279
   91    HA   ASP  12           HA       ASP  12  -4.215   2.541 -11.760
   92   1HB   ASP  12          1HB       ASP  12  -6.525   2.430 -12.576
   93   2HB   ASP  12          2HB       ASP  12  -6.572   4.185 -12.707
   94    H    SER  13           H        SER  13  -5.258   5.824 -11.011
   95    HA   SER  13           HA       SER  13  -3.133   6.966 -12.633
   96   1HB   SER  13          1HB       SER  13  -5.231   8.292 -10.904
   97   2HB   SER  13          2HB       SER  13  -4.095   9.139 -11.952
   98    HG   SER  13           HG       SER  13  -5.966   7.199 -12.842
   99    H    ALA  14           H        ALA  14  -3.222   5.615  -9.649
  100    HA   ALA  14           HA       ALA  14  -1.677   7.587  -8.216
  101   1HB   ALA  14          1HB       ALA  14  -1.705   4.872  -7.127
  102   2HB   ALA  14          2HB       ALA  14  -3.308   5.545  -7.427
  103   3HB   ALA  14          3HB       ALA  14  -2.174   6.401  -6.383
  104    H    ILE  15           H        ILE  15  -1.072   4.419  -9.701
  105    HA   ILE  15           HA       ILE  15   1.730   4.485  -9.049
  106    HB   ILE  15           HB       ILE  15   1.907   2.426 -10.347
  107   1HG1  ILE  15          1HG1      ILE  15  -1.013   2.916 -10.978
  108   2HG1  ILE  15          2HG1      ILE  15   0.319   2.871 -12.130
  109   1HG2  ILE  15          1HG2      ILE  15   0.775   2.735  -7.943
  110   2HG2  ILE  15          2HG2      ILE  15   1.020   1.161  -8.698
  111   3HG2  ILE  15          3HG2      ILE  15  -0.556   1.947  -8.791
  112   1HD1  ILE  15          1HD1      ILE  15  -0.764   0.570 -10.528
  113   2HD1  ILE  15          2HD1      ILE  15   0.677   0.494 -11.542
  114   3HD1  ILE  15          3HD1      ILE  15  -0.896   0.822 -12.270
  115    H    ALA  16           H        ALA  16  -0.141   4.753 -12.066
  116    HA   ALA  16           HA       ALA  16   1.790   4.971 -13.936
  117   1HB   ALA  16          1HB       ALA  16  -0.230   5.179 -14.921
  118   2HB   ALA  16          2HB       ALA  16   0.177   6.895 -14.863
  119   3HB   ALA  16          3HB       ALA  16  -0.875   6.196 -13.632
  120    H    GLN  17           H        GLN  17   3.718   5.897 -13.457
  121    HA   GLN  17           HA       GLN  17   5.272   7.495 -12.954
  122   1HB   GLN  17          1HB       GLN  17   3.325   9.155 -14.562
  123   2HB   GLN  17          2HB       GLN  17   4.999   9.583 -14.239
  124   1HG   GLN  17          1HG       GLN  17   5.746   7.607 -15.462
  125   2HG   GLN  17          2HG       GLN  17   4.064   7.176 -15.786
  126   1HE2  GLN  17          1HE2      GLN  17   6.711   8.513 -17.114
  127   2HE2  GLN  17          2HE2      GLN  17   5.980   9.539 -18.296
  128    H    ASP  18           H        ASP  18   5.012   7.631 -10.699
  129    HA   ASP  18           HA       ASP  18   4.336  10.203  -9.748
  130   1HB   ASP  18          1HB       ASP  18   2.054   9.134 -10.068
  131   2HB   ASP  18          2HB       ASP  18   2.489   8.027  -8.770
  132    H    LYS  19           H        LYS  19   6.611   8.571  -9.581
  133    HA   LYS  19           HA       LYS  19   8.211   7.981  -8.058
  134   1HB   LYS  19          1HB       LYS  19   6.230   9.197  -6.146
  135   2HB   LYS  19          2HB       LYS  19   7.873   8.755  -5.714
  136   1HG   LYS  19          1HG       LYS  19   8.792  10.407  -7.121
  137   2HG   LYS  19          2HG       LYS  19   7.238  10.710  -7.901
  138   1HD   LYS  19          1HD       LYS  19   6.371  11.540  -5.734
  139   2HD   LYS  19          2HD       LYS  19   7.978  11.311  -5.039
  140   1HE   LYS  19          1HE       LYS  19   8.903  12.898  -6.651
  141   2HE   LYS  19          2HE       LYS  19   7.302  13.121  -7.356
  142   1HZ   LYS  19          1HZ       LYS  19   7.510  13.566  -4.490
  143   2HZ   LYS  19          2HZ       LYS  19   6.643  14.426  -5.661
  144   3HZ   LYS  19          3HZ       LYS  19   8.302  14.697  -5.470
  145    H    LEU  20           H        LEU  20   7.770   7.016  -5.386
  146    HA   LEU  20           HA       LEU  20   6.751   4.371  -6.077
  147   1HB   LEU  20          1HB       LEU  20   8.980   4.390  -5.176
  148   2HB   LEU  20          2HB       LEU  20   8.461   5.354  -3.792
  149    HG   LEU  20           HG       LEU  20   7.056   3.442  -3.048
  150   1HD1  LEU  20          1HD1      LEU  20   6.667   1.686  -4.333
  151   2HD1  LEU  20          2HD1      LEU  20   8.393   1.393  -4.539
  152   3HD1  LEU  20          3HD1      LEU  20   7.550   2.490  -5.631
  153   1HD2  LEU  20          1HD2      LEU  20   9.106   1.928  -2.545
  154   2HD2  LEU  20          2HD2      LEU  20   9.056   3.568  -1.895
  155   3HD2  LEU  20          3HD2      LEU  20  10.024   3.216  -3.326
  156    H    VAL  21           H        VAL  21   4.761   3.904  -5.560
  157    HA   VAL  21           HA       VAL  21   3.492   5.233  -3.271
  158    HB   VAL  21           HB       VAL  21   2.189   3.769  -5.574
  159   1HG1  VAL  21          1HG1      VAL  21   0.105   4.488  -4.736
  160   2HG1  VAL  21          2HG1      VAL  21   0.860   5.572  -3.569
  161   3HG1  VAL  21          3HG1      VAL  21   0.971   3.826  -3.350
  162   1HG2  VAL  21          1HG2      VAL  21   2.810   5.646  -6.671
  163   2HG2  VAL  21          2HG2      VAL  21   3.010   6.578  -5.188
  164   3HG2  VAL  21          3HG2      VAL  21   1.399   6.322  -5.857
  165    H    VAL  22           H        VAL  22   3.194   4.092  -1.482
  166    HA   VAL  22           HA       VAL  22   3.406   1.171  -1.610
  167    HB   VAL  22           HB       VAL  22   3.491   2.974   0.813
  168   1HG1  VAL  22          1HG1      VAL  22   2.767   0.717   1.349
  169   2HG1  VAL  22          2HG1      VAL  22   4.399   0.997   1.954
  170   3HG1  VAL  22          3HG1      VAL  22   4.153   0.049   0.487
  171   1HG2  VAL  22          1HG2      VAL  22   5.379   2.925  -1.096
  172   2HG2  VAL  22          2HG2      VAL  22   5.913   1.563  -0.110
  173   3HG2  VAL  22          3HG2      VAL  22   5.736   3.161   0.614
  174    H    VAL  23           H        VAL  23   1.394   0.457  -2.149
  175    HA   VAL  23           HA       VAL  23  -0.895   1.433  -0.603
  176    HB   VAL  23           HB       VAL  23  -0.886  -0.356  -3.039
  177   1HG1  VAL  23          1HG1      VAL  23  -3.280   0.248  -3.158
  178   2HG1  VAL  23          2HG1      VAL  23  -3.122   1.081  -1.611
  179   3HG1  VAL  23          3HG1      VAL  23  -2.874  -0.663  -1.703
  180   1HG2  VAL  23          1HG2      VAL  23  -0.810   2.577  -2.711
  181   2HG2  VAL  23          2HG2      VAL  23  -1.947   1.951  -3.903
  182   3HG2  VAL  23          3HG2      VAL  23  -0.233   1.566  -4.035
  183    H    ASP  24           H        ASP  24  -1.976   0.205   0.809
  184    HA   ASP  24           HA       ASP  24  -0.918  -2.466   1.373
  185   1HB   ASP  24          1HB       ASP  24  -0.933  -0.854   3.229
  186   2HB   ASP  24          2HB       ASP  24  -2.683  -0.656   3.045
  187    H    PHE  25           H        PHE  25  -2.086  -4.253   0.945
  188    HA   PHE  25           HA       PHE  25  -4.825  -3.929   0.000
  189   1HB   PHE  25          1HB       PHE  25  -2.730  -6.073  -0.300
  190   2HB   PHE  25          2HB       PHE  25  -4.414  -6.360  -0.733
  191    HD1  PHE  25           HD1      PHE  25  -2.014  -3.540  -1.317
  192    HD2  PHE  25           HD2      PHE  25  -4.730  -6.368  -2.954
  193    HE1  PHE  25           HE1      PHE  25  -1.562  -2.656  -3.567
  194    HE2  PHE  25           HE2      PHE  25  -4.306  -5.482  -5.200
  195    HZ   PHE  25           HZ       PHE  25  -2.724  -3.619  -5.517
  196    H    TYR  26           H        TYR  26  -4.782  -3.610   2.658
  197    HA   TYR  26           HA       TYR  26  -4.824  -5.802   4.326
  198   1HB   TYR  26          1HB       TYR  26  -6.577  -4.453   5.644
  199   2HB   TYR  26          2HB       TYR  26  -4.995  -3.728   5.391
  200    HD1  TYR  26           HD1      TYR  26  -8.226  -3.878   3.486
  201    HD2  TYR  26           HD2      TYR  26  -5.061  -1.464   4.983
  202    HE1  TYR  26           HE1      TYR  26  -9.291  -1.894   2.516
  203    HE2  TYR  26           HE2      TYR  26  -6.120   0.528   4.048
  204    HH   TYR  26           HH       TYR  26  -7.961   0.761   1.839
  205    H    ALA  27           H        ALA  27  -6.081  -7.531   4.585
  206    HA   ALA  27           HA       ALA  27  -7.989  -8.292   2.717
  207   1HB   ALA  27          1HB       ALA  27  -7.413  -9.257   5.497
  208   2HB   ALA  27          2HB       ALA  27  -7.004 -10.011   3.955
  209   3HB   ALA  27          3HB       ALA  27  -8.678  -9.979   4.504
  210    H    THR  28           H        THR  28 -10.277  -8.663   2.961
  211    HA   THR  28           HA       THR  28 -11.552  -6.444   4.355
  212    HB   THR  28           HB       THR  28 -12.156  -6.618   2.046
  213    HG1  THR  28           HG1      THR  28 -13.863  -6.337   3.760
  214   1HG2  THR  28          1HG2      THR  28 -11.971  -9.392   2.401
  215   2HG2  THR  28          2HG2      THR  28 -12.364  -8.512   0.926
  216   3HG2  THR  28          3HG2      THR  28 -13.653  -9.052   2.000
  217    H    TRP  29           H        TRP  29 -10.598  -9.034   5.622
  218    HA   TRP  29           HA       TRP  29 -13.095  -9.604   7.041
  219   1HB   TRP  29          1HB       TRP  29 -12.314 -12.050   7.119
  220   2HB   TRP  29          2HB       TRP  29 -13.013 -11.459   5.603
  221    HD1  TRP  29           HD1      TRP  29 -11.308 -11.055   3.548
  222    HE1  TRP  29           HE1      TRP  29  -8.999 -12.068   3.040
  223    HE3  TRP  29           HE3      TRP  29 -10.184 -12.875   8.189
  224    HZ2  TRP  29           HZ2      TRP  29  -6.965 -13.440   4.423
  225    HZ3  TRP  29           HZ3      TRP  29  -8.033 -14.015   8.519
  226    HH2  TRP  29           HH2      TRP  29  -6.455 -14.296   6.673
  227    H    CYS  30           H        CYS  30  -9.555  -9.978   7.014
  228    HA   CYS  30           HA       CYS  30  -9.030 -10.890   9.519
  229   1HB   CYS  30          1HB       CYS  30  -7.310 -10.240   7.805
  230   2HB   CYS  30          2HB       CYS  30  -7.552  -8.557   8.278
  231    HG   CYS  30           HG       CYS  30  -6.783 -10.154  10.688
  232    H    GLY  31           H        GLY  31  -9.339 -10.229  11.577
  233   1HA   GLY  31          1HA       GLY  31 -11.025  -8.196  12.327
  234   2HA   GLY  31          2HA       GLY  31  -9.769  -8.841  13.376
  235    HA   PRO  32           HA       PRO  32  -7.475  -5.076  13.151
  236   1HB   PRO  32          1HB       PRO  32  -4.919  -5.831  12.600
  237   2HB   PRO  32          2HB       PRO  32  -5.687  -6.133  14.159
  238   1HG   PRO  32          1HG       PRO  32  -5.337  -7.987  11.831
  239   2HG   PRO  32          2HG       PRO  32  -5.069  -8.297  13.558
  240   1HD   PRO  32          1HD       PRO  32  -7.316  -9.085  12.291
  241   2HD   PRO  32          2HD       PRO  32  -7.322  -8.565  13.988
  242    H    CYS  33           H        CYS  33  -5.075  -4.731  11.398
  243    HA   CYS  33           HA       CYS  33  -4.492  -4.124   9.283
  244   1HB   CYS  33          1HB       CYS  33  -7.034  -5.507   8.388
  245   2HB   CYS  33          2HB       CYS  33  -5.697  -4.990   7.353
  246    HG   CYS  33           HG       CYS  33  -4.397  -6.993   7.991
  247    H    LYS  34           H        LYS  34  -6.947  -2.927  11.026
  248    HA   LYS  34           HA       LYS  34  -7.732  -0.967   8.974
  249   1HB   LYS  34          1HB       LYS  34  -9.622  -2.212   9.905
  250   2HB   LYS  34          2HB       LYS  34  -9.154  -1.733  11.532
  251   1HG   LYS  34          1HG       LYS  34  -9.591   0.601  10.980
  252   2HG   LYS  34          2HG       LYS  34 -10.040   0.132   9.339
  253   1HD   LYS  34          1HD       LYS  34 -11.429  -0.748  11.870
  254   2HD   LYS  34          2HD       LYS  34 -12.012   0.485  10.749
  255   1HE   LYS  34          1HE       LYS  34 -12.115  -1.206   8.969
  256   2HE   LYS  34          2HE       LYS  34 -11.572  -2.432  10.115
  257   1HZ   LYS  34          1HZ       LYS  34 -13.582  -2.538  11.091
  258   2HZ   LYS  34          2HZ       LYS  34 -14.126  -1.948   9.604
  259   3HZ   LYS  34          3HZ       LYS  34 -13.905  -0.888  10.904
  260    H    MET  35           H        MET  35  -6.324  -1.405  12.126
  261    HA   MET  35           HA       MET  35  -6.314   1.396  12.811
  262   1HB   MET  35          1HB       MET  35  -4.721  -0.888  13.984
  263   2HB   MET  35          2HB       MET  35  -4.945   0.700  14.706
  264   1HG   MET  35          1HG       MET  35  -7.130  -1.297  14.174
  265   2HG   MET  35          2HG       MET  35  -6.363  -1.004  15.729
  266   1HE   MET  35          1HE       MET  35  -5.969   2.155  15.625
  267   2HE   MET  35          2HE       MET  35  -6.567   1.326  17.063
  268   3HE   MET  35          3HE       MET  35  -7.436   2.722  16.424
  269    H    ILE  36           H        ILE  36  -4.819  -0.149  10.460
  270    HA   ILE  36           HA       ILE  36  -2.105   0.742  10.756
  271    HB   ILE  36           HB       ILE  36  -3.584  -0.450   8.412
  272   1HG1  ILE  36          1HG1      ILE  36  -1.658  -1.679  10.395
  273   2HG1  ILE  36          2HG1      ILE  36  -3.400  -1.936  10.363
  274   1HG2  ILE  36          1HG2      ILE  36  -0.950   0.726   8.617
  275   2HG2  ILE  36          2HG2      ILE  36  -1.862   0.222   7.193
  276   3HG2  ILE  36          3HG2      ILE  36  -0.893  -0.954   8.082
  277   1HD1  ILE  36          1HD1      ILE  36  -2.367  -3.821   9.367
  278   2HD1  ILE  36          2HD1      ILE  36  -1.383  -2.802   8.316
  279   3HD1  ILE  36          3HD1      ILE  36  -3.128  -2.892   8.076
  280    H    ALA  37           H        ALA  37  -5.029   2.008   9.391
  281    HA   ALA  37           HA       ALA  37  -4.192   3.693   7.404
  282   1HB   ALA  37          1HB       ALA  37  -6.203   4.740   7.602
  283   2HB   ALA  37          2HB       ALA  37  -6.121   4.815   9.362
  284   3HB   ALA  37          3HB       ALA  37  -6.540   3.299   8.562
  285    HA   PRO  38           HA       PRO  38  -2.940   7.060  10.614
  286   1HB   PRO  38          1HB       PRO  38  -2.391   6.252  13.149
  287   2HB   PRO  38          2HB       PRO  38  -3.998   6.793  12.637
  288   1HG   PRO  38          1HG       PRO  38  -2.970   4.027  13.062
  289   2HG   PRO  38          2HG       PRO  38  -4.574   4.697  13.402
  290   1HD   PRO  38          1HD       PRO  38  -3.961   3.157  11.214
  291   2HD   PRO  38          2HD       PRO  38  -5.313   4.289  11.276
  292    H    MET  39           H        MET  39  -1.631   3.814  11.111
  293    HA   MET  39           HA       MET  39   1.045   4.616  11.603
  294   1HB   MET  39          1HB       MET  39   0.235   2.360  12.140
  295   2HB   MET  39          2HB       MET  39  -0.023   2.028  10.441
  296   1HG   MET  39          1HG       MET  39   2.359   2.253  10.065
  297   2HG   MET  39          2HG       MET  39   2.614   2.567  11.772
  298   1HE   MET  39          1HE       MET  39   4.189   0.390  10.186
  299   2HE   MET  39          2HE       MET  39   4.095  -1.045  11.208
  300   3HE   MET  39          3HE       MET  39   4.413   0.533  11.929
  301    H    ILE  40           H        ILE  40  -0.626   3.459   8.692
  302    HA   ILE  40           HA       ILE  40   1.388   3.644   6.822
  303    HB   ILE  40           HB       ILE  40  -1.554   4.304   6.521
  304   1HG1  ILE  40          1HG1      ILE  40   0.020   1.812   5.846
  305   2HG1  ILE  40          2HG1      ILE  40  -1.070   2.011   7.211
  306   1HG2  ILE  40          1HG2      ILE  40  -1.090   5.083   4.485
  307   2HG2  ILE  40          2HG2      ILE  40  -0.566   3.457   4.048
  308   3HG2  ILE  40          3HG2      ILE  40   0.610   4.635   4.634
  309   1HD1  ILE  40          1HD1      ILE  40  -2.855   1.536   5.970
  310   2HD1  ILE  40          2HD1      ILE  40  -1.720   1.011   4.727
  311   3HD1  ILE  40          3HD1      ILE  40  -2.355   2.654   4.702
  312    H    GLU  41           H        GLU  41  -0.385   6.185   8.402
  313    HA   GLU  41           HA       GLU  41   0.423   8.274   6.607
  314   1HB   GLU  41          1HB       GLU  41  -1.664   8.414   7.885
  315   2HB   GLU  41          2HB       GLU  41  -0.756   8.394   9.390
  316   1HG   GLU  41          1HG       GLU  41   0.302  10.519   8.760
  317   2HG   GLU  41          2HG       GLU  41  -0.653  10.540   7.278
  318    H    LYS  42           H        LYS  42   1.579   6.911   9.616
  319    HA   LYS  42           HA       LYS  42   3.368   8.961  10.336
  320   1HB   LYS  42          1HB       LYS  42   3.419   6.002  10.947
  321   2HB   LYS  42          2HB       LYS  42   4.468   7.192  11.708
  322   1HG   LYS  42          1HG       LYS  42   2.574   8.300  12.694
  323   2HG   LYS  42          2HG       LYS  42   1.461   7.241  11.829
  324   1HD   LYS  42          1HD       LYS  42   1.657   6.496  14.114
  325   2HD   LYS  42          2HD       LYS  42   2.410   5.309  13.049
  326   1HE   LYS  42          1HE       LYS  42   3.954   7.459  14.482
  327   2HE   LYS  42          2HE       LYS  42   3.672   5.860  15.164
  328   1HZ   LYS  42          1HZ       LYS  42   5.572   6.682  13.198
  329   2HZ   LYS  42          2HZ       LYS  42   4.644   5.377  12.653
  330   3HZ   LYS  42          3HZ       LYS  42   5.507   5.253  14.101
  331    H    PHE  43           H        PHE  43   3.548   6.514   7.910
  332    HA   PHE  43           HA       PHE  43   6.438   6.725   7.663
  333   1HB   PHE  43          1HB       PHE  43   4.395   5.103   6.134
  334   2HB   PHE  43          2HB       PHE  43   6.126   5.075   5.802
  335    HD1  PHE  43           HD1      PHE  43   3.910   4.805   8.794
  336    HD2  PHE  43           HD2      PHE  43   7.247   3.273   6.647
  337    HE1  PHE  43           HE1      PHE  43   4.201   3.060  10.504
  338    HE2  PHE  43           HE2      PHE  43   7.546   1.523   8.353
  339    HZ   PHE  43           HZ       PHE  43   6.021   1.415  10.284
  340    H    SER  44           H        SER  44   3.666   8.239   6.381
  341    HA   SER  44           HA       SER  44   4.761   8.930   3.830
  342   1HB   SER  44          1HB       SER  44   2.336   8.855   4.179
  343   2HB   SER  44          2HB       SER  44   2.460  10.163   5.369
  344    HG   SER  44           HG       SER  44   2.316  11.472   3.747
  345    H    GLU  45           H        GLU  45   5.530   9.938   6.915
  346    HA   GLU  45           HA       GLU  45   6.105  12.698   6.194
  347   1HB   GLU  45          1HB       GLU  45   5.217  12.231   8.425
  348   2HB   GLU  45          2HB       GLU  45   6.585  11.179   8.764
  349   1HG   GLU  45          1HG       GLU  45   8.097  13.088   8.588
  350   2HG   GLU  45          2HG       GLU  45   6.726  14.141   8.248
  351    H    GLN  46           H        GLN  46   7.741   9.650   6.585
  352    HA   GLN  46           HA       GLN  46  10.371  10.881   6.461
  353   1HB   GLN  46          1HB       GLN  46   9.501   7.998   6.665
  354   2HB   GLN  46          2HB       GLN  46  11.181   8.524   6.624
  355   1HG   GLN  46          1HG       GLN  46  10.828   9.811   8.662
  356   2HG   GLN  46          2HG       GLN  46   9.147   9.282   8.703
  357   1HE2  GLN  46          1HE2      GLN  46   8.780   7.711  10.077
  358   2HE2  GLN  46          2HE2      GLN  46   9.898   6.449  10.520
  359    H    TYR  47           H        TYR  47   8.108   9.292   4.356
  360    HA   TYR  47           HA       TYR  47  10.094   9.469   2.185
  361   1HB   TYR  47          1HB       TYR  47   7.904   7.414   2.524
  362   2HB   TYR  47          2HB       TYR  47   8.980   7.536   1.134
  363    HD1  TYR  47           HD1      TYR  47  11.520   7.355   1.618
  364    HD2  TYR  47           HD2      TYR  47   8.502   6.104   4.338
  365    HE1  TYR  47           HE1      TYR  47  13.161   5.932   2.772
  366    HE2  TYR  47           HE2      TYR  47  10.132   4.664   5.496
  367    HH   TYR  47           HH       TYR  47  13.096   4.918   5.540
  368    HA   PRO  48           HA       PRO  48   6.090  12.224   1.782
  369   1HB   PRO  48          1HB       PRO  48   8.416  13.827   0.809
  370   2HB   PRO  48          2HB       PRO  48   6.942  14.372   1.617
  371   1HG   PRO  48          1HG       PRO  48   9.269  14.078   2.940
  372   2HG   PRO  48          2HG       PRO  48   7.701  13.770   3.704
  373   1HD   PRO  48          1HD       PRO  48   9.807  11.868   2.946
  374   2HD   PRO  48          2HD       PRO  48   8.432  11.651   4.050
  375    H    GLN  49           H        GLN  49   8.900  11.793  -0.315
  376    HA   GLN  49           HA       GLN  49   7.692  12.405  -2.749
  377   1HB   GLN  49          1HB       GLN  49   9.898  10.399  -2.241
  378   2HB   GLN  49          2HB       GLN  49   9.487  11.086  -3.810
  379   1HG   GLN  49          1HG       GLN  49  10.498  12.613  -1.418
  380   2HG   GLN  49          2HG       GLN  49  11.438  12.166  -2.840
  381   1HE2  GLN  49          1HE2      GLN  49   9.869  14.635  -1.416
  382   2HE2  GLN  49          2HE2      GLN  49   9.477  15.588  -2.803
  383    H    ALA  50           H        ALA  50   7.590   9.483  -0.849
  384    HA   ALA  50           HA       ALA  50   6.279   7.988  -2.970
  385   1HB   ALA  50          1HB       ALA  50   7.565   6.477  -1.879
  386   2HB   ALA  50          2HB       ALA  50   6.126   6.335  -0.869
  387   3HB   ALA  50          3HB       ALA  50   7.475   7.343  -0.344
  388    H    ASP  51           H        ASP  51   4.142   7.635  -3.122
  389    HA   ASP  51           HA       ASP  51   2.405   9.050  -1.267
  390   1HB   ASP  51          1HB       ASP  51   1.764   7.588  -3.838
  391   2HB   ASP  51          2HB       ASP  51   0.622   8.542  -2.896
  392    H    PHE  52           H        PHE  52   1.458   8.083   0.383
  393    HA   PHE  52           HA       PHE  52   1.428   5.165   0.473
  394   1HB   PHE  52          1HB       PHE  52   0.994   7.240   2.628
  395   2HB   PHE  52          2HB       PHE  52   0.871   5.495   2.891
  396    HD1  PHE  52           HD1      PHE  52   3.275   7.895   1.326
  397    HD2  PHE  52           HD2      PHE  52   2.701   4.502   3.830
  398    HE1  PHE  52           HE1      PHE  52   5.700   7.788   1.731
  399    HE2  PHE  52           HE2      PHE  52   5.123   4.390   4.240
  400    HZ   PHE  52           HZ       PHE  52   6.626   6.035   3.190
  401    H    TYR  53           H        TYR  53  -0.304   4.364  -0.510
  402    HA   TYR  53           HA       TYR  53  -2.941   5.463   0.197
  403   1HB   TYR  53          1HB       TYR  53  -1.936   4.178  -2.328
  404   2HB   TYR  53          2HB       TYR  53  -3.656   4.205  -1.950
  405    HD1  TYR  53           HD1      TYR  53  -4.549   6.617  -1.246
  406    HD2  TYR  53           HD2      TYR  53  -1.103   5.892  -3.630
  407    HE1  TYR  53           HE1      TYR  53  -4.736   8.878  -2.191
  408    HE2  TYR  53           HE2      TYR  53  -1.274   8.153  -4.579
  409    HH   TYR  53           HH       TYR  53  -2.238  10.299  -4.066
  410    H    LYS  54           H        LYS  54  -4.638   3.519  -0.379
  411    HA   LYS  54           HA       LYS  54  -3.655   1.026   0.763
  412   1HB   LYS  54          1HB       LYS  54  -6.010   2.493   1.948
  413   2HB   LYS  54          2HB       LYS  54  -5.353   0.952   2.481
  414   1HG   LYS  54          1HG       LYS  54  -3.329   1.996   3.218
  415   2HG   LYS  54          2HG       LYS  54  -3.834   3.547   2.545
  416   1HD   LYS  54          1HD       LYS  54  -5.277   2.073   4.747
  417   2HD   LYS  54          2HD       LYS  54  -4.146   3.400   4.999
  418   1HE   LYS  54          1HE       LYS  54  -5.573   4.904   3.758
  419   2HE   LYS  54          2HE       LYS  54  -6.670   3.585   3.364
  420   1HZ   LYS  54          1HZ       LYS  54  -6.545   5.188   5.718
  421   2HZ   LYS  54          2HZ       LYS  54  -6.493   3.539   6.092
  422   3HZ   LYS  54          3HZ       LYS  54  -7.777   4.160   5.183
  423    H    LEU  55           H        LEU  55  -4.537  -0.694  -0.164
  424    HA   LEU  55           HA       LEU  55  -6.668  -0.287  -2.102
  425   1HB   LEU  55          1HB       LEU  55  -4.547  -1.538  -2.632
  426   2HB   LEU  55          2HB       LEU  55  -5.082  -2.788  -1.530
  427    HG   LEU  55           HG       LEU  55  -5.489  -3.301  -3.935
  428   1HD1  LEU  55          1HD1      LEU  55  -7.028  -3.874  -1.774
  429   2HD1  LEU  55          2HD1      LEU  55  -7.261  -4.554  -3.385
  430   3HD1  LEU  55          3HD1      LEU  55  -8.213  -3.162  -2.867
  431   1HD2  LEU  55          1HD2      LEU  55  -7.634  -1.198  -3.775
  432   2HD2  LEU  55          2HD2      LEU  55  -7.151  -2.152  -5.177
  433   3HD2  LEU  55          3HD2      LEU  55  -6.063  -0.926  -4.529
  434    H    ASP  56           H        ASP  56  -8.679  -1.164  -1.978
  435    HA   ASP  56           HA       ASP  56  -9.435  -2.240   0.625
  436   1HB   ASP  56          1HB       ASP  56 -10.661  -0.301  -0.503
  437   2HB   ASP  56          2HB       ASP  56 -11.307  -1.503  -1.622
  438    H    VAL  57           H        VAL  57  -9.266  -4.385   0.805
  439    HA   VAL  57           HA       VAL  57  -9.489  -6.171  -1.409
  440    HB   VAL  57           HB       VAL  57  -9.493  -6.744   1.568
  441   1HG1  VAL  57          1HG1      VAL  57  -9.406  -8.567  -0.826
  442   2HG1  VAL  57          2HG1      VAL  57 -10.449  -8.656   0.593
  443   3HG1  VAL  57          3HG1      VAL  57  -8.734  -9.050   0.733
  444   1HG2  VAL  57          1HG2      VAL  57  -7.453  -5.652   0.641
  445   2HG2  VAL  57          2HG2      VAL  57  -7.268  -7.019  -0.459
  446   3HG2  VAL  57          3HG2      VAL  57  -7.160  -7.267   1.285
  447    H    ASP  58           H        ASP  58 -11.770  -4.552   0.458
  448    HA   ASP  58           HA       ASP  58 -13.839  -6.583   0.263
  449   1HB   ASP  58          1HB       ASP  58 -13.645  -5.078   2.257
  450   2HB   ASP  58          2HB       ASP  58 -14.046  -3.718   1.218
  451    H    GLU  59           H        GLU  59 -13.023  -3.433  -1.097
  452    HA   GLU  59           HA       GLU  59 -15.312  -3.533  -2.897
  453   1HB   GLU  59          1HB       GLU  59 -14.735  -1.420  -1.732
  454   2HB   GLU  59          2HB       GLU  59 -13.189  -1.398  -2.575
  455   1HG   GLU  59          1HG       GLU  59 -14.718   0.096  -3.662
  456   2HG   GLU  59          2HG       GLU  59 -14.400  -1.278  -4.720
  457    H    LEU  60           H        LEU  60 -11.766  -3.333  -3.071
  458    HA   LEU  60           HA       LEU  60 -11.905  -4.050  -5.914
  459   1HB   LEU  60          1HB       LEU  60  -9.632  -2.968  -4.251
  460   2HB   LEU  60          2HB       LEU  60  -9.476  -3.448  -5.927
  461    HG   LEU  60           HG       LEU  60 -11.141  -1.716  -6.548
  462   1HD1  LEU  60          1HD1      LEU  60 -12.479  -1.167  -4.813
  463   2HD1  LEU  60          2HD1      LEU  60 -11.253   0.078  -4.579
  464   3HD1  LEU  60          3HD1      LEU  60 -11.207  -1.395  -3.612
  465   1HD2  LEU  60          1HD2      LEU  60  -8.566  -1.412  -6.358
  466   2HD2  LEU  60          2HD2      LEU  60  -8.973  -0.370  -4.994
  467   3HD2  LEU  60          3HD2      LEU  60  -9.596  -0.002  -6.602
  468    H    GLY  61           H        GLY  61 -12.564  -6.119  -4.273
  469   1HA   GLY  61          1HA       GLY  61 -10.501  -7.739  -3.325
  470   2HA   GLY  61          2HA       GLY  61 -12.061  -8.324  -3.883
  471    H    ASP  62           H        ASP  62 -11.397  -7.020  -6.573
  472    HA   ASP  62           HA       ASP  62 -10.357  -9.359  -7.792
  473   1HB   ASP  62          1HB       ASP  62 -10.838  -6.643  -8.937
  474   2HB   ASP  62          2HB       ASP  62 -10.489  -8.077  -9.882
  475    H    VAL  63           H        VAL  63  -8.930  -6.421  -6.641
  476    HA   VAL  63           HA       VAL  63  -6.516  -6.695  -8.190
  477    HB   VAL  63           HB       VAL  63  -6.852  -4.978  -5.733
  478   1HG1  VAL  63          1HG1      VAL  63  -5.298  -4.081  -8.068
  479   2HG1  VAL  63          2HG1      VAL  63  -4.637  -5.465  -7.196
  480   3HG1  VAL  63          3HG1      VAL  63  -4.942  -3.949  -6.346
  481   1HG2  VAL  63          1HG2      VAL  63  -7.521  -4.189  -8.565
  482   2HG2  VAL  63          2HG2      VAL  63  -7.682  -3.199  -7.113
  483   3HG2  VAL  63          3HG2      VAL  63  -8.719  -4.607  -7.340
  484    H    ALA  64           H        ALA  64  -7.349  -7.075  -4.735
  485    HA   ALA  64           HA       ALA  64  -4.868  -8.001  -3.815
  486   1HB   ALA  64          1HB       ALA  64  -6.917  -9.377  -2.412
  487   2HB   ALA  64          2HB       ALA  64  -7.513  -7.762  -2.793
  488   3HB   ALA  64          3HB       ALA  64  -6.001  -7.958  -1.907
  489    H    GLN  65           H        GLN  65  -7.371  -9.568  -5.649
  490    HA   GLN  65           HA       GLN  65  -6.231 -12.217  -5.269
  491   1HB   GLN  65          1HB       GLN  65  -8.668 -11.983  -5.325
  492   2HB   GLN  65          2HB       GLN  65  -8.576 -11.284  -6.935
  493   1HG   GLN  65          1HG       GLN  65  -7.677 -13.384  -7.797
  494   2HG   GLN  65          2HG       GLN  65  -7.769 -14.085  -6.182
  495   1HE2  GLN  65          1HE2      GLN  65  -9.446 -15.351  -5.908
  496   2HE2  GLN  65          2HE2      GLN  65 -10.996 -15.177  -6.650
  497    H    LYS  66           H        LYS  66  -6.199  -9.611  -7.568
  498    HA   LYS  66           HA       LYS  66  -5.314 -11.110  -9.805
  499   1HB   LYS  66          1HB       LYS  66  -6.025  -9.175 -10.670
  500   2HB   LYS  66          2HB       LYS  66  -5.866  -8.351  -9.134
  501   1HG   LYS  66          1HG       LYS  66  -4.499  -7.234 -10.715
  502   2HG   LYS  66          2HG       LYS  66  -3.444  -8.090  -9.593
  503   1HD   LYS  66          1HD       LYS  66  -3.186  -9.903 -11.234
  504   2HD   LYS  66          2HD       LYS  66  -4.234  -9.030 -12.352
  505   1HE   LYS  66          1HE       LYS  66  -1.890  -8.695 -12.917
  506   2HE   LYS  66          2HE       LYS  66  -2.635  -7.182 -12.407
  507   1HZ   LYS  66          1HZ       LYS  66  -1.007  -8.916 -10.631
  508   2HZ   LYS  66          2HZ       LYS  66  -1.604  -7.374 -10.276
  509   3HZ   LYS  66          3HZ       LYS  66  -0.404  -7.565 -11.454
  510    H    ASN  67           H        ASN  67  -3.656  -9.035  -7.440
  511    HA   ASN  67           HA       ASN  67  -1.054  -9.689  -8.410
  512   1HB   ASN  67          1HB       ASN  67  -2.009  -8.316  -5.889
  513   2HB   ASN  67          2HB       ASN  67  -0.321  -8.445  -6.385
  514   1HD2  ASN  67          1HD2      ASN  67  -2.890  -6.453  -6.335
  515   2HD2  ASN  67          2HD2      ASN  67  -2.505  -5.428  -7.692
  516    H    GLU  68           H        GLU  68  -3.269 -11.462  -6.723
  517    HA   GLU  68           HA       GLU  68  -3.178 -13.422  -5.596
  518   1HB   GLU  68          1HB       GLU  68  -0.209 -13.300  -6.164
  519   2HB   GLU  68          2HB       GLU  68  -1.089 -14.710  -5.594
  520   1HG   GLU  68          1HG       GLU  68  -2.387 -14.750  -7.652
  521   2HG   GLU  68          2HG       GLU  68  -1.530 -13.319  -8.226
  522    H    VAL  69           H        VAL  69  -3.132 -10.994  -4.150
  523    HA   VAL  69           HA       VAL  69  -1.424 -11.705  -1.853
  524    HB   VAL  69           HB       VAL  69  -2.646  -9.018  -2.485
  525   1HG1  VAL  69          1HG1      VAL  69  -0.575  -9.729  -0.416
  526   2HG1  VAL  69          2HG1      VAL  69  -2.296  -9.550  -0.073
  527   3HG1  VAL  69          3HG1      VAL  69  -1.367  -8.172  -0.657
  528   1HG2  VAL  69          1HG2      VAL  69  -0.000  -8.600  -2.628
  529   2HG2  VAL  69          2HG2      VAL  69  -0.990  -9.008  -4.028
  530   3HG2  VAL  69          3HG2      VAL  69  -0.067 -10.264  -3.205
  531    H    SER  70           H        SER  70  -2.974 -13.241  -1.096
  532    HA   SER  70           HA       SER  70  -5.564 -12.194  -0.261
  533   1HB   SER  70          1HB       SER  70  -6.099 -14.526   0.316
  534   2HB   SER  70          2HB       SER  70  -5.517 -14.392  -1.353
  535    HG   SER  70           HG       SER  70  -3.486 -15.118  -0.633
  536    H    ALA  71           H        ALA  71  -2.581 -12.047   1.004
  537    HA   ALA  71           HA       ALA  71  -2.801 -13.036   3.612
  538   1HB   ALA  71          1HB       ALA  71  -1.248 -10.672   3.693
  539   2HB   ALA  71          2HB       ALA  71  -0.961 -11.439   2.132
  540   3HB   ALA  71          3HB       ALA  71  -0.691 -12.343   3.620
  541    H    MET  72           H        MET  72  -2.321 -10.803   5.291
  542    HA   MET  72           HA       MET  72  -4.314  -8.832   5.041
  543   1HB   MET  72          1HB       MET  72  -5.911  -9.571   6.715
  544   2HB   MET  72          2HB       MET  72  -5.840 -10.690   5.364
  545   1HG   MET  72          1HG       MET  72  -4.444 -11.096   7.990
  546   2HG   MET  72          2HG       MET  72  -6.005 -11.781   7.570
  547   1HE   MET  72          1HE       MET  72  -3.279 -13.687   8.437
  548   2HE   MET  72          2HE       MET  72  -3.948 -14.987   7.452
  549   3HE   MET  72          3HE       MET  72  -5.023 -13.943   8.382
  550    HA   PRO  73           HA       PRO  73  -3.564  -7.186   4.888
  551   1HB   PRO  73          1HB       PRO  73  -2.152  -4.993   5.173
  552   2HB   PRO  73          2HB       PRO  73  -3.516  -5.284   6.274
  553   1HG   PRO  73          1HG       PRO  73  -0.587  -5.742   6.732
  554   2HG   PRO  73          2HG       PRO  73  -1.767  -4.959   7.793
  555   1HD   PRO  73          1HD       PRO  73  -0.989  -7.610   7.986
  556   2HD   PRO  73          2HD       PRO  73  -2.510  -6.949   8.627
  557    H    THR  74           H        THR  74  -1.694  -5.711   3.515
  558    HA   THR  74           HA       THR  74   0.792  -7.159   3.283
  559    HB   THR  74           HB       THR  74  -1.104  -7.137   0.929
  560    HG1  THR  74           HG1      THR  74  -0.619  -9.028   2.910
  561   1HG2  THR  74          1HG2      THR  74   1.008  -9.050   0.754
  562   2HG2  THR  74          2HG2      THR  74   1.681  -7.446   1.022
  563   3HG2  THR  74          3HG2      THR  74   0.604  -7.730  -0.342
  564    H    LEU  75           H        LEU  75   2.358  -6.037   2.069
  565    HA   LEU  75           HA       LEU  75   1.590  -3.274   1.405
  566   1HB   LEU  75          1HB       LEU  75   4.306  -4.365   2.133
  567   2HB   LEU  75          2HB       LEU  75   3.929  -2.686   1.803
  568    HG   LEU  75           HG       LEU  75   2.879  -4.304   4.125
  569   1HD1  LEU  75          1HD1      LEU  75   4.951  -3.850   4.877
  570   2HD1  LEU  75          2HD1      LEU  75   4.249  -2.267   5.208
  571   3HD1  LEU  75          3HD1      LEU  75   5.193  -2.526   3.740
  572   1HD2  LEU  75          1HD2      LEU  75   2.324  -1.776   4.773
  573   2HD2  LEU  75          2HD2      LEU  75   1.187  -2.806   3.902
  574   3HD2  LEU  75          3HD2      LEU  75   2.181  -1.647   3.020
  575    H    LEU  76           H        LEU  76   1.678  -2.654  -0.647
  576    HA   LEU  76           HA       LEU  76   3.362  -4.195  -2.510
  577   1HB   LEU  76          1HB       LEU  76   0.642  -2.974  -2.995
  578   2HB   LEU  76          2HB       LEU  76   1.673  -3.613  -4.274
  579    HG   LEU  76           HG       LEU  76   0.285  -5.121  -2.069
  580   1HD1  LEU  76          1HD1      LEU  76  -1.140  -5.743  -3.651
  581   2HD1  LEU  76          2HD1      LEU  76   0.168  -6.204  -4.742
  582   3HD1  LEU  76          3HD1      LEU  76  -0.397  -4.534  -4.697
  583   1HD2  LEU  76          1HD2      LEU  76   2.617  -5.961  -3.759
  584   2HD2  LEU  76          2HD2      LEU  76   1.456  -7.137  -3.145
  585   3HD2  LEU  76          3HD2      LEU  76   2.384  -6.145  -2.021
  586    H    LEU  77           H        LEU  77   4.848  -3.067  -3.583
  587    HA   LEU  77           HA       LEU  77   4.653  -0.130  -3.534
  588   1HB   LEU  77          1HB       LEU  77   7.076  -1.920  -3.706
  589   2HB   LEU  77          2HB       LEU  77   7.129  -0.174  -3.843
  590    HG   LEU  77           HG       LEU  77   6.218   0.002  -1.540
  591   1HD1  LEU  77          1HD1      LEU  77   6.253  -2.966  -1.789
  592   2HD1  LEU  77          2HD1      LEU  77   5.047  -1.909  -1.054
  593   3HD1  LEU  77          3HD1      LEU  77   6.566  -2.229  -0.217
  594   1HD2  LEU  77          1HD2      LEU  77   8.687  -1.709  -1.572
  595   2HD2  LEU  77          2HD2      LEU  77   8.265  -0.412  -0.453
  596   3HD2  LEU  77          3HD2      LEU  77   8.683  -0.034  -2.124
  597    H    PHE  78           H        PHE  78   4.889   1.048  -5.377
  598    HA   PHE  78           HA       PHE  78   5.417  -0.358  -7.900
  599   1HB   PHE  78          1HB       PHE  78   3.065   1.503  -7.483
  600   2HB   PHE  78          2HB       PHE  78   3.461   0.614  -8.950
  601    HD1  PHE  78           HD1      PHE  78   3.516  -1.974  -8.742
  602    HD2  PHE  78           HD2      PHE  78   1.586   0.601  -5.958
  603    HE1  PHE  78           HE1      PHE  78   2.139  -3.859  -7.959
  604    HE2  PHE  78           HE2      PHE  78   0.207  -1.278  -5.171
  605    HZ   PHE  78           HZ       PHE  78   0.478  -3.508  -6.170
  606    H    LYS  79           H        LYS  79   6.862   0.776  -9.115
  607    HA   LYS  79           HA       LYS  79   7.156   3.653  -8.509
  608   1HB   LYS  79          1HB       LYS  79   9.143   1.588  -9.411
  609   2HB   LYS  79          2HB       LYS  79   9.449   3.303  -9.652
  610   1HG   LYS  79          1HG       LYS  79   9.300   3.689  -7.260
  611   2HG   LYS  79          2HG       LYS  79   8.925   1.989  -6.992
  612   1HD   LYS  79          1HD       LYS  79  11.276   2.449  -6.530
  613   2HD   LYS  79          2HD       LYS  79  11.105   1.361  -7.909
  614   1HE   LYS  79          1HE       LYS  79  11.429   3.243  -9.435
  615   2HE   LYS  79          2HE       LYS  79  11.587   4.336  -8.060
  616   1HZ   LYS  79          1HZ       LYS  79  13.440   2.211  -8.942
  617   2HZ   LYS  79          2HZ       LYS  79  13.495   2.821  -7.366
  618   3HZ   LYS  79          3HZ       LYS  79  13.761   3.851  -8.680
  619    H    ASN  80           H        ASN  80   6.749   5.127 -10.038
  620    HA   ASN  80           HA       ASN  80   5.921   5.971 -11.991
  621   1HB   ASN  80          1HB       ASN  80   8.368   5.797 -12.414
  622   2HB   ASN  80          2HB       ASN  80   8.093   4.237 -13.179
  623   1HD2  ASN  80          1HD2      ASN  80   8.582   7.400 -13.773
  624   2HD2  ASN  80          2HD2      ASN  80   7.835   7.538 -15.324
  625    H    GLY  81           H        GLY  81   4.058   4.363 -11.408
  626   1HA   GLY  81          1HA       GLY  81   2.383   3.003 -12.152
  627   2HA   GLY  81          2HA       GLY  81   2.887   3.494 -13.763
  628    H    LYS  82           H        LYS  82   5.249   1.860 -11.879
  629    HA   LYS  82           HA       LYS  82   4.736  -0.613 -13.396
  630   1HB   LYS  82          1HB       LYS  82   7.396   0.476 -12.450
  631   2HB   LYS  82          2HB       LYS  82   7.159  -1.028 -13.323
  632   1HG   LYS  82          1HG       LYS  82   6.330   0.210 -15.252
  633   2HG   LYS  82          2HG       LYS  82   6.573   1.723 -14.381
  634   1HD   LYS  82          1HD       LYS  82   8.969   1.254 -14.229
  635   2HD   LYS  82          2HD       LYS  82   8.725  -0.267 -15.091
  636   1HE   LYS  82          1HE       LYS  82   9.551   1.468 -16.591
  637   2HE   LYS  82          2HE       LYS  82   7.926   0.960 -17.043
  638   1HZ   LYS  82          1HZ       LYS  82   7.904   3.159 -15.215
  639   2HZ   LYS  82          2HZ       LYS  82   7.148   3.002 -16.720
  640   3HZ   LYS  82          3HZ       LYS  82   8.752   3.526 -16.632
  641    H    GLU  83           H        GLU  83   6.754  -2.062 -11.922
  642    HA   GLU  83           HA       GLU  83   5.286  -2.423  -9.405
  643   1HB   GLU  83          1HB       GLU  83   5.220  -4.343 -10.944
  644   2HB   GLU  83          2HB       GLU  83   6.976  -4.377 -10.985
  645   1HG   GLU  83          1HG       GLU  83   7.080  -5.042  -8.689
  646   2HG   GLU  83          2HG       GLU  83   5.341  -4.817  -8.497
  647    H    VAL  84           H        VAL  84   6.780  -3.473  -7.664
  648    HA   VAL  84           HA       VAL  84   9.490  -2.449  -7.736
  649    HB   VAL  84           HB       VAL  84   7.623  -1.690  -5.573
  650   1HG1  VAL  84          1HG1      VAL  84   9.496  -0.271  -4.793
  651   2HG1  VAL  84          2HG1      VAL  84  10.513  -1.027  -6.019
  652   3HG1  VAL  84          3HG1      VAL  84   9.840  -1.999  -4.711
  653   1HG2  VAL  84          1HG2      VAL  84   8.885   0.098  -7.620
  654   2HG2  VAL  84          2HG2      VAL  84   7.714   0.553  -6.385
  655   3HG2  VAL  84          3HG2      VAL  84   7.231  -0.498  -7.708
  656    H    ALA  85           H        ALA  85   7.259  -3.607  -5.235
  657    HA   ALA  85           HA       ALA  85   8.433  -6.182  -5.051
  658   1HB   ALA  85          1HB       ALA  85   9.617  -5.994  -2.960
  659   2HB   ALA  85          2HB       ALA  85   9.212  -4.281  -2.843
  660   3HB   ALA  85          3HB       ALA  85  10.293  -4.847  -4.116
  661    H    LYS  86           H        LYS  86   7.473  -7.495  -3.406
  662    HA   LYS  86           HA       LYS  86   5.002  -6.330  -2.304
  663   1HB   LYS  86          1HB       LYS  86   4.042  -8.604  -2.417
  664   2HB   LYS  86          2HB       LYS  86   4.498  -7.987  -3.999
  665   1HG   LYS  86          1HG       LYS  86   6.558  -9.318  -3.911
  666   2HG   LYS  86          2HG       LYS  86   6.058  -9.962  -2.346
  667   1HD   LYS  86          1HD       LYS  86   4.060 -10.923  -3.377
  668   2HD   LYS  86          2HD       LYS  86   4.554 -10.274  -4.943
  669   1HE   LYS  86          1HE       LYS  86   6.586 -11.637  -4.862
  670   2HE   LYS  86          2HE       LYS  86   6.087 -12.286  -3.299
  671   1HZ   LYS  86          1HZ       LYS  86   4.540 -13.616  -4.240
  672   2HZ   LYS  86          2HZ       LYS  86   5.574 -13.509  -5.574
  673   3HZ   LYS  86          3HZ       LYS  86   4.190 -12.539  -5.499
  674    H    VAL  87           H        VAL  87   5.118  -6.039  -0.188
  675    HA   VAL  87           HA       VAL  87   6.644  -7.988   1.414
  676    HB   VAL  87           HB       VAL  87   6.215  -5.064   2.044
  677   1HG1  VAL  87          1HG1      VAL  87   8.020  -5.563   3.757
  678   2HG1  VAL  87          2HG1      VAL  87   7.686  -7.268   3.462
  679   3HG1  VAL  87          3HG1      VAL  87   6.416  -6.218   4.088
  680   1HG2  VAL  87          1HG2      VAL  87   8.333  -6.503   0.580
  681   2HG2  VAL  87          2HG2      VAL  87   8.879  -5.323   1.770
  682   3HG2  VAL  87          3HG2      VAL  87   7.808  -4.823   0.462
  683    H    VAL  88           H        VAL  88   4.703  -9.244   1.643
  684    HA   VAL  88           HA       VAL  88   2.296  -8.269   2.703
  685    HB   VAL  88           HB       VAL  88   2.288 -10.424   1.677
  686   1HG1  VAL  88          1HG1      VAL  88   3.518 -12.279   3.193
  687   2HG1  VAL  88          2HG1      VAL  88   4.587 -10.904   3.470
  688   3HG1  VAL  88          3HG1      VAL  88   4.287 -11.474   1.827
  689   1HG2  VAL  88          1HG2      VAL  88   1.157 -11.772   3.307
  690   2HG2  VAL  88          2HG2      VAL  88   0.756 -10.083   3.615
  691   3HG2  VAL  88          3HG2      VAL  88   1.933 -10.910   4.634
  692    H    GLY  89           H        GLY  89   2.887  -6.824   4.381
  693   1HA   GLY  89          1HA       GLY  89   2.455  -7.230   6.891
  694   2HA   GLY  89          2HA       GLY  89   3.998  -8.066   6.807
  695    H    ALA  90           H        ALA  90   2.540  -5.189   7.545
  696    HA   ALA  90           HA       ALA  90   4.840  -3.530   6.812
  697   1HB   ALA  90          1HB       ALA  90   2.509  -2.400   8.266
  698   2HB   ALA  90          2HB       ALA  90   2.270  -2.927   6.598
  699   3HB   ALA  90          3HB       ALA  90   3.486  -1.704   6.972
  700    H    ASN  91           H        ASN  91   5.277  -5.511   8.770
  701    HA   ASN  91           HA       ASN  91   5.094  -4.453  11.399
  702   1HB   ASN  91          1HB       ASN  91   5.342  -6.860  10.983
  703   2HB   ASN  91          2HB       ASN  91   6.938  -6.583  10.291
  704   1HD2  ASN  91          1HD2      ASN  91   8.520  -7.072  11.609
  705   2HD2  ASN  91          2HD2      ASN  91   8.503  -6.925  13.330
  706    HA   PRO  92           HA       PRO  92   8.178  -1.244  11.276
  707   1HB   PRO  92          1HB       PRO  92   8.628  -2.294  14.045
  708   2HB   PRO  92          2HB       PRO  92   8.495  -0.620  13.488
  709   1HG   PRO  92          1HG       PRO  92   6.428  -1.766  14.667
  710   2HG   PRO  92          2HG       PRO  92   6.184  -0.753  13.229
  711   1HD   PRO  92          1HD       PRO  92   6.108  -3.724  13.488
  712   2HD   PRO  92          2HD       PRO  92   5.153  -2.655  12.438
  713    H    ALA  93           H        ALA  93   9.552  -2.381   9.778
  714    HA   ALA  93           HA       ALA  93  12.142  -2.806  10.617
  715   1HB   ALA  93          1HB       ALA  93  10.473  -5.269  10.739
  716   2HB   ALA  93          2HB       ALA  93  11.789  -4.742  11.789
  717   3HB   ALA  93          3HB       ALA  93  12.144  -5.400  10.191
  718    H    ALA  94           H        ALA  94   9.631  -3.717   8.324
  719    HA   ALA  94           HA       ALA  94  11.655  -3.580   6.192
  720   1HB   ALA  94          1HB       ALA  94  10.075  -5.069   4.882
  721   2HB   ALA  94          2HB       ALA  94   9.241  -5.352   6.409
  722   3HB   ALA  94          3HB       ALA  94  10.931  -5.821   6.228
  723    H    ILE  95           H        ILE  95   8.244  -2.935   6.961
  724    HA   ILE  95           HA       ILE  95   7.487  -1.684   4.629
  725    HB   ILE  95           HB       ILE  95   5.874  -2.104   6.347
  726   1HG1  ILE  95          1HG1      ILE  95   4.668  -0.006   6.432
  727   2HG1  ILE  95          2HG1      ILE  95   6.137   0.898   6.086
  728   1HG2  ILE  95          1HG2      ILE  95   6.029  -0.333   8.350
  729   2HG2  ILE  95          2HG2      ILE  95   7.745  -0.546   8.007
  730   3HG2  ILE  95          3HG2      ILE  95   6.748  -1.941   8.419
  731   1HD1  ILE  95          1HD1      ILE  95   6.018  -0.755   3.940
  732   2HD1  ILE  95          2HD1      ILE  95   5.360   0.878   3.990
  733   3HD1  ILE  95          3HD1      ILE  95   4.307  -0.503   4.284
  734    H    LYS  96           H        LYS  96   9.856  -0.638   6.882
  735    HA   LYS  96           HA       LYS  96   9.691   2.144   6.013
  736   1HB   LYS  96          1HB       LYS  96  11.494   2.551   7.645
  737   2HB   LYS  96          2HB       LYS  96  10.091   1.786   8.376
  738   1HG   LYS  96          1HG       LYS  96  11.233  -0.368   8.337
  739   2HG   LYS  96          2HG       LYS  96  12.633   0.387   7.578
  740   1HD   LYS  96          1HD       LYS  96  12.945   0.089   9.997
  741   2HD   LYS  96          2HD       LYS  96  12.978   1.788   9.527
  742   1HE   LYS  96          1HE       LYS  96  11.686   1.505  11.559
  743   2HE   LYS  96          2HE       LYS  96  10.638   2.015  10.237
  744   1HZ   LYS  96          1HZ       LYS  96   9.446   0.325  11.221
  745   2HZ   LYS  96          2HZ       LYS  96  10.814  -0.613  11.550
  746   3HZ   LYS  96          3HZ       LYS  96  10.227  -0.500   9.968
  747    H    GLN  97           H        GLN  97  12.022  -0.531   5.990
  748    HA   GLN  97           HA       GLN  97  13.941   0.836   4.401
  749   1HB   GLN  97          1HB       GLN  97  13.566  -2.136   4.825
  750   2HB   GLN  97          2HB       GLN  97  15.004  -1.365   4.169
  751   1HG   GLN  97          1HG       GLN  97  15.379  -0.228   6.286
  752   2HG   GLN  97          2HG       GLN  97  13.919  -0.962   6.947
  753   1HE2  GLN  97          1HE2      GLN  97  17.154  -1.170   6.962
  754   2HE2  GLN  97          2HE2      GLN  97  17.354  -2.851   7.307
  755    H    ALA  98           H        ALA  98  11.169  -1.169   3.724
  756    HA   ALA  98           HA       ALA  98  11.736  -1.773   1.031
  757   1HB   ALA  98          1HB       ALA  98   9.058  -1.809   1.032
  758   2HB   ALA  98          2HB       ALA  98   9.351  -1.855   2.771
  759   3HB   ALA  98          3HB       ALA  98  10.040  -3.098   1.727
  760    H    ILE  99           H        ILE  99  10.352   1.023   2.592
  761    HA   ILE  99           HA       ILE  99   9.575   2.232   0.064
  762    HB   ILE  99           HB       ILE  99   9.436   3.397   2.849
  763   1HG1  ILE  99          1HG1      ILE  99   7.318   1.978   1.220
  764   2HG1  ILE  99          2HG1      ILE  99   8.104   1.341   2.657
  765   1HG2  ILE  99          1HG2      ILE  99   7.714   4.873   1.786
  766   2HG2  ILE  99          2HG2      ILE  99   8.209   4.226   0.223
  767   3HG2  ILE  99          3HG2      ILE  99   9.358   5.132   1.205
  768   1HD1  ILE  99          1HD1      ILE  99   5.741   2.773   2.552
  769   2HD1  ILE  99          2HD1      ILE  99   6.927   3.927   3.161
  770   3HD1  ILE  99          3HD1      ILE  99   6.683   2.392   3.992
  771    H    ALA 100           H        ALA 100  12.385   2.010   1.882
  772    HA   ALA 100           HA       ALA 100  13.355   4.678   1.250
  773   1HB   ALA 100          1HB       ALA 100  14.914   4.367   2.845
  774   2HB   ALA 100          2HB       ALA 100  15.232   2.702   2.359
  775   3HB   ALA 100          3HB       ALA 100  13.833   3.073   3.365
  776    H    ALA 101           H        ALA 101  14.822   1.455   0.852
  777    HA   ALA 101           HA       ALA 101  16.641   2.124  -1.110
  778   1HB   ALA 101          1HB       ALA 101  15.392  -0.385  -0.189
  779   2HB   ALA 101          2HB       ALA 101  17.094   0.038  -0.371
  780   3HB   ALA 101          3HB       ALA 101  16.145  -0.429  -1.782
  781    H    ASN 102           H        ASN 102  13.216   1.511  -1.413
  782    HA   ASN 102           HA       ASN 102  13.288   1.275  -4.277
  783   1HB   ASN 102          1HB       ASN 102  11.040   1.498  -2.270
  784   2HB   ASN 102          2HB       ASN 102  10.796   1.308  -4.004
  785   1HD2  ASN 102          1HD2      ASN 102  13.530  -0.394  -3.349
  786   2HD2  ASN 102          2HD2      ASN 102  12.839  -1.946  -3.058
  787    H    ALA 103           H        ALA 103  12.020   3.652  -1.945
  788    HA   ALA 103           HA       ALA 103  11.658   5.589  -4.091
  789   1HB   ALA 103          1HB       ALA 103  10.025   6.400  -2.823
  790   2HB   ALA 103          2HB       ALA 103  11.123   6.638  -1.463
  791   3HB   ALA 103          3HB       ALA 103  10.324   5.083  -1.690
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  -0.120  13.129   5.533
    2   2H    MET   1          2H        MET   1   0.866  12.271   4.420
    3   3H    MET   1          3H        MET   1   0.071  11.433   5.690
    4    HA   MET   1           HA       MET   1  -2.049  12.276   4.696
    5   1HB   MET   1          1HB       MET   1  -0.980  13.960   3.270
    6   2HB   MET   1          2HB       MET   1  -0.117  12.695   2.405
    7   1HG   MET   1          1HG       MET   1  -2.007  13.478   1.118
    8   2HG   MET   1          2HG       MET   1  -2.234  11.797   1.594
    9   1HE   MET   1          1HE       MET   1  -4.347  15.330   3.679
   10   2HE   MET   1          2HE       MET   1  -3.256  15.532   2.309
   11   3HE   MET   1          3HE       MET   1  -2.630  14.974   3.861
   12    H    VAL   2           H        VAL   2  -3.244  10.699   3.574
   13    HA   VAL   2           HA       VAL   2  -2.160   8.578   2.103
   14    HB   VAL   2           HB       VAL   2  -1.136   7.960   4.268
   15   1HG1  VAL   2          1HG1      VAL   2  -2.685   7.019   6.022
   16   2HG1  VAL   2          2HG1      VAL   2  -4.002   7.830   5.172
   17   3HG1  VAL   2          3HG1      VAL   2  -2.682   8.775   5.860
   18   1HG2  VAL   2          1HG2      VAL   2  -3.044   6.219   2.823
   19   2HG2  VAL   2          2HG2      VAL   2  -2.398   5.618   4.349
   20   3HG2  VAL   2          3HG2      VAL   2  -1.302   6.060   3.045
   21    H    THR   3           H        THR   3  -3.770   7.388   1.142
   22    HA   THR   3           HA       THR   3  -6.473   7.538   2.256
   23    HB   THR   3           HB       THR   3  -5.762   8.349  -0.570
   24    HG1  THR   3           HG1      THR   3  -5.812  10.297   0.166
   25   1HG2  THR   3          1HG2      THR   3  -8.143   9.000  -0.744
   26   2HG2  THR   3          2HG2      THR   3  -8.444   8.150   0.772
   27   3HG2  THR   3          3HG2      THR   3  -7.885   7.257  -0.642
   28    H    GLN   4           H        GLN   4  -8.003   6.080   1.149
   29    HA   GLN   4           HA       GLN   4  -6.671   3.571   0.426
   30   1HB   GLN   4          1HB       GLN   4  -9.580   4.089   1.072
   31   2HB   GLN   4          2HB       GLN   4  -8.810   2.519   0.908
   32   1HG   GLN   4          1HG       GLN   4  -7.485   2.910   2.873
   33   2HG   GLN   4          2HG       GLN   4  -8.113   4.549   3.014
   34   1HE2  GLN   4          1HE2      GLN   4 -10.625   2.662   1.979
   35   2HE2  GLN   4          2HE2      GLN   4 -11.331   2.276   3.505
   36    H    PHE   5           H        PHE   5  -8.356   2.216  -1.063
   37    HA   PHE   5           HA       PHE   5  -9.174   3.916  -3.307
   38   1HB   PHE   5          1HB       PHE   5  -7.458   1.437  -3.517
   39   2HB   PHE   5          2HB       PHE   5  -8.261   2.203  -4.894
   40    HD1  PHE   5           HD1      PHE   5  -7.812   5.076  -4.077
   41    HD2  PHE   5           HD2      PHE   5  -5.217   1.699  -4.146
   42    HE1  PHE   5           HE1      PHE   5  -5.885   6.570  -4.419
   43    HE2  PHE   5           HE2      PHE   5  -3.290   3.192  -4.487
   44    HZ   PHE   5           HZ       PHE   5  -3.621   5.625  -4.625
   45    H    LYS   6           H        LYS   6 -11.330   3.641  -3.174
   46    HA   LYS   6           HA       LYS   6 -12.482   1.039  -2.644
   47   1HB   LYS   6          1HB       LYS   6 -13.676   3.756  -3.184
   48   2HB   LYS   6          2HB       LYS   6 -14.662   2.309  -3.036
   49   1HG   LYS   6          1HG       LYS   6 -12.808   3.364  -0.914
   50   2HG   LYS   6          2HG       LYS   6 -14.557   3.602  -0.956
   51   1HD   LYS   6          1HD       LYS   6 -14.860   1.152  -0.884
   52   2HD   LYS   6          2HD       LYS   6 -13.112   0.959  -0.765
   53   1HE   LYS   6          1HE       LYS   6 -14.163   0.799   1.430
   54   2HE   LYS   6          2HE       LYS   6 -13.110   2.210   1.331
   55   1HZ   LYS   6          1HZ       LYS   6 -14.930   3.644   1.201
   56   2HZ   LYS   6          2HZ       LYS   6 -15.378   2.525   2.388
   57   3HZ   LYS   6          3HZ       LYS   6 -16.016   2.402   0.826
   58    H    THR   7           H        THR   7 -11.718   3.018  -5.380
   59    HA   THR   7           HA       THR   7 -12.890   0.976  -7.140
   60    HB   THR   7           HB       THR   7 -13.441   2.757  -8.766
   61    HG1  THR   7           HG1      THR   7 -12.760   4.519  -6.653
   62   1HG2  THR   7          1HG2      THR   7 -15.357   3.718  -7.665
   63   2HG2  THR   7          2HG2      THR   7 -14.700   3.285  -6.087
   64   3HG2  THR   7          3HG2      THR   7 -15.190   2.021  -7.214
   65    H    ALA   8           H        ALA   8 -11.407   0.063  -8.398
   66    HA   ALA   8           HA       ALA   8  -8.719   0.644  -8.366
   67   1HB   ALA   8          1HB       ALA   8  -9.497  -1.478  -9.163
   68   2HB   ALA   8          2HB       ALA   8  -8.562  -0.714 -10.449
   69   3HB   ALA   8          3HB       ALA   8 -10.324  -0.717 -10.522
   70    H    SER   9           H        SER   9 -11.205   2.174 -10.222
   71    HA   SER   9           HA       SER   9  -9.677   3.280 -12.286
   72   1HB   SER   9          1HB       SER   9 -12.107   4.425 -10.888
   73   2HB   SER   9          2HB       SER   9 -11.468   4.985 -12.434
   74    HG   SER   9           HG       SER   9 -11.848   2.839 -13.229
   75    H    GLU  10           H        GLU  10  -9.692   3.938  -8.922
   76    HA   GLU  10           HA       GLU  10  -8.567   6.580  -9.224
   77   1HB   GLU  10          1HB       GLU  10  -9.193   4.958  -6.764
   78   2HB   GLU  10          2HB       GLU  10  -8.555   6.596  -6.737
   79   1HG   GLU  10          1HG       GLU  10 -10.552   7.402  -7.874
   80   2HG   GLU  10          2HG       GLU  10 -11.190   5.759  -7.925
   81    H    PHE  11           H        PHE  11  -7.622   3.426  -8.046
   82    HA   PHE  11           HA       PHE  11  -4.989   4.151  -7.297
   83   1HB   PHE  11          1HB       PHE  11  -6.245   2.140  -6.466
   84   2HB   PHE  11          2HB       PHE  11  -5.988   1.397  -8.039
   85    HD1  PHE  11           HD1      PHE  11  -5.030  -0.373  -6.379
   86    HD2  PHE  11           HD2      PHE  11  -3.187   3.375  -7.204
   87    HE1  PHE  11           HE1      PHE  11  -2.875  -1.258  -5.590
   88    HE2  PHE  11           HE2      PHE  11  -1.033   2.493  -6.423
   89    HZ   PHE  11           HZ       PHE  11  -0.877   0.178  -5.614
   90    H    ASP  12           H        ASP  12  -6.452   3.095 -10.286
   91    HA   ASP  12           HA       ASP  12  -4.295   2.169 -11.724
   92   1HB   ASP  12          1HB       ASP  12  -6.598   2.156 -12.575
   93   2HB   ASP  12          2HB       ASP  12  -6.554   3.908 -12.742
   94    H    SER  13           H        SER  13  -5.494   5.521 -11.993
   95    HA   SER  13           HA       SER  13  -3.221   6.506 -13.298
   96   1HB   SER  13          1HB       SER  13  -5.231   8.000 -11.597
   97   2HB   SER  13          2HB       SER  13  -4.092   8.744 -12.717
   98    HG   SER  13           HG       SER  13  -6.447   8.044 -13.336
   99    H    ALA  14           H        ALA  14  -3.745   5.783  -9.978
  100    HA   ALA  14           HA       ALA  14  -2.054   7.577  -8.698
  101   1HB   ALA  14          1HB       ALA  14  -3.571   5.447  -7.917
  102   2HB   ALA  14          2HB       ALA  14  -2.481   6.356  -6.870
  103   3HB   ALA  14          3HB       ALA  14  -1.934   4.858  -7.625
  104    H    ILE  15           H        ILE  15  -1.179   4.208  -9.492
  105    HA   ILE  15           HA       ILE  15   1.543   4.453  -9.034
  106    HB   ILE  15           HB       ILE  15   1.844   2.452 -10.410
  107   1HG1  ILE  15          1HG1      ILE  15  -1.064   2.880 -11.140
  108   2HG1  ILE  15          2HG1      ILE  15   0.310   2.950 -12.238
  109   1HG2  ILE  15          1HG2      ILE  15   0.853   2.477  -8.052
  110   2HG2  ILE  15          2HG2      ILE  15   0.681   1.001  -9.001
  111   3HG2  ILE  15          3HG2      ILE  15  -0.683   2.107  -8.835
  112   1HD1  ILE  15          1HD1      ILE  15   0.619   0.654 -12.197
  113   2HD1  ILE  15          2HD1      ILE  15  -1.135   0.835 -12.208
  114   3HD1  ILE  15          3HD1      ILE  15  -0.295   0.458 -10.702
  115    H    ALA  16           H        ALA  16  -0.185   4.836 -12.124
  116    HA   ALA  16           HA       ALA  16   1.842   5.172 -13.886
  117   1HB   ALA  16          1HB       ALA  16   0.242   7.089 -14.823
  118   2HB   ALA  16          2HB       ALA  16  -0.860   6.345 -13.666
  119   3HB   ALA  16          3HB       ALA  16  -0.143   5.373 -14.950
  120    H    GLN  17           H        GLN  17   3.715   6.162 -13.428
  121    HA   GLN  17           HA       GLN  17   5.213   7.758 -12.776
  122   1HB   GLN  17          1HB       GLN  17   3.188   9.416 -14.278
  123   2HB   GLN  17          2HB       GLN  17   4.783   9.994 -13.814
  124   1HG   GLN  17          1HG       GLN  17   5.817   8.240 -15.160
  125   2HG   GLN  17          2HG       GLN  17   4.214   7.658 -15.626
  126   1HE2  GLN  17          1HE2      GLN  17   3.708   8.235 -17.595
  127   2HE2  GLN  17          2HE2      GLN  17   4.100   9.731 -18.365
  128    H    ASP  18           H        ASP  18   5.072   7.746 -10.549
  129    HA   ASP  18           HA       ASP  18   4.245  10.156  -9.340
  130   1HB   ASP  18          1HB       ASP  18   2.014   9.153  -9.601
  131   2HB   ASP  18          2HB       ASP  18   2.549   7.731  -8.712
  132    H    LYS  19           H        LYS  19   6.614   8.611  -9.422
  133    HA   LYS  19           HA       LYS  19   8.294   7.906  -8.036
  134   1HB   LYS  19          1HB       LYS  19   6.482   9.133  -5.968
  135   2HB   LYS  19          2HB       LYS  19   8.137   8.645  -5.660
  136   1HG   LYS  19          1HG       LYS  19   8.219  10.957  -5.978
  137   2HG   LYS  19          2HG       LYS  19   8.824  10.250  -7.477
  138   1HD   LYS  19          1HD       LYS  19   7.319  12.098  -7.951
  139   2HD   LYS  19          2HD       LYS  19   6.617  10.583  -8.511
  140   1HE   LYS  19          1HE       LYS  19   4.949  11.978  -7.402
  141   2HE   LYS  19          2HE       LYS  19   5.221  10.483  -6.510
  142   1HZ   LYS  19          1HZ       LYS  19   6.850  12.758  -5.721
  143   2HZ   LYS  19          2HZ       LYS  19   6.104  11.576  -4.768
  144   3HZ   LYS  19          3HZ       LYS  19   5.199  12.873  -5.368
  145    H    LEU  20           H        LEU  20   7.927   6.941  -5.321
  146    HA   LEU  20           HA       LEU  20   6.881   4.308  -6.002
  147   1HB   LEU  20          1HB       LEU  20   9.128   4.333  -5.122
  148   2HB   LEU  20          2HB       LEU  20   8.611   5.272  -3.721
  149    HG   LEU  20           HG       LEU  20   7.211   3.341  -3.008
  150   1HD1  LEU  20          1HD1      LEU  20   8.551   1.305  -4.495
  151   2HD1  LEU  20          2HD1      LEU  20   7.763   2.424  -5.609
  152   3HD1  LEU  20          3HD1      LEU  20   6.823   1.628  -4.347
  153   1HD2  LEU  20          1HD2      LEU  20  10.181   3.156  -3.273
  154   2HD2  LEU  20          2HD2      LEU  20   9.278   1.837  -2.529
  155   3HD2  LEU  20          3HD2      LEU  20   9.199   3.459  -1.840
  156    H    VAL  21           H        VAL  21   4.888   3.871  -5.465
  157    HA   VAL  21           HA       VAL  21   3.654   5.243  -3.188
  158    HB   VAL  21           HB       VAL  21   2.325   3.726  -5.439
  159   1HG1  VAL  21          1HG1      VAL  21   1.024   5.583  -3.465
  160   2HG1  VAL  21          2HG1      VAL  21   1.123   3.840  -3.212
  161   3HG1  VAL  21          3HG1      VAL  21   0.250   4.480  -4.603
  162   1HG2  VAL  21          1HG2      VAL  21   3.006   6.606  -5.057
  163   2HG2  VAL  21          2HG2      VAL  21   1.536   6.172  -5.930
  164   3HG2  VAL  21          3HG2      VAL  21   3.104   5.609  -6.509
  165    H    VAL  22           H        VAL  22   3.198   4.160  -1.390
  166    HA   VAL  22           HA       VAL  22   3.514   1.246  -1.397
  167    HB   VAL  22           HB       VAL  22   3.383   3.135   0.958
  168   1HG1  VAL  22          1HG1      VAL  22   3.390   0.230   0.712
  169   2HG1  VAL  22          2HG1      VAL  22   2.993   1.251   2.096
  170   3HG1  VAL  22          3HG1      VAL  22   4.674   0.840   1.756
  171   1HG2  VAL  22          1HG2      VAL  22   5.412   3.006  -0.830
  172   2HG2  VAL  22          2HG2      VAL  22   5.904   1.764   0.321
  173   3HG2  VAL  22          3HG2      VAL  22   5.614   3.414   0.873
  174    H    VAL  23           H        VAL  23   1.532   0.562  -2.146
  175    HA   VAL  23           HA       VAL  23  -0.856   1.451  -0.704
  176    HB   VAL  23           HB       VAL  23  -0.680  -0.261  -3.188
  177   1HG1  VAL  23          1HG1      VAL  23  -3.026   1.166  -1.934
  178   2HG1  VAL  23          2HG1      VAL  23  -2.741  -0.574  -1.906
  179   3HG1  VAL  23          3HG1      VAL  23  -3.053   0.244  -3.437
  180   1HG2  VAL  23          1HG2      VAL  23  -0.071   1.649  -4.185
  181   2HG2  VAL  23          2HG2      VAL  23  -0.516   2.631  -2.788
  182   3HG2  VAL  23          3HG2      VAL  23  -1.748   2.140  -3.949
  183    H    ASP  24           H        ASP  24  -1.831   0.216   0.745
  184    HA   ASP  24           HA       ASP  24  -0.864  -2.520   1.121
  185   1HB   ASP  24          1HB       ASP  24  -0.722  -1.012   3.059
  186   2HB   ASP  24          2HB       ASP  24  -2.468  -0.738   2.973
  187    H    PHE  25           H        PHE  25  -2.130  -4.249   0.754
  188    HA   PHE  25           HA       PHE  25  -4.866  -3.785  -0.138
  189   1HB   PHE  25          1HB       PHE  25  -2.899  -6.051  -0.457
  190   2HB   PHE  25          2HB       PHE  25  -4.593  -6.203  -0.916
  191    HD1  PHE  25           HD1      PHE  25  -2.044  -3.498  -1.421
  192    HD2  PHE  25           HD2      PHE  25  -4.799  -6.230  -3.163
  193    HE1  PHE  25           HE1      PHE  25  -1.487  -2.623  -3.656
  194    HE2  PHE  25           HE2      PHE  25  -4.263  -5.350  -5.392
  195    HZ   PHE  25           HZ       PHE  25  -2.611  -3.543  -5.643
  196    H    TYR  26           H        TYR  26  -4.805  -3.473   2.500
  197    HA   TYR  26           HA       TYR  26  -4.884  -5.648   4.181
  198   1HB   TYR  26          1HB       TYR  26  -6.598  -4.239   5.503
  199   2HB   TYR  26          2HB       TYR  26  -4.989  -3.578   5.247
  200    HD1  TYR  26           HD1      TYR  26  -8.253  -3.595   3.393
  201    HD2  TYR  26           HD2      TYR  26  -4.936  -1.323   4.782
  202    HE1  TYR  26           HE1      TYR  26  -9.236  -1.573   2.421
  203    HE2  TYR  26           HE2      TYR  26  -5.920   0.706   3.840
  204    HH   TYR  26           HH       TYR  26  -7.653   1.130   1.797
  205    H    ALA  27           H        ALA  27  -6.115  -7.383   4.365
  206    HA   ALA  27           HA       ALA  27  -8.074  -8.117   2.573
  207   1HB   ALA  27          1HB       ALA  27  -7.537  -9.049   5.377
  208   2HB   ALA  27          2HB       ALA  27  -7.085  -9.820   3.857
  209   3HB   ALA  27          3HB       ALA  27  -8.776  -9.781   4.359
  210    H    THR  28           H        THR  28 -10.359  -8.368   2.758
  211    HA   THR  28           HA       THR  28 -11.585  -6.154   4.211
  212    HB   THR  28           HB       THR  28 -12.092  -6.262   1.847
  213    HG1  THR  28           HG1      THR  28 -14.423  -6.488   2.037
  214   1HG2  THR  28          1HG2      THR  28 -13.799  -8.562   1.780
  215   2HG2  THR  28          2HG2      THR  28 -12.150  -9.036   2.190
  216   3HG2  THR  28          3HG2      THR  28 -12.463  -8.124   0.715
  217    H    TRP  29           H        TRP  29 -10.749  -8.780   5.428
  218    HA   TRP  29           HA       TRP  29 -13.296  -9.351   6.747
  219   1HB   TRP  29          1HB       TRP  29 -12.627 -11.825   6.700
  220   2HB   TRP  29          2HB       TRP  29 -13.247 -11.120   5.198
  221    HD1  TRP  29           HD1      TRP  29 -11.446 -10.657   3.233
  222    HE1  TRP  29           HE1      TRP  29  -9.168 -11.747   2.739
  223    HE3  TRP  29           HE3      TRP  29 -10.583 -12.830   7.777
  224    HZ2  TRP  29           HZ2      TRP  29  -7.252 -13.305   4.096
  225    HZ3  TRP  29           HZ3      TRP  29  -8.497 -14.093   8.103
  226    HH2  TRP  29           HH2      TRP  29  -6.868 -14.328   6.299
  227    H    CYS  30           H        CYS  30  -9.773  -9.683   6.773
  228    HA   CYS  30           HA       CYS  30  -9.120 -10.868   9.067
  229   1HB   CYS  30          1HB       CYS  30  -7.468  -9.769   7.652
  230   2HB   CYS  30          2HB       CYS  30  -8.034  -8.186   8.181
  231    HG   CYS  30           HG       CYS  30  -7.015  -9.872  10.490
  232    H    GLY  31           H        GLY  31  -8.844 -10.350  11.270
  233   1HA   GLY  31          1HA       GLY  31 -11.010  -9.124  12.519
  234   2HA   GLY  31          2HA       GLY  31  -9.477  -9.485  13.299
  235    HA   PRO  32           HA       PRO  32  -8.696  -5.166  13.592
  236   1HB   PRO  32          1HB       PRO  32  -5.850  -5.451  13.078
  237   2HB   PRO  32          2HB       PRO  32  -6.674  -5.134  14.603
  238   1HG   PRO  32          1HG       PRO  32  -5.399  -7.478  14.044
  239   2HG   PRO  32          2HG       PRO  32  -6.765  -7.346  15.165
  240   1HD   PRO  32          1HD       PRO  32  -6.722  -8.295  12.328
  241   2HD   PRO  32          2HD       PRO  32  -7.638  -8.923  13.716
  242    H    CYS  33           H        CYS  33  -6.079  -5.975  11.334
  243    HA   CYS  33           HA       CYS  33  -5.397  -4.840   9.449
  244   1HB   CYS  33          1HB       CYS  33  -6.934  -5.225   7.563
  245   2HB   CYS  33          2HB       CYS  33  -6.772  -6.660   8.586
  246    HG   CYS  33           HG       CYS  33  -9.174  -6.555   9.137
  247    H    LYS  34           H        LYS  34  -6.544  -3.026  11.434
  248    HA   LYS  34           HA       LYS  34  -7.375  -0.885   9.600
  249   1HB   LYS  34          1HB       LYS  34  -8.610  -1.577  12.261
  250   2HB   LYS  34          2HB       LYS  34  -8.817  -0.006  11.501
  251   1HG   LYS  34          1HG       LYS  34  -9.887  -1.033   9.591
  252   2HG   LYS  34          2HG       LYS  34  -9.611  -2.636  10.268
  253   1HD   LYS  34          1HD       LYS  34 -11.905  -1.912  10.661
  254   2HD   LYS  34          2HD       LYS  34 -11.027  -2.064  12.185
  255   1HE   LYS  34          1HE       LYS  34 -12.377  -0.038  12.159
  256   2HE   LYS  34          2HE       LYS  34 -10.660   0.352  12.218
  257   1HZ   LYS  34          1HZ       LYS  34 -11.463   0.204   9.530
  258   2HZ   LYS  34          2HZ       LYS  34 -10.898   1.548  10.387
  259   3HZ   LYS  34          3HZ       LYS  34 -12.552   1.202  10.354
  260    H    MET  35           H        MET  35  -5.834  -1.791  12.631
  261    HA   MET  35           HA       MET  35  -5.039   0.744  13.496
  262   1HB   MET  35          1HB       MET  35  -4.892  -1.252  14.903
  263   2HB   MET  35          2HB       MET  35  -3.659  -1.926  13.851
  264   1HG   MET  35          1HG       MET  35  -3.218   0.704  15.197
  265   2HG   MET  35          2HG       MET  35  -2.980  -0.804  16.078
  266   1HE   MET  35          1HE       MET  35  -1.033  -2.600  13.308
  267   2HE   MET  35          2HE       MET  35  -2.033  -2.744  14.753
  268   3HE   MET  35          3HE       MET  35  -0.285  -2.570  14.904
  269    H    ILE  36           H        ILE  36  -4.044  -1.029  10.772
  270    HA   ILE  36           HA       ILE  36  -1.404   0.038  10.522
  271    HB   ILE  36           HB       ILE  36  -3.223  -1.299   8.519
  272   1HG1  ILE  36          1HG1      ILE  36  -1.545  -3.172   8.820
  273   2HG1  ILE  36          2HG1      ILE  36  -0.893  -2.262  10.179
  274   1HG2  ILE  36          1HG2      ILE  36  -0.548  -0.070   8.229
  275   2HG2  ILE  36          2HG2      ILE  36  -1.864  -0.224   7.067
  276   3HG2  ILE  36          3HG2      ILE  36  -0.829  -1.610   7.414
  277   1HD1  ILE  36          1HD1      ILE  36  -2.594  -4.138  10.623
  278   2HD1  ILE  36          2HD1      ILE  36  -3.792  -2.959  10.086
  279   3HD1  ILE  36          3HD1      ILE  36  -2.769  -2.606  11.477
  280    H    ALA  37           H        ALA  37  -4.597   0.903   9.287
  281    HA   ALA  37           HA       ALA  37  -4.033   2.714   7.329
  282   1HB   ALA  37          1HB       ALA  37  -6.287   2.333   7.675
  283   2HB   ALA  37          2HB       ALA  37  -6.091   3.984   8.265
  284   3HB   ALA  37          3HB       ALA  37  -6.181   2.645   9.408
  285    HA   PRO  38           HA       PRO  38  -3.310   6.252  10.515
  286   1HB   PRO  38          1HB       PRO  38  -2.699   5.532  13.071
  287   2HB   PRO  38          2HB       PRO  38  -4.347   5.883  12.531
  288   1HG   PRO  38          1HG       PRO  38  -3.017   3.258  12.995
  289   2HG   PRO  38          2HG       PRO  38  -4.694   3.739  13.300
  290   1HD   PRO  38          1HD       PRO  38  -3.878   2.260  11.140
  291   2HD   PRO  38          2HD       PRO  38  -5.338   3.246  11.159
  292    H    MET  39           H        MET  39  -1.620   3.205  10.974
  293    HA   MET  39           HA       MET  39   0.933   4.314  11.545
  294   1HB   MET  39          1HB       MET  39   0.378   1.975  12.047
  295   2HB   MET  39          2HB       MET  39   0.189   1.633  10.341
  296   1HG   MET  39          1HG       MET  39   2.530   2.100  10.002
  297   2HG   MET  39          2HG       MET  39   2.729   2.474  11.705
  298   1HE   MET  39          1HE       MET  39   2.418   0.637  13.655
  299   2HE   MET  39          2HE       MET  39   1.945  -1.032  13.330
  300   3HE   MET  39          3HE       MET  39   0.818   0.285  13.005
  301    H    ILE  40           H        ILE  40  -0.554   3.021   8.591
  302    HA   ILE  40           HA       ILE  40   1.459   3.450   6.759
  303    HB   ILE  40           HB       ILE  40  -1.536   3.758   6.417
  304   1HG1  ILE  40          1HG1      ILE  40   0.350   1.489   5.749
  305   2HG1  ILE  40          2HG1      ILE  40  -0.810   1.522   7.073
  306   1HG2  ILE  40          1HG2      ILE  40  -0.435   4.989   4.639
  307   2HG2  ILE  40          2HG2      ILE  40  -1.133   3.502   3.995
  308   3HG2  ILE  40          3HG2      ILE  40   0.603   3.605   4.289
  309   1HD1  ILE  40          1HD1      ILE  40  -2.652   1.541   5.520
  310   2HD1  ILE  40          2HD1      ILE  40  -1.571   0.202   5.135
  311   3HD1  ILE  40          3HD1      ILE  40  -1.540   1.668   4.156
  312    H    GLU  41           H        GLU  41  -0.608   5.754   8.334
  313    HA   GLU  41           HA       GLU  41  -0.017   7.935   6.563
  314   1HB   GLU  41          1HB       GLU  41  -2.137   7.858   7.748
  315   2HB   GLU  41          2HB       GLU  41  -1.303   7.848   9.297
  316   1HG   GLU  41          1HG       GLU  41  -0.446  10.094   8.841
  317   2HG   GLU  41          2HG       GLU  41  -1.287  10.099   7.291
  318    H    LYS  42           H        LYS  42   1.272   6.661   9.547
  319    HA   LYS  42           HA       LYS  42   2.779   8.946  10.289
  320   1HB   LYS  42          1HB       LYS  42   3.111   6.032  11.019
  321   2HB   LYS  42          2HB       LYS  42   4.005   7.353  11.763
  322   1HG   LYS  42          1HG       LYS  42   1.963   8.300  12.630
  323   2HG   LYS  42          2HG       LYS  42   1.008   7.077  11.794
  324   1HD   LYS  42          1HD       LYS  42   1.204   6.464  14.113
  325   2HD   LYS  42          2HD       LYS  42   2.150   5.335  13.144
  326   1HE   LYS  42          1HE       LYS  42   3.340   7.738  14.513
  327   2HE   LYS  42          2HE       LYS  42   3.237   6.151  15.271
  328   1HZ   LYS  42          1HZ       LYS  42   5.098   7.115  13.333
  329   2HZ   LYS  42          2HZ       LYS  42   4.372   5.672  12.830
  330   3HZ   LYS  42          3HZ       LYS  42   5.182   5.739  14.312
  331    H    PHE  43           H        PHE  43   3.241   6.615   7.839
  332    HA   PHE  43           HA       PHE  43   6.123   6.964   7.771
  333   1HB   PHE  43          1HB       PHE  43   4.239   5.309   6.092
  334   2HB   PHE  43          2HB       PHE  43   5.970   5.419   5.779
  335    HD1  PHE  43           HD1      PHE  43   3.799   4.900   8.769
  336    HD2  PHE  43           HD2      PHE  43   7.163   3.610   6.507
  337    HE1  PHE  43           HE1      PHE  43   4.206   3.105  10.403
  338    HE2  PHE  43           HE2      PHE  43   7.571   1.808   8.133
  339    HZ   PHE  43           HZ       PHE  43   6.092   1.554  10.084
  340    H    SER  44           H        SER  44   3.341   8.334   6.312
  341    HA   SER  44           HA       SER  44   4.522   9.221   3.895
  342   1HB   SER  44          1HB       SER  44   2.087   9.160   4.184
  343   2HB   SER  44          2HB       SER  44   2.198  10.393   5.452
  344    HG   SER  44           HG       SER  44   3.057  11.810   3.850
  345    H    GLU  45           H        GLU  45   5.000  10.146   7.114
  346    HA   GLU  45           HA       GLU  45   5.830  12.863   6.476
  347   1HB   GLU  45          1HB       GLU  45   4.595  12.382   8.570
  348   2HB   GLU  45          2HB       GLU  45   5.914  11.351   9.096
  349   1HG   GLU  45          1HG       GLU  45   6.274  14.268   8.484
  350   2HG   GLU  45          2HG       GLU  45   5.830  13.667  10.080
  351    H    GLN  46           H        GLN  46   7.154   9.714   6.796
  352    HA   GLN  46           HA       GLN  46   9.872  10.654   7.216
  353   1HB   GLN  46          1HB       GLN  46   8.942   7.832   6.686
  354   2HB   GLN  46          2HB       GLN  46  10.464   8.342   7.406
  355   1HG   GLN  46          1HG       GLN  46   9.286   9.180   9.352
  356   2HG   GLN  46          2HG       GLN  46   7.745   8.733   8.625
  357   1HE2  GLN  46          1HE2      GLN  46   9.739   7.858  10.947
  358   2HE2  GLN  46          2HE2      GLN  46   9.540   6.127  10.933
  359    H    TYR  47           H        TYR  47   7.873   9.270   4.655
  360    HA   TYR  47           HA       TYR  47  10.077   9.802   2.767
  361   1HB   TYR  47          1HB       TYR  47   8.044   7.566   2.648
  362   2HB   TYR  47          2HB       TYR  47   9.245   7.913   1.408
  363    HD1  TYR  47           HD1      TYR  47  11.727   7.856   2.152
  364    HD2  TYR  47           HD2      TYR  47   8.553   6.114   4.381
  365    HE1  TYR  47           HE1      TYR  47  13.347   6.427   3.327
  366    HE2  TYR  47           HE2      TYR  47  10.163   4.672   5.559
  367    HH   TYR  47           HH       TYR  47  12.410   3.767   5.232
  368    HA   PRO  48           HA       PRO  48   5.899  12.261   2.155
  369   1HB   PRO  48          1HB       PRO  48   8.169  14.141   1.645
  370   2HB   PRO  48          2HB       PRO  48   6.564  14.479   2.305
  371   1HG   PRO  48          1HG       PRO  48   8.726  14.227   3.887
  372   2HG   PRO  48          2HG       PRO  48   7.114  13.709   4.402
  373   1HD   PRO  48          1HD       PRO  48   9.466  12.081   3.736
  374   2HD   PRO  48          2HD       PRO  48   7.996  11.630   4.625
  375    H    GLN  49           H        GLN  49   8.915  11.898   0.400
  376    HA   GLN  49           HA       GLN  49   8.071  12.846  -2.096
  377   1HB   GLN  49          1HB       GLN  49  10.099  10.689  -1.480
  378   2HB   GLN  49          2HB       GLN  49   9.913  11.478  -3.041
  379   1HG   GLN  49          1HG       GLN  49  10.644  12.870  -0.473
  380   2HG   GLN  49          2HG       GLN  49  11.786  12.364  -1.714
  381   1HE2  GLN  49          1HE2      GLN  49   9.281  13.218  -3.537
  382   2HE2  GLN  49          2HE2      GLN  49   9.594  14.899  -3.752
  383    H    ALA  50           H        ALA  50   7.767   9.691  -0.586
  384    HA   ALA  50           HA       ALA  50   6.503   8.559  -2.948
  385   1HB   ALA  50          1HB       ALA  50   6.253   6.617  -1.114
  386   2HB   ALA  50          2HB       ALA  50   7.610   7.504  -0.419
  387   3HB   ALA  50          3HB       ALA  50   7.719   6.868  -2.061
  388    H    ASP  51           H        ASP  51   4.359   8.028  -3.116
  389    HA   ASP  51           HA       ASP  51   2.580   9.363  -1.239
  390   1HB   ASP  51          1HB       ASP  51   2.026   8.016  -3.888
  391   2HB   ASP  51          2HB       ASP  51   0.816   8.846  -2.917
  392    H    PHE  52           H        PHE  52   1.573   8.355   0.346
  393    HA   PHE  52           HA       PHE  52   1.590   5.435   0.372
  394   1HB   PHE  52          1HB       PHE  52   1.075   7.459   2.556
  395   2HB   PHE  52          2HB       PHE  52   0.948   5.708   2.781
  396    HD1  PHE  52           HD1      PHE  52   3.391   8.153   1.354
  397    HD2  PHE  52           HD2      PHE  52   2.749   4.689   3.737
  398    HE1  PHE  52           HE1      PHE  52   5.802   8.040   1.833
  399    HE2  PHE  52           HE2      PHE  52   5.155   4.568   4.221
  400    HZ   PHE  52           HZ       PHE  52   6.687   6.245   3.270
  401    H    TYR  53           H        TYR  53  -0.108   4.574  -0.594
  402    HA   TYR  53           HA       TYR  53  -2.778   5.657   0.024
  403   1HB   TYR  53          1HB       TYR  53  -1.691   4.387  -2.475
  404   2HB   TYR  53          2HB       TYR  53  -3.419   4.387  -2.141
  405    HD1  TYR  53           HD1      TYR  53  -4.384   6.777  -1.483
  406    HD2  TYR  53           HD2      TYR  53  -0.839   6.122  -3.738
  407    HE1  TYR  53           HE1      TYR  53  -4.584   9.031  -2.441
  408    HE2  TYR  53           HE2      TYR  53  -1.023   8.377  -4.698
  409    HH   TYR  53           HH       TYR  53  -3.528  10.086  -4.908
  410    H    LYS  54           H        LYS  54  -4.455   3.732  -0.556
  411    HA   LYS  54           HA       LYS  54  -3.483   1.227   0.592
  412   1HB   LYS  54          1HB       LYS  54  -6.016   2.468   1.641
  413   2HB   LYS  54          2HB       LYS  54  -5.105   1.118   2.295
  414   1HG   LYS  54          1HG       LYS  54  -3.349   2.572   3.030
  415   2HG   LYS  54          2HG       LYS  54  -4.102   3.954   2.229
  416   1HD   LYS  54          1HD       LYS  54  -6.082   3.645   3.711
  417   2HD   LYS  54          2HD       LYS  54  -5.188   2.394   4.574
  418   1HE   LYS  54          1HE       LYS  54  -3.489   4.016   5.192
  419   2HE   LYS  54          2HE       LYS  54  -4.321   5.263   4.264
  420   1HZ   LYS  54          1HZ       LYS  54  -4.684   4.771   6.896
  421   2HZ   LYS  54          2HZ       LYS  54  -6.002   3.970   6.202
  422   3HZ   LYS  54          3HZ       LYS  54  -5.762   5.618   5.906
  423    H    LEU  55           H        LEU  55  -4.648  -0.584  -0.032
  424    HA   LEU  55           HA       LEU  55  -6.577  -0.109  -2.197
  425   1HB   LEU  55          1HB       LEU  55  -4.428  -1.319  -2.696
  426   2HB   LEU  55          2HB       LEU  55  -4.984  -2.609  -1.650
  427    HG   LEU  55           HG       LEU  55  -5.322  -3.088  -4.054
  428   1HD1  LEU  55          1HD1      LEU  55  -7.186  -4.273  -3.640
  429   2HD1  LEU  55          2HD1      LEU  55  -8.088  -2.863  -3.087
  430   3HD1  LEU  55          3HD1      LEU  55  -6.965  -3.675  -1.996
  431   1HD2  LEU  55          1HD2      LEU  55  -5.964  -0.527  -4.365
  432   2HD2  LEU  55          2HD2      LEU  55  -7.587  -1.188  -4.181
  433   3HD2  LEU  55          3HD2      LEU  55  -6.531  -1.786  -5.461
  434    H    ASP  56           H        ASP  56  -8.630  -0.635  -1.897
  435    HA   ASP  56           HA       ASP  56  -9.465  -1.896   0.536
  436   1HB   ASP  56          1HB       ASP  56 -10.979  -0.803  -1.838
  437   2HB   ASP  56          2HB       ASP  56 -11.735  -1.418  -0.376
  438    H    VAL  57           H        VAL  57  -9.319  -4.048   0.683
  439    HA   VAL  57           HA       VAL  57  -9.499  -5.795  -1.570
  440    HB   VAL  57           HB       VAL  57  -9.570  -6.422   1.395
  441   1HG1  VAL  57          1HG1      VAL  57  -8.875  -8.716   0.626
  442   2HG1  VAL  57          2HG1      VAL  57  -9.303  -8.225  -1.013
  443   3HG1  VAL  57          3HG1      VAL  57 -10.539  -8.277   0.242
  444   1HG2  VAL  57          1HG2      VAL  57  -7.226  -6.977   1.131
  445   2HG2  VAL  57          2HG2      VAL  57  -7.505  -5.321   0.594
  446   3HG2  VAL  57          3HG2      VAL  57  -7.299  -6.609  -0.593
  447    H    ASP  58           H        ASP  58 -11.828  -4.188   0.245
  448    HA   ASP  58           HA       ASP  58 -13.869  -6.208   0.185
  449   1HB   ASP  58          1HB       ASP  58 -13.853  -4.454   1.915
  450   2HB   ASP  58          2HB       ASP  58 -14.077  -3.227   0.673
  451    H    GLU  59           H        GLU  59 -13.572  -3.033  -1.434
  452    HA   GLU  59           HA       GLU  59 -15.600  -3.726  -3.349
  453   1HB   GLU  59          1HB       GLU  59 -15.068  -1.385  -2.435
  454   2HB   GLU  59          2HB       GLU  59 -13.711  -1.386  -3.550
  455   1HG   GLU  59          1HG       GLU  59 -16.619  -1.641  -4.282
  456   2HG   GLU  59          2HG       GLU  59 -15.603  -0.218  -4.500
  457    H    LEU  60           H        LEU  60 -12.072  -3.462  -3.340
  458    HA   LEU  60           HA       LEU  60 -11.988  -4.366  -6.125
  459   1HB   LEU  60          1HB       LEU  60  -9.780  -3.389  -4.312
  460   2HB   LEU  60          2HB       LEU  60  -9.561  -3.888  -5.976
  461    HG   LEU  60           HG       LEU  60 -11.117  -2.046  -6.659
  462   1HD1  LEU  60          1HD1      LEU  60 -11.078  -0.218  -4.721
  463   2HD1  LEU  60          2HD1      LEU  60 -11.149  -1.673  -3.728
  464   3HD1  LEU  60          3HD1      LEU  60 -12.399  -1.364  -4.930
  465   1HD2  LEU  60          1HD2      LEU  60  -9.303  -0.813  -7.020
  466   2HD2  LEU  60          2HD2      LEU  60  -8.416  -1.975  -6.035
  467   3HD2  LEU  60          3HD2      LEU  60  -9.073  -0.514  -5.298
  468    H    GLY  61           H        GLY  61 -12.928  -6.288  -4.414
  469   1HA   GLY  61          1HA       GLY  61 -11.039  -7.980  -3.242
  470   2HA   GLY  61          2HA       GLY  61 -12.607  -8.488  -3.849
  471    H    ASP  62           H        ASP  62 -11.688  -7.401  -6.571
  472    HA   ASP  62           HA       ASP  62 -10.673  -9.902  -7.525
  473   1HB   ASP  62          1HB       ASP  62 -11.199  -7.339  -8.966
  474   2HB   ASP  62          2HB       ASP  62 -10.815  -8.862  -9.746
  475    H    VAL  63           H        VAL  63  -9.358  -6.760  -6.817
  476    HA   VAL  63           HA       VAL  63  -6.926  -7.111  -8.276
  477    HB   VAL  63           HB       VAL  63  -7.405  -5.234  -5.959
  478   1HG1  VAL  63          1HG1      VAL  63  -5.697  -4.454  -8.216
  479   2HG1  VAL  63          2HG1      VAL  63  -5.075  -5.775  -7.227
  480   3HG1  VAL  63          3HG1      VAL  63  -5.467  -4.223  -6.484
  481   1HG2  VAL  63          1HG2      VAL  63  -7.948  -4.800  -8.894
  482   2HG2  VAL  63          2HG2      VAL  63  -8.059  -3.571  -7.633
  483   3HG2  VAL  63          3HG2      VAL  63  -9.163  -4.947  -7.622
  484    H    ALA  64           H        ALA  64  -7.662  -7.199  -4.768
  485    HA   ALA  64           HA       ALA  64  -5.154  -7.998  -3.847
  486   1HB   ALA  64          1HB       ALA  64  -7.890  -8.034  -2.829
  487   2HB   ALA  64          2HB       ALA  64  -6.378  -7.653  -2.006
  488   3HB   ALA  64          3HB       ALA  64  -6.886  -9.332  -2.182
  489    H    GLN  65           H        GLN  65  -7.574  -9.767  -5.583
  490    HA   GLN  65           HA       GLN  65  -6.367 -12.344  -5.002
  491   1HB   GLN  65          1HB       GLN  65  -8.805 -12.190  -5.114
  492   2HB   GLN  65          2HB       GLN  65  -8.705 -11.601  -6.767
  493   1HG   GLN  65          1HG       GLN  65  -9.317 -13.942  -6.722
  494   2HG   GLN  65          2HG       GLN  65  -7.738 -13.723  -7.475
  495   1HE2  GLN  65          1HE2      GLN  65  -9.418 -15.630  -5.447
  496   2HE2  GLN  65          2HE2      GLN  65  -8.131 -16.272  -4.492
  497    H    LYS  66           H        LYS  66  -6.680 -10.072  -7.704
  498    HA   LYS  66           HA       LYS  66  -5.595 -11.726  -9.694
  499   1HB   LYS  66          1HB       LYS  66  -5.473  -9.841 -11.055
  500   2HB   LYS  66          2HB       LYS  66  -6.743  -9.408  -9.921
  501   1HG   LYS  66          1HG       LYS  66  -5.210  -8.030  -8.669
  502   2HG   LYS  66          2HG       LYS  66  -3.871  -8.530  -9.701
  503   1HD   LYS  66          1HD       LYS  66  -5.056  -7.537 -11.637
  504   2HD   LYS  66          2HD       LYS  66  -6.305  -6.955 -10.535
  505   1HE   LYS  66          1HE       LYS  66  -4.612  -5.651  -9.328
  506   2HE   LYS  66          2HE       LYS  66  -3.382  -6.217 -10.456
  507   1HZ   LYS  66          1HZ       LYS  66  -4.499  -5.101 -12.243
  508   2HZ   LYS  66          2HZ       LYS  66  -4.236  -3.992 -10.994
  509   3HZ   LYS  66          3HZ       LYS  66  -5.778  -4.645 -11.232
  510    H    ASN  67           H        ASN  67  -4.034  -9.401  -7.513
  511    HA   ASN  67           HA       ASN  67  -1.402 -10.024  -8.449
  512   1HB   ASN  67          1HB       ASN  67  -2.422  -8.428  -6.091
  513   2HB   ASN  67          2HB       ASN  67  -0.725  -8.553  -6.556
  514   1HD2  ASN  67          1HD2      ASN  67  -3.339  -6.642  -6.729
  515   2HD2  ASN  67          2HD2      ASN  67  -2.978  -5.760  -8.188
  516    H    GLU  68           H        GLU  68  -3.537 -11.710  -6.593
  517    HA   GLU  68           HA       GLU  68  -3.375 -13.508  -5.233
  518   1HB   GLU  68          1HB       GLU  68  -0.439 -13.389  -5.939
  519   2HB   GLU  68          2HB       GLU  68  -1.254 -14.748  -5.176
  520   1HG   GLU  68          1HG       GLU  68  -1.903 -13.661  -7.905
  521   2HG   GLU  68          2HG       GLU  68  -0.886 -15.068  -7.587
  522    H    VAL  69           H        VAL  69  -3.290 -10.918  -4.057
  523    HA   VAL  69           HA       VAL  69  -1.512 -11.397  -1.753
  524    HB   VAL  69           HB       VAL  69  -2.769  -8.774  -2.575
  525   1HG1  VAL  69          1HG1      VAL  69  -2.390  -8.642  -0.280
  526   2HG1  VAL  69          2HG1      VAL  69  -0.934  -7.935  -0.977
  527   3HG1  VAL  69          3HG1      VAL  69  -0.905  -9.591  -0.370
  528   1HG2  VAL  69          1HG2      VAL  69  -0.624  -8.110  -3.409
  529   2HG2  VAL  69          2HG2      VAL  69  -1.060  -9.633  -4.183
  530   3HG2  VAL  69          3HG2      VAL  69   0.111  -9.617  -2.865
  531    H    SER  70           H        SER  70  -3.331 -12.957  -1.224
  532    HA   SER  70           HA       SER  70  -5.752 -11.752  -0.224
  533   1HB   SER  70          1HB       SER  70  -5.957 -13.884  -1.304
  534   2HB   SER  70          2HB       SER  70  -4.785 -14.581  -0.183
  535    HG   SER  70           HG       SER  70  -7.344 -13.556   0.477
  536    H    ALA  71           H        ALA  71  -2.809 -11.621   0.991
  537    HA   ALA  71           HA       ALA  71  -2.958 -12.680   3.581
  538   1HB   ALA  71          1HB       ALA  71  -0.886 -11.883   3.691
  539   2HB   ALA  71          2HB       ALA  71  -1.469 -10.223   3.565
  540   3HB   ALA  71          3HB       ALA  71  -1.127 -11.151   2.104
  541    H    MET  72           H        MET  72  -2.473 -10.428   5.275
  542    HA   MET  72           HA       MET  72  -4.532  -8.520   5.080
  543   1HB   MET  72          1HB       MET  72  -6.052  -9.310   6.802
  544   2HB   MET  72          2HB       MET  72  -6.002 -10.402   5.431
  545   1HG   MET  72          1HG       MET  72  -4.473 -10.841   7.973
  546   2HG   MET  72          2HG       MET  72  -6.069 -11.503   7.660
  547   1HE   MET  72          1HE       MET  72  -3.324 -13.449   8.319
  548   2HE   MET  72          2HE       MET  72  -4.062 -14.731   7.361
  549   3HE   MET  72          3HE       MET  72  -5.071 -13.693   8.369
  550    HA   PRO  73           HA       PRO  73  -3.629  -7.005   4.795
  551   1HB   PRO  73          1HB       PRO  73  -2.251  -4.758   5.047
  552   2HB   PRO  73          2HB       PRO  73  -3.749  -5.006   5.968
  553   1HG   PRO  73          1HG       PRO  73  -0.930  -5.095   6.877
  554   2HG   PRO  73          2HG       PRO  73  -2.387  -4.632   7.767
  555   1HD   PRO  73          1HD       PRO  73  -1.048  -7.157   7.800
  556   2HD   PRO  73          2HD       PRO  73  -2.566  -6.719   8.619
  557    H    THR  74           H        THR  74  -1.833  -5.624   3.339
  558    HA   THR  74           HA       THR  74   0.716  -7.029   3.331
  559    HB   THR  74           HB       THR  74  -1.054  -7.004   0.879
  560    HG1  THR  74           HG1      THR  74  -1.848  -8.522   2.307
  561   1HG2  THR  74          1HG2      THR  74   0.981  -7.183  -0.087
  562   2HG2  THR  74          2HG2      THR  74   0.760  -8.876   0.356
  563   3HG2  THR  74          3HG2      THR  74   1.739  -7.824   1.369
  564    H    LEU  75           H        LEU  75   2.235  -6.069   1.713
  565    HA   LEU  75           HA       LEU  75   1.579  -3.241   1.210
  566   1HB   LEU  75          1HB       LEU  75   4.276  -4.379   1.936
  567   2HB   LEU  75          2HB       LEU  75   3.916  -2.692   1.626
  568    HG   LEU  75           HG       LEU  75   2.850  -4.322   3.932
  569   1HD1  LEU  75          1HD1      LEU  75   5.232  -2.678   3.543
  570   2HD1  LEU  75          2HD1      LEU  75   4.875  -3.895   4.767
  571   3HD1  LEU  75          3HD1      LEU  75   4.279  -2.247   4.963
  572   1HD2  LEU  75          1HD2      LEU  75   1.819  -1.983   2.727
  573   2HD2  LEU  75          2HD2      LEU  75   2.566  -1.501   4.250
  574   3HD2  LEU  75          3HD2      LEU  75   1.319  -2.747   4.234
  575    H    LEU  76           H        LEU  76   1.759  -2.586  -0.826
  576    HA   LEU  76           HA       LEU  76   3.403  -4.184  -2.670
  577   1HB   LEU  76          1HB       LEU  76   0.694  -2.946  -3.169
  578   2HB   LEU  76          2HB       LEU  76   1.728  -3.573  -4.450
  579    HG   LEU  76           HG       LEU  76   0.366  -5.113  -2.247
  580   1HD1  LEU  76          1HD1      LEU  76  -1.099  -5.705  -3.805
  581   2HD1  LEU  76          2HD1      LEU  76   0.178  -6.137  -4.941
  582   3HD1  LEU  76          3HD1      LEU  76  -0.388  -4.470  -4.841
  583   1HD2  LEU  76          1HD2      LEU  76   2.782  -5.786  -3.814
  584   2HD2  LEU  76          2HD2      LEU  76   1.557  -7.046  -3.657
  585   3HD2  LEU  76          3HD2      LEU  76   2.275  -6.330  -2.214
  586    H    LEU  77           H        LEU  77   4.891  -3.092  -3.767
  587    HA   LEU  77           HA       LEU  77   4.780  -0.153  -3.683
  588   1HB   LEU  77          1HB       LEU  77   7.140  -2.019  -3.905
  589   2HB   LEU  77          2HB       LEU  77   7.253  -0.274  -4.028
  590    HG   LEU  77           HG       LEU  77   6.389  -0.083  -1.711
  591   1HD1  LEU  77          1HD1      LEU  77   6.162  -3.011  -2.044
  592   2HD1  LEU  77          2HD1      LEU  77   5.180  -1.893  -1.098
  593   3HD1  LEU  77          3HD1      LEU  77   6.743  -2.431  -0.483
  594   1HD2  LEU  77          1HD2      LEU  77   8.923  -1.417  -2.446
  595   2HD2  LEU  77          2HD2      LEU  77   8.489  -1.422  -0.737
  596   3HD2  LEU  77          3HD2      LEU  77   8.643   0.107  -1.603
  597    H    PHE  78           H        PHE  78   4.905   1.026  -5.511
  598    HA   PHE  78           HA       PHE  78   5.435  -0.336  -8.062
  599   1HB   PHE  78          1HB       PHE  78   3.087   1.520  -7.595
  600   2HB   PHE  78          2HB       PHE  78   3.466   0.647  -9.075
  601    HD1  PHE  78           HD1      PHE  78   3.513  -1.945  -8.895
  602    HD2  PHE  78           HD2      PHE  78   1.623   0.612  -6.068
  603    HE1  PHE  78           HE1      PHE  78   2.128  -3.828  -8.123
  604    HE2  PHE  78           HE2      PHE  78   0.236  -1.266  -5.293
  605    HZ   PHE  78           HZ       PHE  78   0.482  -3.483  -6.318
  606    H    LYS  79           H        LYS  79   6.848   0.834  -9.293
  607    HA   LYS  79           HA       LYS  79   7.148   3.697  -8.626
  608   1HB   LYS  79          1HB       LYS  79   9.124   1.675  -9.653
  609   2HB   LYS  79          2HB       LYS  79   9.414   3.401  -9.802
  610   1HG   LYS  79          1HG       LYS  79   9.390   3.678  -7.424
  611   2HG   LYS  79          2HG       LYS  79   8.889   2.008  -7.187
  612   1HD   LYS  79          1HD       LYS  79  11.246   2.204  -6.728
  613   2HD   LYS  79          2HD       LYS  79  11.020   1.263  -8.203
  614   1HE   LYS  79          1HE       LYS  79  11.609   4.216  -8.195
  615   2HE   LYS  79          2HE       LYS  79  12.863   2.981  -8.264
  616   1HZ   LYS  79          1HZ       LYS  79  11.112   2.273 -10.236
  617   2HZ   LYS  79          2HZ       LYS  79  12.594   3.060 -10.454
  618   3HZ   LYS  79          3HZ       LYS  79  11.167   3.962 -10.344
  619    H    ASN  80           H        ASN  80   6.720   5.211 -10.119
  620    HA   ASN  80           HA       ASN  80   5.846   6.100 -12.032
  621   1HB   ASN  80          1HB       ASN  80   8.083   4.403 -13.147
  622   2HB   ASN  80          2HB       ASN  80   7.230   5.641 -14.067
  623   1HD2  ASN  80          1HD2      ASN  80   8.218   7.505 -14.156
  624   2HD2  ASN  80          2HD2      ASN  80   9.285   8.159 -12.963
  625    H    GLY  81           H        GLY  81   4.040   4.364 -11.369
  626   1HA   GLY  81          1HA       GLY  81   2.316   3.082 -12.146
  627   2HA   GLY  81          2HA       GLY  81   2.800   3.599 -13.755
  628    H    LYS  82           H        LYS  82   5.245   1.983 -12.017
  629    HA   LYS  82           HA       LYS  82   4.722  -0.471 -13.558
  630   1HB   LYS  82          1HB       LYS  82   7.370   0.575 -12.537
  631   2HB   LYS  82          2HB       LYS  82   7.133  -0.863 -13.515
  632   1HG   LYS  82          1HG       LYS  82   6.311   0.519 -15.355
  633   2HG   LYS  82          2HG       LYS  82   6.573   1.962 -14.375
  634   1HD   LYS  82          1HD       LYS  82   8.704   0.001 -15.226
  635   2HD   LYS  82          2HD       LYS  82   8.417   1.587 -15.949
  636   1HE   LYS  82          1HE       LYS  82   8.910   2.648 -13.794
  637   2HE   LYS  82          2HE       LYS  82   9.206   1.062 -13.083
  638   1HZ   LYS  82          1HZ       LYS  82  11.124   2.584 -14.097
  639   2HZ   LYS  82          2HZ       LYS  82  10.723   1.697 -15.480
  640   3HZ   LYS  82          3HZ       LYS  82  11.207   0.893 -14.072
  641    H    GLU  83           H        GLU  83   6.751  -1.933 -12.121
  642    HA   GLU  83           HA       GLU  83   5.283  -2.400  -9.620
  643   1HB   GLU  83          1HB       GLU  83   5.250  -4.265 -11.226
  644   2HB   GLU  83          2HB       GLU  83   7.005  -4.279 -11.256
  645   1HG   GLU  83          1HG       GLU  83   7.099  -5.006  -8.977
  646   2HG   GLU  83          2HG       GLU  83   5.352  -4.825  -8.801
  647    H    VAL  84           H        VAL  84   6.786  -3.469  -7.904
  648    HA   VAL  84           HA       VAL  84   9.479  -2.395  -7.949
  649    HB   VAL  84           HB       VAL  84   7.571  -1.747  -5.789
  650   1HG1  VAL  84          1HG1      VAL  84   9.289  -1.323  -4.448
  651   2HG1  VAL  84          2HG1      VAL  84  10.009  -0.270  -5.666
  652   3HG1  VAL  84          3HG1      VAL  84  10.356  -2.000  -5.677
  653   1HG2  VAL  84          1HG2      VAL  84   8.927   0.108  -7.710
  654   2HG2  VAL  84          2HG2      VAL  84   7.736   0.540  -6.485
  655   3HG2  VAL  84          3HG2      VAL  84   7.263  -0.447  -7.864
  656    H    ALA  85           H        ALA  85   7.291  -3.737  -5.491
  657    HA   ALA  85           HA       ALA  85   8.567  -6.273  -5.436
  658   1HB   ALA  85          1HB       ALA  85   9.223  -4.572  -3.046
  659   2HB   ALA  85          2HB       ALA  85  10.321  -4.758  -4.414
  660   3HB   ALA  85          3HB       ALA  85   9.851  -6.167  -3.463
  661    H    LYS  86           H        LYS  86   8.150  -7.087  -2.874
  662    HA   LYS  86           HA       LYS  86   5.414  -6.360  -2.153
  663   1HB   LYS  86          1HB       LYS  86   6.325  -9.133  -2.903
  664   2HB   LYS  86          2HB       LYS  86   4.888  -8.835  -1.934
  665   1HG   LYS  86          1HG       LYS  86   3.876  -7.605  -3.708
  666   2HG   LYS  86          2HG       LYS  86   5.347  -7.701  -4.672
  667   1HD   LYS  86          1HD       LYS  86   3.764  -9.320  -5.497
  668   2HD   LYS  86          2HD       LYS  86   5.100 -10.168  -4.720
  669   1HE   LYS  86          1HE       LYS  86   2.501  -9.543  -3.333
  670   2HE   LYS  86          2HE       LYS  86   2.793 -11.045  -4.206
  671   1HZ   LYS  86          1HZ       LYS  86   3.607 -11.805  -2.301
  672   2HZ   LYS  86          2HZ       LYS  86   3.648 -10.272  -1.593
  673   3HZ   LYS  86          3HZ       LYS  86   4.946 -10.799  -2.541
  674    H    VAL  87           H        VAL  87   4.969  -6.542  -0.003
  675    HA   VAL  87           HA       VAL  87   6.719  -8.058   1.706
  676    HB   VAL  87           HB       VAL  87   6.544  -5.064   2.067
  677   1HG1  VAL  87          1HG1      VAL  87   7.466  -7.271   3.796
  678   2HG1  VAL  87          2HG1      VAL  87   6.822  -5.687   4.223
  679   3HG1  VAL  87          3HG1      VAL  87   8.505  -5.848   3.726
  680   1HG2  VAL  87          1HG2      VAL  87   8.025  -5.522   0.254
  681   2HG2  VAL  87          2HG2      VAL  87   8.801  -6.831   1.145
  682   3HG2  VAL  87          3HG2      VAL  87   9.015  -5.161   1.668
  683    H    VAL  88           H        VAL  88   4.711  -9.141   2.096
  684    HA   VAL  88           HA       VAL  88   2.519  -7.720   3.303
  685    HB   VAL  88           HB       VAL  88   2.000  -9.668   1.962
  686   1HG1  VAL  88          1HG1      VAL  88   2.934 -11.769   3.694
  687   2HG1  VAL  88          2HG1      VAL  88   4.284 -10.765   3.167
  688   3HG1  VAL  88          3HG1      VAL  88   3.227 -11.521   1.973
  689   1HG2  VAL  88          1HG2      VAL  88   0.341  -9.453   3.548
  690   2HG2  VAL  88          2HG2      VAL  88   1.417  -9.820   4.893
  691   3HG2  VAL  88          3HG2      VAL  88   0.873 -11.110   3.823
  692    H    GLY  89           H        GLY  89   2.735  -6.936   5.315
  693   1HA   GLY  89          1HA       GLY  89   2.724  -8.286   7.622
  694   2HA   GLY  89          2HA       GLY  89   4.438  -8.297   7.243
  695    H    ALA  90           H        ALA  90   4.159  -5.585   5.964
  696    HA   ALA  90           HA       ALA  90   4.746  -3.467   6.643
  697   1HB   ALA  90          1HB       ALA  90   2.909  -2.305   7.264
  698   2HB   ALA  90          2HB       ALA  90   2.533  -3.397   8.598
  699   3HB   ALA  90          3HB       ALA  90   2.103  -3.842   6.946
  700    H    ASN  91           H        ASN  91   6.191  -5.418   8.047
  701    HA   ASN  91           HA       ASN  91   6.165  -5.085  10.836
  702   1HB   ASN  91          1HB       ASN  91   7.320  -6.949   9.717
  703   2HB   ASN  91          2HB       ASN  91   8.488  -5.820   9.038
  704   1HD2  ASN  91          1HD2      ASN  91   8.040  -8.015  11.395
  705   2HD2  ASN  91          2HD2      ASN  91   9.172  -7.437  12.567
  706    HA   PRO  92           HA       PRO  92   7.597  -0.948  11.505
  707   1HB   PRO  92          1HB       PRO  92   9.156  -2.307  13.671
  708   2HB   PRO  92          2HB       PRO  92   8.182  -0.832  13.744
  709   1HG   PRO  92          1HG       PRO  92   7.191  -3.088  14.691
  710   2HG   PRO  92          2HG       PRO  92   6.170  -2.007  13.720
  711   1HD   PRO  92          1HD       PRO  92   7.468  -4.585  12.949
  712   2HD   PRO  92          2HD       PRO  92   5.887  -3.929  12.473
  713    H    ALA  93           H        ALA  93   9.792  -3.659  11.190
  714    HA   ALA  93           HA       ALA  93  11.950  -1.804  10.436
  715   1HB   ALA  93          1HB       ALA  93  12.626  -3.125  12.300
  716   2HB   ALA  93          2HB       ALA  93  13.477  -3.735  10.879
  717   3HB   ALA  93          3HB       ALA  93  12.084  -4.611  11.517
  718    H    ALA  94           H        ALA  94   9.767  -2.701   8.680
  719    HA   ALA  94           HA       ALA  94  11.455  -3.799   6.567
  720   1HB   ALA  94          1HB       ALA  94  10.292  -5.736   7.428
  721   2HB   ALA  94          2HB       ALA  94   9.659  -5.327   5.833
  722   3HB   ALA  94          3HB       ALA  94   8.745  -4.904   7.280
  723    H    ILE  95           H        ILE  95   8.100  -2.726   7.126
  724    HA   ILE  95           HA       ILE  95   7.668  -1.729   4.564
  725    HB   ILE  95           HB       ILE  95   5.839  -2.059   6.089
  726   1HG1  ILE  95          1HG1      ILE  95   4.587  -0.021   5.783
  727   2HG1  ILE  95          2HG1      ILE  95   6.065   0.915   5.593
  728   1HG2  ILE  95          1HG2      ILE  95   7.428  -0.279   7.822
  729   2HG2  ILE  95          2HG2      ILE  95   6.426  -1.671   8.232
  730   3HG2  ILE  95          3HG2      ILE  95   5.676  -0.109   7.910
  731   1HD1  ILE  95          1HD1      ILE  95   5.756   0.676   3.409
  732   2HD1  ILE  95          2HD1      ILE  95   4.543  -0.582   3.641
  733   3HD1  ILE  95          3HD1      ILE  95   6.254  -1.000   3.620
  734    H    LYS  96           H        LYS  96   9.908  -0.633   6.810
  735    HA   LYS  96           HA       LYS  96   9.745   2.168   6.008
  736   1HB   LYS  96          1HB       LYS  96  11.566   2.522   7.624
  737   2HB   LYS  96          2HB       LYS  96  10.190   1.710   8.359
  738   1HG   LYS  96          1HG       LYS  96  11.367  -0.436   8.152
  739   2HG   LYS  96          2HG       LYS  96  12.755   0.409   7.464
  740   1HD   LYS  96          1HD       LYS  96  11.598   0.870  10.212
  741   2HD   LYS  96          2HD       LYS  96  13.064  -0.042   9.852
  742   1HE   LYS  96          1HE       LYS  96  12.609   2.885   9.286
  743   2HE   LYS  96          2HE       LYS  96  13.593   2.223  10.592
  744   1HZ   LYS  96          1HZ       LYS  96  15.284   2.290   9.179
  745   2HZ   LYS  96          2HZ       LYS  96  14.283   2.667   7.870
  746   3HZ   LYS  96          3HZ       LYS  96  14.545   1.051   8.294
  747    H    GLN  97           H        GLN  97  12.062  -0.520   5.882
  748    HA   GLN  97           HA       GLN  97  13.957   0.878   4.291
  749   1HB   GLN  97          1HB       GLN  97  13.568  -2.098   4.677
  750   2HB   GLN  97          2HB       GLN  97  14.985  -1.342   3.961
  751   1HG   GLN  97          1HG       GLN  97  15.447  -0.207   6.076
  752   2HG   GLN  97          2HG       GLN  97  14.029  -0.971   6.792
  753   1HE2  GLN  97          1HE2      GLN  97  14.502  -2.632   8.020
  754   2HE2  GLN  97          2HE2      GLN  97  15.811  -3.736   7.793
  755    H    ALA  98           H        ALA  98  11.160  -1.101   3.619
  756    HA   ALA  98           HA       ALA  98  11.649  -1.651   0.906
  757   1HB   ALA  98          1HB       ALA  98   9.754  -2.432   2.616
  758   2HB   ALA  98          2HB       ALA  98   9.560  -2.537   0.866
  759   3HB   ALA  98          3HB       ALA  98   8.851  -1.187   1.753
  760    H    ILE  99           H        ILE  99  10.526   1.195   2.542
  761    HA   ILE  99           HA       ILE  99   9.669   2.485   0.081
  762    HB   ILE  99           HB       ILE  99   9.794   3.575   2.898
  763   1HG1  ILE  99          1HG1      ILE  99   7.461   2.468   1.322
  764   2HG1  ILE  99          2HG1      ILE  99   8.254   1.670   2.676
  765   1HG2  ILE  99          1HG2      ILE  99   9.817   5.396   1.364
  766   2HG2  ILE  99          2HG2      ILE  99   8.168   5.255   1.970
  767   3HG2  ILE  99          3HG2      ILE  99   8.572   4.651   0.363
  768   1HD1  ILE  99          1HD1      ILE  99   6.048   3.317   2.798
  769   2HD1  ILE  99          2HD1      ILE  99   7.370   4.338   3.357
  770   3HD1  ILE  99          3HD1      ILE  99   7.048   2.799   4.154
  771    H    ALA 100           H        ALA 100  12.556   2.085   1.780
  772    HA   ALA 100           HA       ALA 100  13.673   4.663   1.033
  773   1HB   ALA 100          1HB       ALA 100  14.123   3.038   3.172
  774   2HB   ALA 100          2HB       ALA 100  15.204   4.324   2.632
  775   3HB   ALA 100          3HB       ALA 100  15.498   2.657   2.136
  776    H    ALA 101           H        ALA 101  14.961   1.363   0.735
  777    HA   ALA 101           HA       ALA 101  16.773   1.791  -1.263
  778   1HB   ALA 101          1HB       ALA 101  16.807  -0.534  -1.630
  779   2HB   ALA 101          2HB       ALA 101  15.122  -0.717  -1.144
  780   3HB   ALA 101          3HB       ALA 101  16.352  -0.330   0.061
  781    H    ASN 102           H        ASN 102  13.299   1.542  -1.572
  782    HA   ASN 102           HA       ASN 102  13.448   1.368  -4.462
  783   1HB   ASN 102          1HB       ASN 102  11.196   1.356  -2.465
  784   2HB   ASN 102          2HB       ASN 102  10.911   1.461  -4.204
  785   1HD2  ASN 102          1HD2      ASN 102  10.958  -0.611  -1.724
  786   2HD2  ASN 102          2HD2      ASN 102  11.374  -2.073  -2.542
  787    H    ALA 103           H        ALA 103  12.228   3.636  -2.005
  788    HA   ALA 103           HA       ALA 103  11.830   5.669  -4.057
  789   1HB   ALA 103          1HB       ALA 103  10.321   5.106  -1.944
  790   2HB   ALA 103          2HB       ALA 103  10.443   6.736  -2.604
  791   3HB   ALA 103          3HB       ALA 103  11.393   6.287  -1.189
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  -0.389  13.093   3.479
    2   2H    MET   1          2H        MET   1  -0.578  12.095   2.095
    3   3H    MET   1          3H        MET   1   0.372  11.559   3.419
    4    HA   MET   1           HA       MET   1  -1.526  11.469   4.810
    5   1HB   MET   1          1HB       MET   1  -3.749  11.927   3.869
    6   2HB   MET   1          2HB       MET   1  -2.721  13.351   3.798
    7   1HG   MET   1          1HG       MET   1  -2.279  12.916   1.437
    8   2HG   MET   1          2HG       MET   1  -3.309  11.486   1.509
    9   1HE   MET   1          1HE       MET   1  -5.463  13.960  -0.620
   10   2HE   MET   1          2HE       MET   1  -4.682  12.380  -0.556
   11   3HE   MET   1          3HE       MET   1  -3.704  13.846  -0.641
   12    H    VAL   2           H        VAL   2  -3.631   9.960   4.160
   13    HA   VAL   2           HA       VAL   2  -2.748   7.907   2.274
   14    HB   VAL   2           HB       VAL   2  -3.549   7.233   5.107
   15   1HG1  VAL   2          1HG1      VAL   2  -3.915   5.650   3.028
   16   2HG1  VAL   2          2HG1      VAL   2  -3.343   5.020   4.573
   17   3HG1  VAL   2          3HG1      VAL   2  -2.199   5.327   3.266
   18   1HG2  VAL   2          1HG2      VAL   2  -1.229   6.635   5.492
   19   2HG2  VAL   2          2HG2      VAL   2  -1.350   8.331   5.026
   20   3HG2  VAL   2          3HG2      VAL   2  -0.806   7.131   3.853
   21    H    THR   3           H        THR   3  -4.407   6.786   1.307
   22    HA   THR   3           HA       THR   3  -7.123   7.154   2.312
   23    HB   THR   3           HB       THR   3  -6.258   7.920  -0.481
   24    HG1  THR   3           HG1      THR   3  -5.888   9.480   1.195
   25   1HG2  THR   3          1HG2      THR   3  -8.389   7.020  -0.790
   26   2HG2  THR   3          2HG2      THR   3  -8.648   8.758  -0.631
   27   3HG2  THR   3          3HG2      THR   3  -8.988   7.688   0.729
   28    H    GLN   4           H        GLN   4  -8.701   5.779   1.217
   29    HA   GLN   4           HA       GLN   4  -7.553   3.163   0.595
   30   1HB   GLN   4          1HB       GLN   4 -10.459   3.959   0.863
   31   2HB   GLN   4          2HB       GLN   4  -9.806   2.328   0.880
   32   1HG   GLN   4          1HG       GLN   4  -8.756   2.706   2.991
   33   2HG   GLN   4          2HG       GLN   4  -9.202   4.410   2.965
   34   1HE2  GLN   4          1HE2      GLN   4 -10.834   4.864   4.241
   35   2HE2  GLN   4          2HE2      GLN   4 -12.160   3.825   4.621
   36    H    PHE   5           H        PHE   5  -8.849   1.902  -1.130
   37    HA   PHE   5           HA       PHE   5  -9.508   3.633  -3.410
   38   1HB   PHE   5          1HB       PHE   5  -7.835   1.118  -3.451
   39   2HB   PHE   5          2HB       PHE   5  -8.538   1.841  -4.904
   40    HD1  PHE   5           HD1      PHE   5  -8.142   4.740  -4.118
   41    HD2  PHE   5           HD2      PHE   5  -5.551   1.364  -3.964
   42    HE1  PHE   5           HE1      PHE   5  -6.196   6.228  -4.371
   43    HE2  PHE   5           HE2      PHE   5  -3.606   2.849  -4.212
   44    HZ   PHE   5           HZ       PHE   5  -3.927   5.278  -4.421
   45    H    LYS   6           H        LYS   6 -11.381   3.187  -4.406
   46    HA   LYS   6           HA       LYS   6 -12.747   0.689  -3.643
   47   1HB   LYS   6          1HB       LYS   6 -13.970   3.406  -4.142
   48   2HB   LYS   6          2HB       LYS   6 -14.870   1.938  -3.789
   49   1HG   LYS   6          1HG       LYS   6 -12.891   3.266  -1.950
   50   2HG   LYS   6          2HG       LYS   6 -14.648   3.360  -1.823
   51   1HD   LYS   6          1HD       LYS   6 -14.745   0.926  -1.513
   52   2HD   LYS   6          2HD       LYS   6 -12.984   0.852  -1.613
   53   1HE   LYS   6          1HE       LYS   6 -14.581   2.344   0.466
   54   2HE   LYS   6          2HE       LYS   6 -13.748   0.809   0.708
   55   1HZ   LYS   6          1HZ       LYS   6 -11.650   1.918   0.244
   56   2HZ   LYS   6          2HZ       LYS   6 -12.445   2.660   1.540
   57   3HZ   LYS   6          3HZ       LYS   6 -12.451   3.390   0.015
   58    H    THR   7           H        THR   7 -12.109   2.989  -6.250
   59    HA   THR   7           HA       THR   7 -13.275   1.017  -8.108
   60    HB   THR   7           HB       THR   7 -13.927   2.892  -9.578
   61    HG1  THR   7           HG1      THR   7 -12.915   4.681  -9.160
   62   1HG2  THR   7          1HG2      THR   7 -15.619   2.056  -8.063
   63   2HG2  THR   7          2HG2      THR   7 -15.766   3.803  -8.257
   64   3HG2  THR   7          3HG2      THR   7 -15.041   3.135  -6.794
   65    H    ALA   8           H        ALA   8 -12.251   0.718 -10.092
   66    HA   ALA   8           HA       ALA   8  -9.423   1.167 -10.047
   67   1HB   ALA   8          1HB       ALA   8 -10.696  -0.852 -11.036
   68   2HB   ALA   8          2HB       ALA   8  -9.296  -0.234 -11.911
   69   3HB   ALA   8          3HB       ALA   8 -10.923   0.176 -12.452
   70    H    SER   9           H        SER   9  -8.863   3.182 -10.213
   71    HA   SER   9           HA       SER   9  -8.408   4.547 -12.480
   72   1HB   SER   9          1HB       SER   9 -10.787   4.675 -13.007
   73   2HB   SER   9          2HB       SER   9 -11.137   5.341 -11.412
   74    HG   SER   9           HG       SER   9  -9.466   6.584 -13.340
   75    H    GLU  10           H        GLU  10  -9.328   4.565  -9.162
   76    HA   GLU  10           HA       GLU  10  -8.201   7.154  -8.603
   77   1HB   GLU  10          1HB       GLU  10  -9.291   5.006  -6.783
   78   2HB   GLU  10          2HB       GLU  10  -8.732   6.582  -6.234
   79   1HG   GLU  10          1HG       GLU  10 -10.462   7.662  -7.577
   80   2HG   GLU  10          2HG       GLU  10 -11.018   6.082  -8.129
   81    H    PHE  11           H        PHE  11  -7.333   3.811  -8.391
   82    HA   PHE  11           HA       PHE  11  -4.871   4.366  -6.981
   83   1HB   PHE  11          1HB       PHE  11  -6.264   2.341  -6.478
   84   2HB   PHE  11          2HB       PHE  11  -5.868   1.733  -8.079
   85    HD1  PHE  11           HD1      PHE  11  -5.218  -0.172  -6.325
   86    HD2  PHE  11           HD2      PHE  11  -3.043   3.434  -6.950
   87    HE1  PHE  11           HE1      PHE  11  -3.197  -1.229  -5.403
   88    HE2  PHE  11           HE2      PHE  11  -1.021   2.379  -6.041
   89    HZ   PHE  11           HZ       PHE  11  -1.098   0.047  -5.266
   90    H    ASP  12           H        ASP  12  -5.965   3.207 -10.137
   91    HA   ASP  12           HA       ASP  12  -3.606   2.579 -11.374
   92   1HB   ASP  12          1HB       ASP  12  -5.816   2.342 -12.432
   93   2HB   ASP  12          2HB       ASP  12  -5.924   4.091 -12.600
   94    H    SER  13           H        SER  13  -4.924   5.791 -10.769
   95    HA   SER  13           HA       SER  13  -2.914   7.165 -12.272
   96   1HB   SER  13          1HB       SER  13  -4.824   8.191 -10.156
   97   2HB   SER  13          2HB       SER  13  -3.840   9.200 -11.217
   98    HG   SER  13           HG       SER  13  -5.969   8.930 -12.014
   99    H    ALA  14           H        ALA  14  -3.276   6.095  -8.970
  100    HA   ALA  14           HA       ALA  14  -1.323   7.681  -7.741
  101   1HB   ALA  14          1HB       ALA  14  -1.275   5.159  -6.490
  102   2HB   ALA  14          2HB       ALA  14  -2.927   5.416  -7.049
  103   3HB   ALA  14          3HB       ALA  14  -2.161   6.601  -5.994
  104    H    ILE  15           H        ILE  15  -1.075   4.721  -9.611
  105    HA   ILE  15           HA       ILE  15   1.778   4.499  -9.082
  106    HB   ILE  15           HB       ILE  15   1.698   2.472 -10.461
  107   1HG1  ILE  15          1HG1      ILE  15  -1.245   3.135 -10.720
  108   2HG1  ILE  15          2HG1      ILE  15  -0.067   3.058 -12.026
  109   1HG2  ILE  15          1HG2      ILE  15   1.071   2.638  -7.959
  110   2HG2  ILE  15          2HG2      ILE  15   0.742   1.139  -8.829
  111   3HG2  ILE  15          3HG2      ILE  15  -0.565   2.281  -8.516
  112   1HD1  ILE  15          1HD1      ILE  15  -1.737   1.029 -11.180
  113   2HD1  ILE  15          2HD1      ILE  15  -0.156   0.587 -10.535
  114   3HD1  ILE  15          3HD1      ILE  15  -0.356   0.877 -12.264
  115    H    ALA  16           H        ALA  16  -0.336   4.959 -11.910
  116    HA   ALA  16           HA       ALA  16   1.470   5.111 -13.922
  117   1HB   ALA  16          1HB       ALA  16  -0.749   5.349 -14.555
  118   2HB   ALA  16          2HB       ALA  16  -0.070   6.943 -14.884
  119   3HB   ALA  16          3HB       ALA  16  -1.033   6.676 -13.430
  120    H    GLN  17           H        GLN  17   3.461   5.936 -13.497
  121    HA   GLN  17           HA       GLN  17   5.108   7.452 -13.055
  122   1HB   GLN  17          1HB       GLN  17   3.164   9.139 -14.632
  123   2HB   GLN  17          2HB       GLN  17   4.842   9.573 -14.325
  124   1HG   GLN  17          1HG       GLN  17   4.067   7.012 -15.670
  125   2HG   GLN  17          2HG       GLN  17   4.314   8.513 -16.567
  126   1HE2  GLN  17          1HE2      GLN  17   5.741   5.728 -15.782
  127   2HE2  GLN  17          2HE2      GLN  17   7.400   6.208 -15.784
  128    H    ASP  18           H        ASP  18   4.776   7.513 -10.753
  129    HA   ASP  18           HA       ASP  18   4.292  10.149  -9.795
  130   1HB   ASP  18          1HB       ASP  18   1.971   9.356  -9.995
  131   2HB   ASP  18          2HB       ASP  18   2.352   7.986  -8.958
  132    H    LYS  19           H        LYS  19   6.527   8.492  -9.674
  133    HA   LYS  19           HA       LYS  19   8.147   7.844  -8.212
  134   1HB   LYS  19          1HB       LYS  19   6.278   9.112  -6.224
  135   2HB   LYS  19          2HB       LYS  19   7.922   8.629  -5.860
  136   1HG   LYS  19          1HG       LYS  19   7.964  10.956  -6.226
  137   2HG   LYS  19          2HG       LYS  19   8.678  10.205  -7.654
  138   1HD   LYS  19          1HD       LYS  19   6.648  10.516  -8.903
  139   2HD   LYS  19          2HD       LYS  19   5.800  11.090  -7.466
  140   1HE   LYS  19          1HE       LYS  19   6.439  12.947  -8.908
  141   2HE   LYS  19          2HE       LYS  19   7.289  13.024  -7.365
  142   1HZ   LYS  19          1HZ       LYS  19   9.272  12.668  -8.340
  143   2HZ   LYS  19          2HZ       LYS  19   8.497  13.278  -9.713
  144   3HZ   LYS  19          3HZ       LYS  19   8.652  11.607  -9.503
  145    H    LEU  20           H        LEU  20   7.826   6.895  -5.533
  146    HA   LEU  20           HA       LEU  20   6.670   4.285  -6.142
  147   1HB   LEU  20          1HB       LEU  20   8.982   4.313  -5.367
  148   2HB   LEU  20          2HB       LEU  20   8.501   5.190  -3.915
  149    HG   LEU  20           HG       LEU  20   7.165   3.239  -3.201
  150   1HD1  LEU  20          1HD1      LEU  20   8.410   1.325  -4.978
  151   2HD1  LEU  20          2HD1      LEU  20   7.375   2.457  -5.848
  152   3HD1  LEU  20          3HD1      LEU  20   6.718   1.507  -4.517
  153   1HD2  LEU  20          1HD2      LEU  20   9.172   3.156  -2.132
  154   2HD2  LEU  20          2HD2      LEU  20  10.097   3.130  -3.633
  155   3HD2  LEU  20          3HD2      LEU  20   9.296   1.664  -3.064
  156    H    VAL  21           H        VAL  21   4.701   3.872  -5.471
  157    HA   VAL  21           HA       VAL  21   3.717   5.185  -3.028
  158    HB   VAL  21           HB       VAL  21   2.071   4.112  -5.325
  159   1HG1  VAL  21          1HG1      VAL  21   0.222   4.524  -4.130
  160   2HG1  VAL  21          2HG1      VAL  21   0.867   6.027  -3.469
  161   3HG1  VAL  21          3HG1      VAL  21   1.295   4.482  -2.732
  162   1HG2  VAL  21          1HG2      VAL  21   2.887   5.984  -6.317
  163   2HG2  VAL  21          2HG2      VAL  21   3.253   6.772  -4.782
  164   3HG2  VAL  21          3HG2      VAL  21   1.596   6.740  -5.383
  165    H    VAL  22           H        VAL  22   3.350   3.909  -1.340
  166    HA   VAL  22           HA       VAL  22   3.264   1.008  -1.761
  167    HB   VAL  22           HB       VAL  22   3.646   2.551   0.810
  168   1HG1  VAL  22          1HG1      VAL  22   2.931   0.551   1.617
  169   2HG1  VAL  22          2HG1      VAL  22   4.623   0.131   1.355
  170   3HG1  VAL  22          3HG1      VAL  22   3.405  -0.331   0.166
  171   1HG2  VAL  22          1HG2      VAL  22   5.992   1.297   0.388
  172   2HG2  VAL  22          2HG2      VAL  22   5.662   2.953  -0.118
  173   3HG2  VAL  22          3HG2      VAL  22   5.512   1.630  -1.276
  174    H    VAL  23           H        VAL  23   1.294   0.187  -1.955
  175    HA   VAL  23           HA       VAL  23  -0.888   1.357  -0.365
  176    HB   VAL  23           HB       VAL  23  -1.117  -0.365  -2.838
  177   1HG1  VAL  23          1HG1      VAL  23  -3.464   0.436  -2.829
  178   2HG1  VAL  23          2HG1      VAL  23  -3.166   1.189  -1.262
  179   3HG1  VAL  23          3HG1      VAL  23  -3.061  -0.564  -1.431
  180   1HG2  VAL  23          1HG2      VAL  23  -2.032   2.011  -3.634
  181   2HG2  VAL  23          2HG2      VAL  23  -0.344   1.536  -3.803
  182   3HG2  VAL  23          3HG2      VAL  23  -0.840   2.556  -2.453
  183    H    ASP  24           H        ASP  24  -2.057   0.125   1.005
  184    HA   ASP  24           HA       ASP  24  -1.081  -2.593   1.486
  185   1HB   ASP  24          1HB       ASP  24  -1.000  -1.092   3.403
  186   2HB   ASP  24          2HB       ASP  24  -2.722  -0.731   3.223
  187    H    PHE  25           H        PHE  25  -2.304  -4.330   1.061
  188    HA   PHE  25           HA       PHE  25  -5.041  -3.913   0.142
  189   1HB   PHE  25          1HB       PHE  25  -3.004  -6.104  -0.211
  190   2HB   PHE  25          2HB       PHE  25  -4.701  -6.358  -0.605
  191    HD1  PHE  25           HD1      PHE  25  -2.199  -3.641  -1.251
  192    HD2  PHE  25           HD2      PHE  25  -5.131  -6.295  -2.803
  193    HE1  PHE  25           HE1      PHE  25  -1.784  -2.759  -3.512
  194    HE2  PHE  25           HE2      PHE  25  -4.742  -5.415  -5.060
  195    HZ   PHE  25           HZ       PHE  25  -3.072  -3.639  -5.423
  196    H    TYR  26           H        TYR  26  -4.842  -3.630   2.819
  197    HA   TYR  26           HA       TYR  26  -4.946  -5.805   4.483
  198   1HB   TYR  26          1HB       TYR  26  -6.575  -4.384   5.861
  199   2HB   TYR  26          2HB       TYR  26  -5.001  -3.688   5.502
  200    HD1  TYR  26           HD1      TYR  26  -8.327  -3.834   3.767
  201    HD2  TYR  26           HD2      TYR  26  -5.073  -1.418   5.057
  202    HE1  TYR  26           HE1      TYR  26  -9.416  -1.858   2.803
  203    HE2  TYR  26           HE2      TYR  26  -6.162   0.557   4.140
  204    HH   TYR  26           HH       TYR  26  -7.936   0.924   2.161
  205    H    ALA  27           H        ALA  27  -6.316  -7.447   4.884
  206    HA   ALA  27           HA       ALA  27  -8.334  -8.104   3.049
  207   1HB   ALA  27          1HB       ALA  27  -7.706  -9.165   5.788
  208   2HB   ALA  27          2HB       ALA  27  -7.326  -9.882   4.223
  209   3HB   ALA  27          3HB       ALA  27  -8.996  -9.825   4.784
  210    H    THR  28           H        THR  28 -10.567  -8.047   3.163
  211    HA   THR  28           HA       THR  28 -11.658  -5.821   4.558
  212    HB   THR  28           HB       THR  28 -12.505  -6.418   2.367
  213    HG1  THR  28           HG1      THR  28 -13.949  -5.522   4.007
  214   1HG2  THR  28          1HG2      THR  28 -13.960  -8.793   3.386
  215   2HG2  THR  28          2HG2      THR  28 -12.267  -8.986   2.932
  216   3HG2  THR  28          3HG2      THR  28 -13.433  -8.396   1.749
  217    H    TRP  29           H        TRP  29 -11.324  -9.162   5.287
  218    HA   TRP  29           HA       TRP  29 -13.406  -9.090   7.332
  219   1HB   TRP  29          1HB       TRP  29 -12.757 -11.531   7.623
  220   2HB   TRP  29          2HB       TRP  29 -13.460 -11.090   6.059
  221    HD1  TRP  29           HD1      TRP  29 -11.778 -11.031   3.940
  222    HE1  TRP  29           HE1      TRP  29  -9.534 -12.222   3.526
  223    HE3  TRP  29           HE3      TRP  29 -10.655 -12.338   8.752
  224    HZ2  TRP  29           HZ2      TRP  29  -7.547 -13.531   5.039
  225    HZ3  TRP  29           HZ3      TRP  29  -8.560 -13.550   9.186
  226    HH2  TRP  29           HH2      TRP  29  -7.039 -14.136   7.367
  227    H    CYS  30           H        CYS  30  -9.900  -9.441   7.031
  228    HA   CYS  30           HA       CYS  30  -9.082 -10.188   9.493
  229   1HB   CYS  30          1HB       CYS  30  -7.549  -9.599   7.671
  230   2HB   CYS  30          2HB       CYS  30  -7.908  -7.890   7.913
  231    HG   CYS  30           HG       CYS  30  -5.726  -8.326   9.171
  232    H    GLY  31           H        GLY  31  -8.883  -9.374  11.523
  233   1HA   GLY  31          1HA       GLY  31 -10.530  -7.063  12.150
  234   2HA   GLY  31          2HA       GLY  31  -9.823  -8.183  13.302
  235    HA   PRO  32           HA       PRO  32  -6.465  -5.399  13.990
  236   1HB   PRO  32          1HB       PRO  32  -4.198  -6.830  13.890
  237   2HB   PRO  32          2HB       PRO  32  -5.425  -7.116  15.130
  238   1HG   PRO  32          1HG       PRO  32  -4.884  -8.636  12.610
  239   2HG   PRO  32          2HG       PRO  32  -5.270  -9.250  14.226
  240   1HD   PRO  32          1HD       PRO  32  -7.098  -9.015  12.191
  241   2HD   PRO  32          2HD       PRO  32  -7.522  -8.994  13.913
  242    H    CYS  33           H        CYS  33  -7.275  -4.974  11.413
  243    HA   CYS  33           HA       CYS  33  -4.726  -4.477  10.019
  244   1HB   CYS  33          1HB       CYS  33  -5.904  -4.783   7.873
  245   2HB   CYS  33          2HB       CYS  33  -5.927  -6.253   8.856
  246    HG   CYS  33           HG       CYS  33  -8.385  -4.507   8.179
  247    H    LYS  34           H        LYS  34  -7.586  -3.175  11.324
  248    HA   LYS  34           HA       LYS  34  -7.791  -0.898   9.586
  249   1HB   LYS  34          1HB       LYS  34  -9.762  -1.769  10.750
  250   2HB   LYS  34          2HB       LYS  34  -9.013  -1.418  12.302
  251   1HG   LYS  34          1HG       LYS  34  -9.044   0.968  11.784
  252   2HG   LYS  34          2HG       LYS  34  -9.786   0.618  10.222
  253   1HD   LYS  34          1HD       LYS  34 -11.464   1.324  11.844
  254   2HD   LYS  34          2HD       LYS  34 -11.724  -0.352  11.360
  255   1HE   LYS  34          1HE       LYS  34 -10.626  -1.116  13.405
  256   2HE   LYS  34          2HE       LYS  34 -10.345   0.557  13.884
  257   1HZ   LYS  34          1HZ       LYS  34 -12.428  -0.829  14.709
  258   2HZ   LYS  34          2HZ       LYS  34 -13.096  -0.200  13.288
  259   3HZ   LYS  34          3HZ       LYS  34 -12.494   0.846  14.473
  260    H    MET  35           H        MET  35  -6.027  -1.687  12.463
  261    HA   MET  35           HA       MET  35  -5.489   1.006  13.270
  262   1HB   MET  35          1HB       MET  35  -4.060  -1.573  13.928
  263   2HB   MET  35          2HB       MET  35  -3.767  -0.031  14.718
  264   1HG   MET  35          1HG       MET  35  -6.078  -0.010  15.524
  265   2HG   MET  35          2HG       MET  35  -6.356  -1.566  14.745
  266   1HE   MET  35          1HE       MET  35  -6.531  -1.262  18.455
  267   2HE   MET  35          2HE       MET  35  -6.600  -2.969  18.019
  268   3HE   MET  35          3HE       MET  35  -7.374  -1.765  16.990
  269    H    ILE  36           H        ILE  36  -4.660  -0.482  10.536
  270    HA   ILE  36           HA       ILE  36  -1.865   0.106  10.339
  271    HB   ILE  36           HB       ILE  36  -3.858  -0.522   8.166
  272   1HG1  ILE  36          1HG1      ILE  36  -1.997  -2.402   9.630
  273   2HG1  ILE  36          2HG1      ILE  36  -3.720  -2.255   9.960
  274   1HG2  ILE  36          1HG2      ILE  36  -2.188  -0.180   6.772
  275   2HG2  ILE  36          2HG2      ILE  36  -1.270  -1.457   7.567
  276   3HG2  ILE  36          3HG2      ILE  36  -1.111   0.215   8.110
  277   1HD1  ILE  36          1HD1      ILE  36  -2.386  -3.274   7.477
  278   2HD1  ILE  36          2HD1      ILE  36  -4.097  -2.845   7.537
  279   3HD1  ILE  36          3HD1      ILE  36  -3.473  -4.130   8.571
  280    H    ALA  37           H        ALA  37  -4.863   1.619   9.259
  281    HA   ALA  37           HA       ALA  37  -4.069   3.479   7.466
  282   1HB   ALA  37          1HB       ALA  37  -6.349   3.392   7.975
  283   2HB   ALA  37          2HB       ALA  37  -5.834   4.993   8.510
  284   3HB   ALA  37          3HB       ALA  37  -6.070   3.703   9.688
  285    HA   PRO  38           HA       PRO  38  -2.644   6.537  10.938
  286   1HB   PRO  38          1HB       PRO  38  -1.701   5.343  13.226
  287   2HB   PRO  38          2HB       PRO  38  -3.324   6.024  13.050
  288   1HG   PRO  38          1HG       PRO  38  -2.432   3.192  12.944
  289   2HG   PRO  38          2HG       PRO  38  -3.942   3.873  13.566
  290   1HD   PRO  38          1HD       PRO  38  -3.715   2.613  11.159
  291   2HD   PRO  38          2HD       PRO  38  -4.942   3.829  11.503
  292    H    MET  39           H        MET  39  -1.087   3.323  11.044
  293    HA   MET  39           HA       MET  39   1.547   4.267  11.173
  294   1HB   MET  39          1HB       MET  39   0.234   1.708  10.370
  295   2HB   MET  39          2HB       MET  39   1.933   1.939  10.022
  296   1HG   MET  39          1HG       MET  39   0.709   2.210  12.740
  297   2HG   MET  39          2HG       MET  39   1.499   0.753  12.146
  298   1HE   MET  39          1HE       MET  39   3.564   0.841  14.278
  299   2HE   MET  39          2HE       MET  39   2.150   1.799  14.717
  300   3HE   MET  39          3HE       MET  39   3.766   2.478  14.903
  301    H    ILE  40           H        ILE  40  -0.253   2.961   8.380
  302    HA   ILE  40           HA       ILE  40   1.491   3.462   6.354
  303    HB   ILE  40           HB       ILE  40  -1.506   3.883   6.311
  304   1HG1  ILE  40          1HG1      ILE  40   0.240   1.527   5.571
  305   2HG1  ILE  40          2HG1      ILE  40  -0.888   1.625   6.917
  306   1HG2  ILE  40          1HG2      ILE  40   0.411   3.591   3.996
  307   2HG2  ILE  40          2HG2      ILE  40  -0.474   5.051   4.436
  308   3HG2  ILE  40          3HG2      ILE  40  -1.348   3.628   3.875
  309   1HD1  ILE  40          1HD1      ILE  40  -1.592   0.344   4.811
  310   2HD1  ILE  40          2HD1      ILE  40  -1.830   1.936   4.096
  311   3HD1  ILE  40          3HD1      ILE  40  -2.749   1.467   5.526
  312    H    GLU  41           H        GLU  41  -0.332   5.791   8.183
  313    HA   GLU  41           HA       GLU  41   0.202   7.998   6.411
  314   1HB   GLU  41          1HB       GLU  41  -1.829   7.953   7.771
  315   2HB   GLU  41          2HB       GLU  41  -0.864   7.912   9.240
  316   1HG   GLU  41          1HG       GLU  41   0.020  10.128   8.725
  317   2HG   GLU  41          2HG       GLU  41  -0.941  10.170   7.248
  318    H    LYS  42           H        LYS  42   1.423   6.832   9.531
  319    HA   LYS  42           HA       LYS  42   3.169   8.949  10.077
  320   1HB   LYS  42          1HB       LYS  42   3.350   6.033  10.844
  321   2HB   LYS  42          2HB       LYS  42   4.388   7.288  11.502
  322   1HG   LYS  42          1HG       LYS  42   2.455   8.417  12.450
  323   2HG   LYS  42          2HG       LYS  42   1.391   7.191  11.761
  324   1HD   LYS  42          1HD       LYS  42   1.816   6.750  14.121
  325   2HD   LYS  42          2HD       LYS  42   2.498   5.475  13.110
  326   1HE   LYS  42          1HE       LYS  42   4.706   6.506  13.296
  327   2HE   LYS  42          2HE       LYS  42   4.026   7.788  14.297
  328   1HZ   LYS  42          1HZ       LYS  42   3.233   5.632  15.639
  329   2HZ   LYS  42          2HZ       LYS  42   4.688   6.438  15.949
  330   3HZ   LYS  42          3HZ       LYS  42   4.680   5.046  14.987
  331    H    PHE  43           H        PHE  43   3.494   6.202   7.943
  332    HA   PHE  43           HA       PHE  43   6.321   6.488   7.608
  333   1HB   PHE  43          1HB       PHE  43   4.243   4.924   6.088
  334   2HB   PHE  43          2HB       PHE  43   5.943   4.936   5.632
  335    HD1  PHE  43           HD1      PHE  43   3.833   4.376   8.668
  336    HD2  PHE  43           HD2      PHE  43   7.272   3.256   6.422
  337    HE1  PHE  43           HE1      PHE  43   4.286   2.566  10.269
  338    HE2  PHE  43           HE2      PHE  43   7.728   1.442   8.021
  339    HZ   PHE  43           HZ       PHE  43   6.234   1.096   9.947
  340    H    SER  44           H        SER  44   3.555   7.979   6.217
  341    HA   SER  44           HA       SER  44   4.864   8.816   3.800
  342   1HB   SER  44          1HB       SER  44   2.873  10.181   3.412
  343   2HB   SER  44          2HB       SER  44   2.405   8.550   3.915
  344    HG   SER  44           HG       SER  44   1.480  10.645   4.957
  345    H    GLU  45           H        GLU  45   5.267   9.695   6.964
  346    HA   GLU  45           HA       GLU  45   5.685  12.532   6.474
  347   1HB   GLU  45          1HB       GLU  45   6.087  10.881   8.976
  348   2HB   GLU  45          2HB       GLU  45   6.236  12.630   8.878
  349   1HG   GLU  45          1HG       GLU  45   3.877  12.799   8.273
  350   2HG   GLU  45          2HG       GLU  45   3.728  11.045   8.365
  351    H    GLN  46           H        GLN  46   7.486   9.577   6.779
  352    HA   GLN  46           HA       GLN  46  10.034  10.966   6.955
  353   1HB   GLN  46          1HB       GLN  46   9.342   8.028   6.873
  354   2HB   GLN  46          2HB       GLN  46  10.981   8.656   7.008
  355   1HG   GLN  46          1HG       GLN  46  10.387   9.752   9.104
  356   2HG   GLN  46          2HG       GLN  46   8.749   9.116   8.970
  357   1HE2  GLN  46          1HE2      GLN  46   8.394   7.425  10.195
  358   2HE2  GLN  46          2HE2      GLN  46   9.558   6.203  10.627
  359    H    TYR  47           H        TYR  47   8.041   9.365   4.598
  360    HA   TYR  47           HA       TYR  47  10.109   9.885   2.563
  361   1HB   TYR  47          1HB       TYR  47   8.091   7.634   2.579
  362   2HB   TYR  47          2HB       TYR  47   9.287   7.940   1.323
  363    HD1  TYR  47           HD1      TYR  47  11.781   7.955   2.116
  364    HD2  TYR  47           HD2      TYR  47   8.591   6.177   4.291
  365    HE1  TYR  47           HE1      TYR  47  13.399   6.549   3.321
  366    HE2  TYR  47           HE2      TYR  47  10.200   4.751   5.499
  367    HH   TYR  47           HH       TYR  47  12.479   3.871   5.184
  368    HA   PRO  48           HA       PRO  48   5.844  12.239   2.157
  369   1HB   PRO  48          1HB       PRO  48   8.028  14.164   1.471
  370   2HB   PRO  48          2HB       PRO  48   6.459  14.476   2.220
  371   1HG   PRO  48          1HG       PRO  48   8.714  14.317   3.674
  372   2HG   PRO  48          2HG       PRO  48   7.151  13.758   4.295
  373   1HD   PRO  48          1HD       PRO  48   9.512  12.192   3.505
  374   2HD   PRO  48          2HD       PRO  48   8.123  11.716   4.504
  375    H    GLN  49           H        GLN  49   8.755  11.894   0.235
  376    HA   GLN  49           HA       GLN  49   7.734  12.766  -2.228
  377   1HB   GLN  49          1HB       GLN  49   9.866  10.687  -1.701
  378   2HB   GLN  49          2HB       GLN  49   9.569  11.469  -3.249
  379   1HG   GLN  49          1HG       GLN  49  10.139  13.630  -2.269
  380   2HG   GLN  49          2HG       GLN  49  10.426  12.853  -0.716
  381   1HE2  GLN  49          1HE2      GLN  49  11.459  10.701  -2.985
  382   2HE2  GLN  49          2HE2      GLN  49  13.121  11.153  -3.071
  383    H    ALA  50           H        ALA  50   7.654   9.626  -0.644
  384    HA   ALA  50           HA       ALA  50   6.278   8.407  -2.901
  385   1HB   ALA  50          1HB       ALA  50   6.267   6.411  -1.243
  386   2HB   ALA  50          2HB       ALA  50   7.421   7.385  -0.332
  387   3HB   ALA  50          3HB       ALA  50   7.787   6.906  -1.989
  388    H    ASP  51           H        ASP  51   4.149   7.863  -2.950
  389    HA   ASP  51           HA       ASP  51   2.455   9.074  -0.913
  390   1HB   ASP  51          1HB       ASP  51   1.773   7.811  -3.576
  391   2HB   ASP  51          2HB       ASP  51   0.605   8.569  -2.497
  392    H    PHE  52           H        PHE  52   1.113   7.971   0.443
  393    HA   PHE  52           HA       PHE  52   1.357   5.037   0.389
  394   1HB   PHE  52          1HB       PHE  52   0.977   6.887   2.752
  395   2HB   PHE  52          2HB       PHE  52   0.961   5.121   2.842
  396    HD1  PHE  52           HD1      PHE  52   3.148   7.774   1.369
  397    HD2  PHE  52           HD2      PHE  52   2.886   4.172   3.619
  398    HE1  PHE  52           HE1      PHE  52   5.593   7.771   1.640
  399    HE2  PHE  52           HE2      PHE  52   5.331   4.163   3.896
  400    HZ   PHE  52           HZ       PHE  52   6.687   5.964   2.905
  401    H    TYR  53           H        TYR  53  -0.445   4.430  -0.702
  402    HA   TYR  53           HA       TYR  53  -3.039   5.462   0.207
  403   1HB   TYR  53          1HB       TYR  53  -2.137   4.122  -2.328
  404   2HB   TYR  53          2HB       TYR  53  -3.842   4.163  -1.890
  405    HD1  TYR  53           HD1      TYR  53  -4.841   6.501  -1.381
  406    HD2  TYR  53           HD2      TYR  53  -1.204   5.899  -3.503
  407    HE1  TYR  53           HE1      TYR  53  -5.050   8.743  -2.363
  408    HE2  TYR  53           HE2      TYR  53  -1.400   8.144  -4.488
  409    HH   TYR  53           HH       TYR  53  -4.198   9.918  -4.477
  410    H    LYS  54           H        LYS  54  -4.754   3.488  -0.380
  411    HA   LYS  54           HA       LYS  54  -3.795   1.017   0.807
  412   1HB   LYS  54          1HB       LYS  54  -6.004   2.659   2.050
  413   2HB   LYS  54          2HB       LYS  54  -5.562   1.026   2.532
  414   1HG   LYS  54          1HG       LYS  54  -3.312   1.820   3.103
  415   2HG   LYS  54          2HG       LYS  54  -3.791   3.458   2.677
  416   1HD   LYS  54          1HD       LYS  54  -5.082   1.808   4.849
  417   2HD   LYS  54          2HD       LYS  54  -3.814   2.999   5.118
  418   1HE   LYS  54          1HE       LYS  54  -5.876   4.061   5.606
  419   2HE   LYS  54          2HE       LYS  54  -5.318   4.704   4.065
  420   1HZ   LYS  54          1HZ       LYS  54  -7.774   3.668   4.561
  421   2HZ   LYS  54          2HZ       LYS  54  -6.989   2.400   3.765
  422   3HZ   LYS  54          3HZ       LYS  54  -7.100   3.920   3.030
  423    H    LEU  55           H        LEU  55  -4.822  -0.744   0.059
  424    HA   LEU  55           HA       LEU  55  -6.934  -0.299  -1.912
  425   1HB   LEU  55          1HB       LEU  55  -4.757  -1.568  -2.394
  426   2HB   LEU  55          2HB       LEU  55  -5.438  -2.858  -1.425
  427    HG   LEU  55           HG       LEU  55  -5.716  -3.167  -3.882
  428   1HD1  LEU  55          1HD1      LEU  55  -8.496  -2.972  -3.039
  429   2HD1  LEU  55          2HD1      LEU  55  -7.457  -3.750  -1.845
  430   3HD1  LEU  55          3HD1      LEU  55  -7.540  -4.384  -3.487
  431   1HD2  LEU  55          1HD2      LEU  55  -7.699  -0.912  -3.655
  432   2HD2  LEU  55          2HD2      LEU  55  -7.294  -1.840  -5.099
  433   3HD2  LEU  55          3HD2      LEU  55  -6.098  -0.762  -4.380
  434    H    ASP  56           H        ASP  56  -8.871  -1.393  -1.927
  435    HA   ASP  56           HA       ASP  56  -9.754  -2.375   0.676
  436   1HB   ASP  56          1HB       ASP  56 -11.052  -0.621  -0.613
  437   2HB   ASP  56          2HB       ASP  56 -11.432  -1.873  -1.793
  438    H    VAL  57           H        VAL  57 -10.022  -4.492   1.092
  439    HA   VAL  57           HA       VAL  57  -9.757  -6.392  -1.112
  440    HB   VAL  57           HB       VAL  57  -9.695  -6.832   1.886
  441   1HG1  VAL  57          1HG1      VAL  57 -10.328  -8.930   1.263
  442   2HG1  VAL  57          2HG1      VAL  57  -8.611  -9.076   0.889
  443   3HG1  VAL  57          3HG1      VAL  57  -9.767  -8.728  -0.396
  444   1HG2  VAL  57          1HG2      VAL  57  -7.771  -5.617   0.837
  445   2HG2  VAL  57          2HG2      VAL  57  -7.468  -7.055  -0.140
  446   3HG2  VAL  57          3HG2      VAL  57  -7.340  -7.138   1.617
  447    H    ASP  58           H        ASP  58 -12.189  -4.860  -0.747
  448    HA   ASP  58           HA       ASP  58 -14.076  -7.094  -0.604
  449   1HB   ASP  58          1HB       ASP  58 -14.235  -5.903   1.549
  450   2HB   ASP  58          2HB       ASP  58 -14.527  -4.395   0.695
  451    H    GLU  59           H        GLU  59 -13.554  -3.696  -1.434
  452    HA   GLU  59           HA       GLU  59 -15.647  -3.700  -3.416
  453   1HB   GLU  59          1HB       GLU  59 -15.122  -1.686  -2.081
  454   2HB   GLU  59          2HB       GLU  59 -13.523  -1.622  -2.816
  455   1HG   GLU  59          1HG       GLU  59 -14.925  -0.034  -3.911
  456   2HG   GLU  59          2HG       GLU  59 -14.627  -1.365  -5.027
  457    H    LEU  60           H        LEU  60 -12.170  -4.047  -3.299
  458    HA   LEU  60           HA       LEU  60 -12.143  -4.416  -6.224
  459   1HB   LEU  60          1HB       LEU  60  -9.917  -3.451  -4.426
  460   2HB   LEU  60          2HB       LEU  60  -9.731  -3.817  -6.130
  461    HG   LEU  60           HG       LEU  60 -11.371  -2.019  -6.652
  462   1HD1  LEU  60          1HD1      LEU  60 -12.696  -1.407  -4.963
  463   2HD1  LEU  60          2HD1      LEU  60 -11.346  -0.394  -4.457
  464   3HD1  LEU  60          3HD1      LEU  60 -11.569  -1.988  -3.740
  465   1HD2  LEU  60          1HD2      LEU  60  -9.181  -0.824  -5.008
  466   2HD2  LEU  60          2HD2      LEU  60  -9.789  -0.339  -6.592
  467   3HD2  LEU  60          3HD2      LEU  60  -8.791  -1.787  -6.434
  468    H    GLY  61           H        GLY  61 -12.830  -6.640  -5.584
  469   1HA   GLY  61          1HA       GLY  61 -10.923  -8.311  -4.227
  470   2HA   GLY  61          2HA       GLY  61 -12.392  -8.843  -5.030
  471    H    ASP  62           H        ASP  62 -10.854  -7.011  -7.268
  472    HA   ASP  62           HA       ASP  62  -9.815  -9.360  -8.608
  473   1HB   ASP  62          1HB       ASP  62 -10.155  -6.554  -9.573
  474   2HB   ASP  62          2HB       ASP  62  -9.636  -7.897 -10.572
  475    H    VAL  63           H        VAL  63  -8.660  -6.275  -7.363
  476    HA   VAL  63           HA       VAL  63  -6.009  -6.566  -8.375
  477    HB   VAL  63           HB       VAL  63  -6.779  -4.869  -6.004
  478   1HG1  VAL  63          1HG1      VAL  63  -4.892  -3.963  -8.089
  479   2HG1  VAL  63          2HG1      VAL  63  -4.352  -5.282  -7.050
  480   3HG1  VAL  63          3HG1      VAL  63  -4.843  -3.746  -6.340
  481   1HG2  VAL  63          1HG2      VAL  63  -7.253  -4.350  -8.929
  482   2HG2  VAL  63          2HG2      VAL  63  -7.177  -3.060  -7.729
  483   3HG2  VAL  63          3HG2      VAL  63  -8.421  -4.305  -7.609
  484    H    ALA  64           H        ALA  64  -7.358  -6.892  -5.070
  485    HA   ALA  64           HA       ALA  64  -5.057  -7.805  -3.781
  486   1HB   ALA  64          1HB       ALA  64  -7.588  -7.321  -2.990
  487   2HB   ALA  64          2HB       ALA  64  -6.408  -8.198  -2.014
  488   3HB   ALA  64          3HB       ALA  64  -7.591  -9.084  -2.974
  489    H    GLN  65           H        GLN  65  -7.167  -9.394  -6.023
  490    HA   GLN  65           HA       GLN  65  -6.109 -12.033  -5.431
  491   1HB   GLN  65          1HB       GLN  65  -8.492 -11.815  -5.939
  492   2HB   GLN  65          2HB       GLN  65  -8.108 -11.118  -7.507
  493   1HG   GLN  65          1HG       GLN  65  -7.049 -13.214  -8.180
  494   2HG   GLN  65          2HG       GLN  65  -7.441 -13.913  -6.610
  495   1HE2  GLN  65          1HE2      GLN  65  -8.362 -13.819  -9.726
  496   2HE2  GLN  65          2HE2      GLN  65 -10.043 -14.186  -9.560
  497    H    LYS  66           H        LYS  66  -5.935  -9.576  -7.982
  498    HA   LYS  66           HA       LYS  66  -4.549 -11.120  -9.872
  499   1HB   LYS  66          1HB       LYS  66  -4.190  -9.157 -11.063
  500   2HB   LYS  66          2HB       LYS  66  -5.615  -8.761 -10.119
  501   1HG   LYS  66          1HG       LYS  66  -4.265  -7.518  -8.543
  502   2HG   LYS  66          2HG       LYS  66  -2.798  -7.972  -9.409
  503   1HD   LYS  66          1HD       LYS  66  -3.707  -6.827 -11.422
  504   2HD   LYS  66          2HD       LYS  66  -5.068  -6.277 -10.442
  505   1HE   LYS  66          1HE       LYS  66  -3.418  -4.521 -10.594
  506   2HE   LYS  66          2HE       LYS  66  -3.486  -5.128  -8.942
  507   1HZ   LYS  66          1HZ       LYS  66  -1.290  -5.075 -10.745
  508   2HZ   LYS  66          2HZ       LYS  66  -1.571  -6.650 -10.199
  509   3HZ   LYS  66          3HZ       LYS  66  -1.303  -5.406  -9.086
  510    H    ASN  67           H        ASN  67  -3.336  -8.952  -7.330
  511    HA   ASN  67           HA       ASN  67  -0.598  -9.575  -7.844
  512   1HB   ASN  67          1HB       ASN  67  -1.958  -8.191  -5.521
  513   2HB   ASN  67          2HB       ASN  67  -0.216  -8.266  -5.782
  514   1HD2  ASN  67          1HD2      ASN  67  -2.790  -6.335  -6.068
  515   2HD2  ASN  67          2HD2      ASN  67  -2.273  -5.318  -7.384
  516    H    GLU  68           H        GLU  68  -3.077 -11.281  -6.415
  517    HA   GLU  68           HA       GLU  68  -3.166 -13.191  -5.199
  518   1HB   GLU  68          1HB       GLU  68  -0.155 -13.168  -5.466
  519   2HB   GLU  68          2HB       GLU  68  -1.126 -14.531  -4.926
  520   1HG   GLU  68          1HG       GLU  68  -2.212 -14.629  -7.105
  521   2HG   GLU  68          2HG       GLU  68  -1.256 -13.252  -7.647
  522    H    VAL  69           H        VAL  69  -3.266 -10.763  -3.832
  523    HA   VAL  69           HA       VAL  69  -1.682 -11.261  -1.404
  524    HB   VAL  69           HB       VAL  69  -3.223  -8.783  -2.188
  525   1HG1  VAL  69          1HG1      VAL  69  -1.812  -7.795  -0.311
  526   2HG1  VAL  69          2HG1      VAL  69  -1.513  -9.461   0.189
  527   3HG1  VAL  69          3HG1      VAL  69  -3.160  -8.829   0.159
  528   1HG2  VAL  69          1HG2      VAL  69  -1.358  -7.919  -3.113
  529   2HG2  VAL  69          2HG2      VAL  69  -0.920  -9.615  -3.324
  530   3HG2  VAL  69          3HG2      VAL  69  -0.289  -8.706  -1.950
  531    H    SER  70           H        SER  70  -3.024 -12.976  -0.652
  532    HA   SER  70           HA       SER  70  -5.771 -12.267   0.047
  533   1HB   SER  70          1HB       SER  70  -6.055 -14.634   0.608
  534   2HB   SER  70          2HB       SER  70  -5.396 -14.452  -1.026
  535    HG   SER  70           HG       SER  70  -3.332 -14.908  -0.157
  536    H    ALA  71           H        ALA  71  -2.659 -12.434   1.446
  537    HA   ALA  71           HA       ALA  71  -3.194 -13.128   4.089
  538   1HB   ALA  71          1HB       ALA  71  -1.093 -11.597   2.691
  539   2HB   ALA  71          2HB       ALA  71  -0.956 -12.933   3.834
  540   3HB   ALA  71          3HB       ALA  71  -1.249 -11.297   4.421
  541    H    MET  72           H        MET  72  -2.593 -11.065   5.786
  542    HA   MET  72           HA       MET  72  -4.119  -8.732   5.240
  543   1HB   MET  72          1HB       MET  72  -5.976  -9.078   6.725
  544   2HB   MET  72          2HB       MET  72  -5.944 -10.348   5.514
  545   1HG   MET  72          1HG       MET  72  -4.960 -10.609   8.339
  546   2HG   MET  72          2HG       MET  72  -6.506 -11.184   7.738
  547   1HE   MET  72          1HE       MET  72  -5.241 -14.509   8.260
  548   2HE   MET  72          2HE       MET  72  -5.652 -13.034   9.136
  549   3HE   MET  72          3HE       MET  72  -3.971 -13.559   9.032
  550    HA   PRO  73           HA       PRO  73  -3.625  -7.000   5.353
  551   1HB   PRO  73          1HB       PRO  73  -2.077  -4.892   5.706
  552   2HB   PRO  73          2HB       PRO  73  -3.462  -5.169   6.784
  553   1HG   PRO  73          1HG       PRO  73  -0.561  -5.753   7.239
  554   2HG   PRO  73          2HG       PRO  73  -1.729  -5.003   8.339
  555   1HD   PRO  73          1HD       PRO  73  -1.013  -7.674   8.389
  556   2HD   PRO  73          2HD       PRO  73  -2.527  -7.016   9.047
  557    H    THR  74           H        THR  74  -1.759  -5.533   3.964
  558    HA   THR  74           HA       THR  74   0.629  -7.110   3.537
  559    HB   THR  74           HB       THR  74  -1.445  -6.835   1.354
  560    HG1  THR  74           HG1      THR  74  -0.591  -9.342   1.905
  561   1HG2  THR  74          1HG2      THR  74   0.563  -6.731   0.193
  562   2HG2  THR  74          2HG2      THR  74   0.168  -8.449   0.171
  563   3HG2  THR  74          3HG2      THR  74   1.373  -7.840   1.299
  564    H    LEU  75           H        LEU  75   2.042  -6.116   1.849
  565    HA   LEU  75           HA       LEU  75   1.491  -3.249   1.500
  566   1HB   LEU  75          1HB       LEU  75   4.141  -4.484   2.249
  567   2HB   LEU  75          2HB       LEU  75   3.877  -2.790   1.882
  568    HG   LEU  75           HG       LEU  75   2.781  -4.311   4.247
  569   1HD1  LEU  75          1HD1      LEU  75   4.872  -3.812   4.935
  570   2HD1  LEU  75          2HD1      LEU  75   4.128  -2.249   5.269
  571   3HD1  LEU  75          3HD1      LEU  75   5.053  -2.487   3.788
  572   1HD2  LEU  75          1HD2      LEU  75   1.071  -2.842   3.985
  573   2HD2  LEU  75          2HD2      LEU  75   2.040  -1.707   3.046
  574   3HD2  LEU  75          3HD2      LEU  75   2.202  -1.763   4.801
  575    H    LEU  76           H        LEU  76   1.563  -2.642  -0.556
  576    HA   LEU  76           HA       LEU  76   3.208  -4.217  -2.424
  577   1HB   LEU  76          1HB       LEU  76   0.500  -2.958  -2.867
  578   2HB   LEU  76          2HB       LEU  76   1.509  -3.562  -4.179
  579    HG   LEU  76           HG       LEU  76   0.155  -5.130  -1.996
  580   1HD1  LEU  76          1HD1      LEU  76  -0.012  -6.133  -4.696
  581   2HD1  LEU  76          2HD1      LEU  76  -0.573  -4.465  -4.593
  582   3HD1  LEU  76          3HD1      LEU  76  -1.298  -5.704  -3.569
  583   1HD2  LEU  76          1HD2      LEU  76   2.031  -6.385  -1.954
  584   2HD2  LEU  76          2HD2      LEU  76   2.601  -5.776  -3.508
  585   3HD2  LEU  76          3HD2      LEU  76   1.371  -7.040  -3.453
  586    H    LEU  77           H        LEU  77   4.683  -3.136  -3.561
  587    HA   LEU  77           HA       LEU  77   4.601  -0.195  -3.466
  588   1HB   LEU  77          1HB       LEU  77   6.965  -2.044  -3.805
  589   2HB   LEU  77          2HB       LEU  77   7.045  -0.293  -3.821
  590    HG   LEU  77           HG       LEU  77   6.225  -0.269  -1.475
  591   1HD1  LEU  77          1HD1      LEU  77   5.092  -2.156  -0.950
  592   2HD1  LEU  77          2HD1      LEU  77   6.687  -2.668  -0.401
  593   3HD1  LEU  77          3HD1      LEU  77   6.093  -3.178  -1.982
  594   1HD2  LEU  77          1HD2      LEU  77   8.326  -0.433  -0.667
  595   2HD2  LEU  77          2HD2      LEU  77   8.732  -0.595  -2.376
  596   3HD2  LEU  77          3HD2      LEU  77   8.588  -2.032  -1.364
  597    H    PHE  78           H        PHE  78   4.924   1.002  -5.313
  598    HA   PHE  78           HA       PHE  78   5.268  -0.394  -7.871
  599   1HB   PHE  78          1HB       PHE  78   2.995   1.524  -7.295
  600   2HB   PHE  78          2HB       PHE  78   3.302   0.709  -8.820
  601    HD1  PHE  78           HD1      PHE  78   3.226  -1.874  -8.793
  602    HD2  PHE  78           HD2      PHE  78   1.600   0.578  -5.719
  603    HE1  PHE  78           HE1      PHE  78   1.809  -3.745  -8.054
  604    HE2  PHE  78           HE2      PHE  78   0.182  -1.289  -4.976
  605    HZ   PHE  78           HZ       PHE  78   0.280  -3.451  -6.143
  606    H    LYS  79           H        LYS  79   6.691   0.742  -9.166
  607    HA   LYS  79           HA       LYS  79   6.958   3.629  -8.569
  608   1HB   LYS  79          1HB       LYS  79   9.091   1.670  -9.395
  609   2HB   LYS  79          2HB       LYS  79   9.310   3.409  -9.476
  610   1HG   LYS  79          1HG       LYS  79   8.771   3.493  -7.029
  611   2HG   LYS  79          2HG       LYS  79   8.855   1.733  -7.024
  612   1HD   LYS  79          1HD       LYS  79  10.976   2.630  -6.307
  613   2HD   LYS  79          2HD       LYS  79  11.173   1.885  -7.894
  614   1HE   LYS  79          1HE       LYS  79  11.049   4.076  -8.952
  615   2HE   LYS  79          2HE       LYS  79  10.805   4.834  -7.380
  616   1HZ   LYS  79          1HZ       LYS  79  13.230   3.373  -8.274
  617   2HZ   LYS  79          2HZ       LYS  79  12.998   3.988  -6.715
  618   3HZ   LYS  79          3HZ       LYS  79  13.091   5.043  -8.033
  619    H    ASN  80           H        ASN  80   6.876   5.086 -10.184
  620    HA   ASN  80           HA       ASN  80   6.190   5.912 -12.200
  621   1HB   ASN  80          1HB       ASN  80   8.240   3.902 -13.146
  622   2HB   ASN  80          2HB       ASN  80   7.638   5.265 -14.084
  623   1HD2  ASN  80          1HD2      ASN  80   8.965   6.911 -14.122
  624   2HD2  ASN  80          2HD2      ASN  80  10.042   7.392 -12.858
  625    H    GLY  81           H        GLY  81   4.099   4.709 -11.717
  626   1HA   GLY  81          1HA       GLY  81   2.343   3.391 -12.371
  627   2HA   GLY  81          2HA       GLY  81   2.889   3.828 -13.989
  628    H    LYS  82           H        LYS  82   4.712   1.882 -11.709
  629    HA   LYS  82           HA       LYS  82   4.042  -0.559 -13.165
  630   1HB   LYS  82          1HB       LYS  82   6.862   0.479 -12.800
  631   2HB   LYS  82          2HB       LYS  82   6.464  -1.140 -13.353
  632   1HG   LYS  82          1HG       LYS  82   5.391  -0.245 -15.323
  633   2HG   LYS  82          2HG       LYS  82   5.695   1.400 -14.766
  634   1HD   LYS  82          1HD       LYS  82   8.110   0.979 -14.868
  635   2HD   LYS  82          2HD       LYS  82   7.794  -0.660 -15.440
  636   1HE   LYS  82          1HE       LYS  82   7.012   1.892 -16.847
  637   2HE   LYS  82          2HE       LYS  82   8.356   0.839 -17.288
  638   1HZ   LYS  82          1HZ       LYS  82   6.353  -0.901 -17.305
  639   2HZ   LYS  82          2HZ       LYS  82   6.820  -0.019 -18.670
  640   3HZ   LYS  82          3HZ       LYS  82   5.506   0.498 -17.739
  641    H    GLU  83           H        GLU  83   6.055  -2.131 -11.922
  642    HA   GLU  83           HA       GLU  83   5.091  -2.077  -9.144
  643   1HB   GLU  83          1HB       GLU  83   4.481  -4.047 -10.556
  644   2HB   GLU  83          2HB       GLU  83   6.188  -4.386 -10.776
  645   1HG   GLU  83          1HG       GLU  83   6.456  -4.997  -8.517
  646   2HG   GLU  83          2HG       GLU  83   4.883  -4.333  -8.071
  647    H    VAL  84           H        VAL  84   6.853  -3.409  -7.729
  648    HA   VAL  84           HA       VAL  84   9.580  -2.955  -8.424
  649    HB   VAL  84           HB       VAL  84  10.028  -1.465  -6.416
  650   1HG1  VAL  84          1HG1      VAL  84   9.808  -0.885  -8.991
  651   2HG1  VAL  84          2HG1      VAL  84  10.099   0.353  -7.774
  652   3HG1  VAL  84          3HG1      VAL  84   8.470   0.098  -8.396
  653   1HG2  VAL  84          1HG2      VAL  84   7.698   0.048  -6.402
  654   2HG2  VAL  84          2HG2      VAL  84   8.296  -0.994  -5.112
  655   3HG2  VAL  84          3HG2      VAL  84   7.150  -1.622  -6.294
  656    H    ALA  85           H        ALA  85   7.325  -3.430  -5.698
  657    HA   ALA  85           HA       ALA  85   8.655  -5.876  -4.999
  658   1HB   ALA  85          1HB       ALA  85   8.776  -3.714  -2.917
  659   2HB   ALA  85          2HB       ALA  85  10.111  -4.052  -4.019
  660   3HB   ALA  85          3HB       ALA  85   9.554  -5.297  -2.902
  661    H    LYS  86           H        LYS  86   7.637  -7.009  -3.238
  662    HA   LYS  86           HA       LYS  86   5.109  -5.976  -2.263
  663   1HB   LYS  86          1HB       LYS  86   4.116  -8.326  -2.960
  664   2HB   LYS  86          2HB       LYS  86   4.071  -6.949  -4.046
  665   1HG   LYS  86          1HG       LYS  86   4.736  -8.973  -5.211
  666   2HG   LYS  86          2HG       LYS  86   6.035  -7.783  -5.214
  667   1HD   LYS  86          1HD       LYS  86   7.192  -8.969  -3.471
  668   2HD   LYS  86          2HD       LYS  86   5.844 -10.094  -3.286
  669   1HE   LYS  86          1HE       LYS  86   7.568  -9.773  -5.741
  670   2HE   LYS  86          2HE       LYS  86   7.672 -11.087  -4.571
  671   1HZ   LYS  86          1HZ       LYS  86   5.090 -11.192  -5.247
  672   2HZ   LYS  86          2HZ       LYS  86   6.298 -12.103  -6.004
  673   3HZ   LYS  86          3HZ       LYS  86   5.763 -10.659  -6.706
  674    H    VAL  87           H        VAL  87   5.220  -6.283  -0.159
  675    HA   VAL  87           HA       VAL  87   6.061  -8.905   0.849
  676    HB   VAL  87           HB       VAL  87   7.071  -6.286   1.967
  677   1HG1  VAL  87          1HG1      VAL  87   7.813  -9.092   2.778
  678   2HG1  VAL  87          2HG1      VAL  87   6.647  -8.089   3.641
  679   3HG1  VAL  87          3HG1      VAL  87   8.333  -7.583   3.531
  680   1HG2  VAL  87          1HG2      VAL  87   8.191  -8.218   0.040
  681   2HG2  VAL  87          2HG2      VAL  87   9.289  -7.643   1.295
  682   3HG2  VAL  87          3HG2      VAL  87   8.493  -6.490   0.223
  683    H    VAL  88           H        VAL  88   4.242  -9.616   1.782
  684    HA   VAL  88           HA       VAL  88   2.300  -7.911   2.965
  685    HB   VAL  88           HB       VAL  88   1.549 -10.002   2.059
  686   1HG1  VAL  88          1HG1      VAL  88   2.971 -11.720   2.107
  687   2HG1  VAL  88          2HG1      VAL  88   2.416 -12.016   3.754
  688   3HG1  VAL  88          3HG1      VAL  88   3.863 -11.048   3.470
  689   1HG2  VAL  88          1HG2      VAL  88  -0.033  -9.978   3.619
  690   2HG2  VAL  88          2HG2      VAL  88   1.071  -9.265   4.789
  691   3HG2  VAL  88          3HG2      VAL  88   0.975 -11.016   4.624
  692    H    GLY  89           H        GLY  89   2.668  -6.809   4.758
  693   1HA   GLY  89          1HA       GLY  89   2.706  -7.331   7.258
  694   2HA   GLY  89          2HA       GLY  89   4.262  -8.066   6.897
  695    H    ALA  90           H        ALA  90   2.629  -5.202   7.696
  696    HA   ALA  90           HA       ALA  90   4.837  -3.482   6.863
  697   1HB   ALA  90          1HB       ALA  90   2.243  -2.983   6.747
  698   2HB   ALA  90          2HB       ALA  90   3.418  -1.704   7.055
  699   3HB   ALA  90          3HB       ALA  90   2.522  -2.419   8.395
  700    H    ASN  91           H        ASN  91   5.449  -5.393   8.853
  701    HA   ASN  91           HA       ASN  91   5.363  -4.236  11.442
  702   1HB   ASN  91          1HB       ASN  91   7.078  -6.440  10.284
  703   2HB   ASN  91          2HB       ASN  91   6.964  -6.045  11.987
  704   1HD2  ASN  91          1HD2      ASN  91   5.709  -7.366  13.070
  705   2HD2  ASN  91          2HD2      ASN  91   4.285  -8.139  12.475
  706    HA   PRO  92           HA       PRO  92   8.543  -1.148  11.120
  707   1HB   PRO  92          1HB       PRO  92   9.201  -2.178  13.852
  708   2HB   PRO  92          2HB       PRO  92   9.021  -0.509  13.293
  709   1HG   PRO  92          1HG       PRO  92   7.060  -1.635  14.653
  710   2HG   PRO  92          2HG       PRO  92   6.696  -0.647  13.223
  711   1HD   PRO  92          1HD       PRO  92   6.686  -3.621  13.521
  712   2HD   PRO  92          2HD       PRO  92   5.599  -2.577  12.584
  713    H    ALA  93           H        ALA  93   9.709  -2.450   9.519
  714    HA   ALA  93           HA       ALA  93  12.368  -2.921  10.202
  715   1HB   ALA  93          1HB       ALA  93  11.356  -5.598   9.572
  716   2HB   ALA  93          2HB       ALA  93  10.884  -4.989  11.157
  717   3HB   ALA  93          3HB       ALA  93  12.590  -5.091  10.725
  718    H    ALA  94           H        ALA  94   9.711  -3.859   8.055
  719    HA   ALA  94           HA       ALA  94  11.595  -3.674   5.801
  720   1HB   ALA  94          1HB       ALA  94   8.997  -5.074   5.465
  721   2HB   ALA  94          2HB       ALA  94  10.270  -5.886   6.376
  722   3HB   ALA  94          3HB       ALA  94  10.558  -5.391   4.708
  723    H    ILE  95           H        ILE  95   8.251  -2.964   6.778
  724    HA   ILE  95           HA       ILE  95   7.434  -1.604   4.515
  725    HB   ILE  95           HB       ILE  95   5.874  -2.098   6.273
  726   1HG1  ILE  95          1HG1      ILE  95   4.699   0.031   6.486
  727   2HG1  ILE  95          2HG1      ILE  95   6.162   0.906   6.051
  728   1HG2  ILE  95          1HG2      ILE  95   7.776  -0.548   7.925
  729   2HG2  ILE  95          2HG2      ILE  95   6.862  -2.006   8.309
  730   3HG2  ILE  95          3HG2      ILE  95   6.065  -0.433   8.336
  731   1HD1  ILE  95          1HD1      ILE  95   4.209  -0.480   4.360
  732   2HD1  ILE  95          2HD1      ILE  95   5.896  -0.714   3.909
  733   3HD1  ILE  95          3HD1      ILE  95   5.229   0.914   4.014
  734    H    LYS  96           H        LYS  96   9.901  -0.732   6.718
  735    HA   LYS  96           HA       LYS  96   9.751   2.106   6.035
  736   1HB   LYS  96          1HB       LYS  96  11.595   2.387   7.639
  737   2HB   LYS  96          2HB       LYS  96  10.226   1.553   8.359
  738   1HG   LYS  96          1HG       LYS  96  11.376  -0.581   8.102
  739   2HG   LYS  96          2HG       LYS  96  12.742   0.244   7.352
  740   1HD   LYS  96          1HD       LYS  96  13.260  -0.202   9.659
  741   2HD   LYS  96          2HD       LYS  96  13.062   1.536   9.436
  742   1HE   LYS  96          1HE       LYS  96  10.849  -0.251  10.420
  743   2HE   LYS  96          2HE       LYS  96  11.998   0.530  11.504
  744   1HZ   LYS  96          1HZ       LYS  96  10.641   2.266  11.475
  745   2HZ   LYS  96          2HZ       LYS  96   9.704   1.622  10.225
  746   3HZ   LYS  96          3HZ       LYS  96  11.082   2.534   9.864
  747    H    GLN  97           H        GLN  97  12.038  -0.595   5.762
  748    HA   GLN  97           HA       GLN  97  13.899   0.863   4.177
  749   1HB   GLN  97          1HB       GLN  97  13.560  -2.121   4.528
  750   2HB   GLN  97          2HB       GLN  97  14.948  -1.341   3.784
  751   1HG   GLN  97          1HG       GLN  97  15.438  -0.215   5.903
  752   2HG   GLN  97          2HG       GLN  97  14.061  -1.025   6.643
  753   1HE2  GLN  97          1HE2      GLN  97  15.324  -3.200   4.519
  754   2HE2  GLN  97          2HE2      GLN  97  16.394  -4.043   5.577
  755    H    ALA  98           H        ALA  98  11.123  -1.150   3.506
  756    HA   ALA  98           HA       ALA  98  11.563  -1.694   0.797
  757   1HB   ALA  98          1HB       ALA  98   9.081  -1.886   0.646
  758   2HB   ALA  98          2HB       ALA  98   8.981  -1.270   2.296
  759   3HB   ALA  98          3HB       ALA  98   9.792  -2.802   1.974
  760    H    ILE  99           H        ILE  99  10.407   1.167   2.420
  761    HA   ILE  99           HA       ILE  99   9.749   2.509  -0.067
  762    HB   ILE  99           HB       ILE  99   9.538   3.330   2.833
  763   1HG1  ILE  99          1HG1      ILE  99   7.123   3.315   2.342
  764   2HG1  ILE  99          2HG1      ILE  99   7.466   2.816   0.691
  765   1HG2  ILE  99          1HG2      ILE  99   8.839   4.946   0.379
  766   2HG2  ILE  99          2HG2      ILE  99  10.101   5.314   1.553
  767   3HG2  ILE  99          3HG2      ILE  99   8.406   5.371   2.036
  768   1HD1  ILE  99          1HD1      ILE  99   6.823   1.125   2.667
  769   2HD1  ILE  99          2HD1      ILE  99   8.580   1.100   2.798
  770   3HD1  ILE  99          3HD1      ILE  99   7.805   0.676   1.273
  771    H    ALA 100           H        ALA 100  12.479   2.067   1.877
  772    HA   ALA 100           HA       ALA 100  13.684   4.635   1.236
  773   1HB   ALA 100          1HB       ALA 100  13.927   3.082   3.418
  774   2HB   ALA 100          2HB       ALA 100  15.152   4.242   2.905
  775   3HB   ALA 100          3HB       ALA 100  15.326   2.535   2.496
  776    H    ALA 101           H        ALA 101  14.753   1.249   0.922
  777    HA   ALA 101           HA       ALA 101  16.788   1.672  -0.902
  778   1HB   ALA 101          1HB       ALA 101  16.765  -0.439   0.052
  779   2HB   ALA 101          2HB       ALA 101  16.249  -0.760  -1.604
  780   3HB   ALA 101          3HB       ALA 101  15.057  -0.693  -0.306
  781    H    ASN 102           H        ASN 102  13.333   1.481  -1.433
  782    HA   ASN 102           HA       ASN 102  13.659   1.383  -4.313
  783   1HB   ASN 102          1HB       ASN 102  11.291   1.328  -2.455
  784   2HB   ASN 102          2HB       ASN 102  11.107   1.512  -4.198
  785   1HD2  ASN 102          1HD2      ASN 102  11.003  -0.667  -1.809
  786   2HD2  ASN 102          2HD2      ASN 102  11.437  -2.099  -2.672
  787    H    ALA 103           H        ALA 103  11.743   3.473  -2.141
  788    HA   ALA 103           HA       ALA 103  11.623   5.588  -4.041
  789   1HB   ALA 103          1HB       ALA 103  10.143   4.959  -1.891
  790   2HB   ALA 103          2HB       ALA 103  10.163   6.564  -2.621
  791   3HB   ALA 103          3HB       ALA 103  11.153   6.230  -1.200
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  -0.412  11.673   6.058
    2   2H    MET   1          2H        MET   1  -0.320  13.210   5.302
    3   3H    MET   1          3H        MET   1   0.652  11.913   4.736
    4    HA   MET   1           HA       MET   1  -2.246  12.289   4.515
    5   1HB   MET   1          1HB       MET   1  -0.841  13.302   2.802
    6   2HB   MET   1          2HB       MET   1   0.012  11.784   2.565
    7   1HG   MET   1          1HG       MET   1  -2.032  10.755   1.730
    8   2HG   MET   1          2HG       MET   1  -2.903  12.264   1.984
    9   1HE   MET   1          1HE       MET   1  -3.384  11.051  -0.309
   10   2HE   MET   1          2HE       MET   1  -2.428  11.283  -1.773
   11   3HE   MET   1          3HE       MET   1  -3.456  12.585  -1.176
   12    H    VAL   2           H        VAL   2  -3.458  10.528   3.640
   13    HA   VAL   2           HA       VAL   2  -2.452   7.937   3.240
   14    HB   VAL   2           HB       VAL   2  -2.095   8.218   5.752
   15   1HG1  VAL   2          1HG1      VAL   2  -4.025   7.895   7.196
   16   2HG1  VAL   2          2HG1      VAL   2  -5.091   7.904   5.793
   17   3HG1  VAL   2          3HG1      VAL   2  -4.204   9.363   6.235
   18   1HG2  VAL   2          1HG2      VAL   2  -3.694   5.896   5.855
   19   2HG2  VAL   2          2HG2      VAL   2  -1.952   6.015   5.623
   20   3HG2  VAL   2          3HG2      VAL   2  -3.028   6.003   4.226
   21    H    THR   3           H        THR   3  -3.949   6.912   2.036
   22    HA   THR   3           HA       THR   3  -6.775   7.243   2.619
   23    HB   THR   3           HB       THR   3  -5.600   8.031  -0.054
   24    HG1  THR   3           HG1      THR   3  -5.804   9.997   0.622
   25   1HG2  THR   3          1HG2      THR   3  -8.447   7.718   0.825
   26   2HG2  THR   3          2HG2      THR   3  -7.650   7.048  -0.600
   27   3HG2  THR   3          3HG2      THR   3  -7.978   8.779  -0.504
   28    H    GLN   4           H        GLN   4  -8.138   5.796   1.305
   29    HA   GLN   4           HA       GLN   4  -6.691   3.309   0.661
   30   1HB   GLN   4          1HB       GLN   4  -9.650   3.625   1.206
   31   2HB   GLN   4          2HB       GLN   4  -8.737   2.130   1.112
   32   1HG   GLN   4          1HG       GLN   4  -9.067   2.444   3.384
   33   2HG   GLN   4          2HG       GLN   4  -7.420   2.990   3.105
   34   1HE2  GLN   4          1HE2      GLN   4  -9.870   5.133   2.001
   35   2HE2  GLN   4          2HE2      GLN   4  -9.773   6.255   3.305
   36    H    PHE   5           H        PHE   5  -8.436   1.974  -0.905
   37    HA   PHE   5           HA       PHE   5  -9.149   3.779  -3.103
   38   1HB   PHE   5          1HB       PHE   5  -7.477   1.278  -3.368
   39   2HB   PHE   5          2HB       PHE   5  -8.239   2.103  -4.734
   40    HD1  PHE   5           HD1      PHE   5  -7.761   4.942  -3.809
   41    HD2  PHE   5           HD2      PHE   5  -5.220   1.524  -3.940
   42    HE1  PHE   5           HE1      PHE   5  -5.804   6.416  -4.055
   43    HE2  PHE   5           HE2      PHE   5  -3.264   2.998  -4.191
   44    HZ   PHE   5           HZ       PHE   5  -3.551   5.438  -4.250
   45    H    LYS   6           H        LYS   6 -11.291   3.559  -3.180
   46    HA   LYS   6           HA       LYS   6 -12.534   0.954  -2.787
   47   1HB   LYS   6          1HB       LYS   6 -13.551   3.767  -3.009
   48   2HB   LYS   6          2HB       LYS   6 -14.652   2.423  -3.271
   49   1HG   LYS   6          1HG       LYS   6 -12.989   2.774  -0.790
   50   2HG   LYS   6          2HG       LYS   6 -14.653   3.332  -0.957
   51   1HD   LYS   6          1HD       LYS   6 -13.764   0.469  -1.308
   52   2HD   LYS   6          2HD       LYS   6 -14.464   1.128   0.172
   53   1HE   LYS   6          1HE       LYS   6 -15.794   1.009  -2.534
   54   2HE   LYS   6          2HE       LYS   6 -16.148  -0.032  -1.157
   55   1HZ   LYS   6          1HZ       LYS   6 -16.573   2.903  -1.305
   56   2HZ   LYS   6          2HZ       LYS   6 -16.816   1.967   0.083
   57   3HZ   LYS   6          3HZ       LYS   6 -17.771   1.710  -1.288
   58    H    THR   7           H        THR   7 -11.722   3.159  -5.359
   59    HA   THR   7           HA       THR   7 -12.920   1.273  -7.277
   60    HB   THR   7           HB       THR   7 -13.339   3.192  -8.787
   61    HG1  THR   7           HG1      THR   7 -12.459   4.682  -6.547
   62   1HG2  THR   7          1HG2      THR   7 -15.323   2.771  -7.776
   63   2HG2  THR   7          2HG2      THR   7 -15.032   4.399  -7.165
   64   3HG2  THR   7          3HG2      THR   7 -14.676   3.002  -6.152
   65    H    ALA   8           H        ALA   8 -11.549   0.457  -8.724
   66    HA   ALA   8           HA       ALA   8  -8.806   0.824  -8.589
   67   1HB   ALA   8          1HB       ALA   8  -8.848  -0.231 -10.944
   68   2HB   ALA   8          2HB       ALA   8 -10.589  -0.341 -10.692
   69   3HB   ALA   8          3HB       ALA   8  -9.485  -1.161  -9.588
   70    H    SER   9           H        SER   9 -11.177   2.707 -10.246
   71    HA   SER   9           HA       SER   9  -9.551   3.889 -12.213
   72   1HB   SER   9          1HB       SER   9 -11.994   4.089 -12.247
   73   2HB   SER   9          2HB       SER   9 -11.948   5.043 -10.765
   74    HG   SER   9           HG       SER   9 -10.838   6.654 -11.888
   75    H    GLU  10           H        GLU  10  -9.538   4.199  -8.816
   76    HA   GLU  10           HA       GLU  10  -8.323   6.817  -8.830
   77   1HB   GLU  10          1HB       GLU  10  -8.988   4.939  -6.571
   78   2HB   GLU  10          2HB       GLU  10  -8.270   6.531  -6.354
   79   1HG   GLU  10          1HG       GLU  10 -10.238   7.564  -7.348
   80   2HG   GLU  10          2HG       GLU  10 -10.953   5.973  -7.599
   81    H    PHE  11           H        PHE  11  -7.480   3.622  -7.626
   82    HA   PHE  11           HA       PHE  11  -4.796   4.166  -7.030
   83   1HB   PHE  11          1HB       PHE  11  -6.128   2.165  -6.276
   84   2HB   PHE  11          2HB       PHE  11  -5.922   1.495  -7.889
   85    HD1  PHE  11           HD1      PHE  11  -5.032  -0.363  -6.239
   86    HD2  PHE  11           HD2      PHE  11  -3.015   3.288  -7.096
   87    HE1  PHE  11           HE1      PHE  11  -2.903  -1.374  -5.534
   88    HE2  PHE  11           HE2      PHE  11  -0.885   2.278  -6.401
   89    HZ   PHE  11           HZ       PHE  11  -0.829  -0.051  -5.617
   90    H    ASP  12           H        ASP  12  -6.383   3.231 -10.012
   91    HA   ASP  12           HA       ASP  12  -4.267   2.363 -11.550
   92   1HB   ASP  12          1HB       ASP  12  -6.597   2.342 -12.320
   93   2HB   ASP  12          2HB       ASP  12  -6.582   4.098 -12.435
   94    H    SER  13           H        SER  13  -5.443   5.727 -11.341
   95    HA   SER  13           HA       SER  13  -3.312   6.820 -12.839
   96   1HB   SER  13          1HB       SER  13  -5.143   8.158 -10.832
   97   2HB   SER  13          2HB       SER  13  -4.102   8.999 -11.979
   98    HG   SER  13           HG       SER  13  -5.288   7.873 -13.651
   99    H    ALA  14           H        ALA  14  -3.620   5.931  -9.505
  100    HA   ALA  14           HA       ALA  14  -1.714   7.564  -8.306
  101   1HB   ALA  14          1HB       ALA  14  -1.688   4.811  -7.324
  102   2HB   ALA  14          2HB       ALA  14  -3.305   5.497  -7.481
  103   3HB   ALA  14          3HB       ALA  14  -2.093   6.312  -6.492
  104    H    ILE  15           H        ILE  15  -1.092   4.148  -9.099
  105    HA   ILE  15           HA       ILE  15   1.669   4.257  -8.959
  106    HB   ILE  15           HB       ILE  15   1.711   2.216 -10.308
  107   1HG1  ILE  15          1HG1      ILE  15  -1.232   2.794 -10.720
  108   2HG1  ILE  15          2HG1      ILE  15   0.010   2.742 -11.965
  109   1HG2  ILE  15          1HG2      ILE  15   0.929   0.962  -8.604
  110   2HG2  ILE  15          2HG2      ILE  15  -0.648   1.748  -8.605
  111   3HG2  ILE  15          3HG2      ILE  15   0.726   2.530  -7.825
  112   1HD1  ILE  15          1HD1      ILE  15  -0.079   0.279 -10.464
  113   2HD1  ILE  15          2HD1      ILE  15  -0.207   0.553 -12.201
  114   3HD1  ILE  15          3HD1      ILE  15  -1.641   0.670 -11.181
  115    H    ALA  16           H        ALA  16  -0.361   4.648 -11.851
  116    HA   ALA  16           HA       ALA  16   1.503   4.824 -13.808
  117   1HB   ALA  16          1HB       ALA  16  -0.115   5.721 -15.114
  118   2HB   ALA  16          2HB       ALA  16  -0.582   6.920 -13.908
  119   3HB   ALA  16          3HB       ALA  16  -1.125   5.249 -13.749
  120    H    GLN  17           H        GLN  17   3.455   5.723 -13.351
  121    HA   GLN  17           HA       GLN  17   5.041   7.300 -12.899
  122   1HB   GLN  17          1HB       GLN  17   3.079   8.855 -14.586
  123   2HB   GLN  17          2HB       GLN  17   4.717   9.389 -14.231
  124   1HG   GLN  17          1HG       GLN  17   4.143   6.746 -15.522
  125   2HG   GLN  17          2HG       GLN  17   4.327   8.234 -16.456
  126   1HE2  GLN  17          1HE2      GLN  17   6.269   8.414 -17.294
  127   2HE2  GLN  17          2HE2      GLN  17   7.751   7.901 -16.570
  128    H    ASP  18           H        ASP  18   4.875   7.571 -10.660
  129    HA   ASP  18           HA       ASP  18   4.264  10.168  -9.782
  130   1HB   ASP  18          1HB       ASP  18   1.937   9.374 -10.029
  131   2HB   ASP  18          2HB       ASP  18   2.279   8.062  -8.905
  132    H    LYS  19           H        LYS  19   6.456   8.426  -9.547
  133    HA   LYS  19           HA       LYS  19   8.032   7.869  -7.987
  134   1HB   LYS  19          1HB       LYS  19   6.039   9.193  -6.170
  135   2HB   LYS  19          2HB       LYS  19   7.597   8.627  -5.611
  136   1HG   LYS  19          1HG       LYS  19   8.763  10.176  -6.938
  137   2HG   LYS  19          2HG       LYS  19   7.319  10.584  -7.868
  138   1HD   LYS  19          1HD       LYS  19   7.595  11.120  -4.917
  139   2HD   LYS  19          2HD       LYS  19   8.077  12.278  -6.148
  140   1HE   LYS  19          1HE       LYS  19   5.891  12.885  -5.469
  141   2HE   LYS  19          2HE       LYS  19   5.738  12.140  -7.056
  142   1HZ   LYS  19          1HZ       LYS  19   5.457  10.341  -4.801
  143   2HZ   LYS  19          2HZ       LYS  19   4.561  10.433  -6.233
  144   3HZ   LYS  19          3HZ       LYS  19   4.231  11.496  -4.962
  145    H    LEU  20           H        LEU  20   7.614   6.884  -5.337
  146    HA   LEU  20           HA       LEU  20   6.514   4.276  -6.036
  147   1HB   LEU  20          1HB       LEU  20   8.789   4.320  -5.162
  148   2HB   LEU  20          2HB       LEU  20   8.230   5.152  -3.711
  149    HG   LEU  20           HG       LEU  20   6.853   3.153  -3.157
  150   1HD1  LEU  20          1HD1      LEU  20   7.246   2.439  -5.762
  151   2HD1  LEU  20          2HD1      LEU  20   6.662   1.372  -4.486
  152   3HD1  LEU  20          3HD1      LEU  20   8.373   1.383  -4.909
  153   1HD2  LEU  20          1HD2      LEU  20   9.834   2.994  -3.391
  154   2HD2  LEU  20          2HD2      LEU  20   8.909   1.667  -2.689
  155   3HD2  LEU  20          3HD2      LEU  20   8.840   3.272  -1.961
  156    H    VAL  21           H        VAL  21   4.491   3.914  -5.515
  157    HA   VAL  21           HA       VAL  21   3.312   5.240  -3.185
  158    HB   VAL  21           HB       VAL  21   1.952   3.702  -5.405
  159   1HG1  VAL  21          1HG1      VAL  21   0.673   3.635  -3.345
  160   2HG1  VAL  21          2HG1      VAL  21  -0.116   4.689  -4.518
  161   3HG1  VAL  21          3HG1      VAL  21   0.802   5.386  -3.182
  162   1HG2  VAL  21          1HG2      VAL  21   2.469   5.561  -6.572
  163   2HG2  VAL  21          2HG2      VAL  21   2.764   6.518  -5.121
  164   3HG2  VAL  21          3HG2      VAL  21   1.114   6.255  -5.682
  165    H    VAL  22           H        VAL  22   2.976   4.148  -1.363
  166    HA   VAL  22           HA       VAL  22   3.318   1.237  -1.392
  167    HB   VAL  22           HB       VAL  22   3.286   3.125   0.969
  168   1HG1  VAL  22          1HG1      VAL  22   2.854   1.173   2.026
  169   2HG1  VAL  22          2HG1      VAL  22   4.590   0.938   1.830
  170   3HG1  VAL  22          3HG1      VAL  22   3.466   0.191   0.696
  171   1HG2  VAL  22          1HG2      VAL  22   5.209   3.104  -0.882
  172   2HG2  VAL  22          2HG2      VAL  22   5.763   1.753   0.106
  173   3HG2  VAL  22          3HG2      VAL  22   5.542   3.344   0.834
  174    H    VAL  23           H        VAL  23   1.346   0.450  -1.974
  175    HA   VAL  23           HA       VAL  23  -0.991   1.300  -0.413
  176    HB   VAL  23           HB       VAL  23  -0.949  -0.343  -2.944
  177   1HG1  VAL  23          1HG1      VAL  23  -2.935  -0.514  -1.387
  178   2HG1  VAL  23          2HG1      VAL  23  -3.286  -0.015  -3.042
  179   3HG1  VAL  23          3HG1      VAL  23  -3.246   1.183  -1.749
  180   1HG2  VAL  23          1HG2      VAL  23  -1.130   2.615  -2.503
  181   2HG2  VAL  23          2HG2      VAL  23  -1.841   1.854  -3.924
  182   3HG2  VAL  23          3HG2      VAL  23  -0.109   1.720  -3.627
  183    H    ASP  24           H        ASP  24  -1.964  -0.036   0.970
  184    HA   ASP  24           HA       ASP  24  -0.888  -2.747   1.239
  185   1HB   ASP  24          1HB       ASP  24  -0.802  -1.319   3.240
  186   2HB   ASP  24          2HB       ASP  24  -2.556  -1.105   3.164
  187    H    PHE  25           H        PHE  25  -2.109  -4.519   0.851
  188    HA   PHE  25           HA       PHE  25  -4.852  -4.104  -0.056
  189   1HB   PHE  25          1HB       PHE  25  -2.813  -6.293  -0.429
  190   2HB   PHE  25          2HB       PHE  25  -4.506  -6.513  -0.868
  191    HD1  PHE  25           HD1      PHE  25  -2.028  -3.742  -1.359
  192    HD2  PHE  25           HD2      PHE  25  -4.804  -6.450  -3.097
  193    HE1  PHE  25           HE1      PHE  25  -1.535  -2.804  -3.580
  194    HE2  PHE  25           HE2      PHE  25  -4.338  -5.509  -5.316
  195    HZ   PHE  25           HZ       PHE  25  -2.707  -3.680  -5.564
  196    H    TYR  26           H        TYR  26  -4.869  -3.840   2.556
  197    HA   TYR  26           HA       TYR  26  -4.953  -6.119   4.161
  198   1HB   TYR  26          1HB       TYR  26  -6.520  -4.689   5.598
  199   2HB   TYR  26          2HB       TYR  26  -4.912  -4.050   5.280
  200    HD1  TYR  26           HD1      TYR  26  -8.204  -3.977   3.477
  201    HD2  TYR  26           HD2      TYR  26  -4.898  -1.762   4.980
  202    HE1  TYR  26           HE1      TYR  26  -9.189  -1.916   2.587
  203    HE2  TYR  26           HE2      TYR  26  -5.887   0.303   4.130
  204    HH   TYR  26           HH       TYR  26  -9.098   0.484   2.988
  205    H    ALA  27           H        ALA  27  -6.545  -7.572   4.715
  206    HA   ALA  27           HA       ALA  27  -8.544  -8.095   2.771
  207   1HB   ALA  27          1HB       ALA  27  -9.367  -9.761   4.531
  208   2HB   ALA  27          2HB       ALA  27  -7.966  -9.259   5.476
  209   3HB   ALA  27          3HB       ALA  27  -7.742  -9.989   3.887
  210    H    THR  28           H        THR  28 -10.674  -7.610   2.724
  211    HA   THR  28           HA       THR  28 -11.644  -5.380   4.019
  212    HB   THR  28           HB       THR  28 -12.725  -6.139   2.040
  213    HG1  THR  28           HG1      THR  28 -14.070  -5.163   3.686
  214   1HG2  THR  28          1HG2      THR  28 -13.717  -8.575   3.493
  215   2HG2  THR  28          2HG2      THR  28 -12.335  -8.583   2.399
  216   3HG2  THR  28          3HG2      THR  28 -13.935  -8.161   1.792
  217    H    TRP  29           H        TRP  29 -12.248  -8.782   4.814
  218    HA   TRP  29           HA       TRP  29 -13.856  -8.255   7.084
  219   1HB   TRP  29          1HB       TRP  29 -13.290 -10.693   7.650
  220   2HB   TRP  29          2HB       TRP  29 -14.142 -10.383   6.131
  221    HD1  TRP  29           HD1      TRP  29 -12.750 -10.731   3.855
  222    HE1  TRP  29           HE1      TRP  29 -10.628 -12.092   3.343
  223    HE3  TRP  29           HE3      TRP  29 -11.072 -11.443   8.630
  224    HZ2  TRP  29           HZ2      TRP  29  -8.520 -13.296   4.769
  225    HZ3  TRP  29           HZ3      TRP  29  -8.988 -12.704   8.970
  226    HH2  TRP  29           HH2      TRP  29  -7.740 -13.616   7.078
  227    H    CYS  30           H        CYS  30 -10.394  -8.980   6.723
  228    HA   CYS  30           HA       CYS  30  -9.628  -9.363   9.317
  229   1HB   CYS  30          1HB       CYS  30  -8.059  -9.451   7.435
  230   2HB   CYS  30          2HB       CYS  30  -8.160  -7.698   7.257
  231    HG   CYS  30           HG       CYS  30  -6.007  -8.428   8.622
  232    H    GLY  31           H        GLY  31  -9.394  -8.181  11.141
  233   1HA   GLY  31          1HA       GLY  31 -10.403  -5.426  11.050
  234   2HA   GLY  31          2HA       GLY  31 -10.340  -6.448  12.476
  235    HA   PRO  32           HA       PRO  32  -6.393  -5.108  13.944
  236   1HB   PRO  32          1HB       PRO  32  -4.938  -7.322  12.560
  237   2HB   PRO  32          2HB       PRO  32  -4.821  -6.776  14.237
  238   1HG   PRO  32          1HG       PRO  32  -6.176  -8.979  13.640
  239   2HG   PRO  32          2HG       PRO  32  -6.782  -7.849  14.864
  240   1HD   PRO  32          1HD       PRO  32  -7.713  -8.297  12.069
  241   2HD   PRO  32          2HD       PRO  32  -8.646  -7.856  13.512
  242    H    CYS  33           H        CYS  33  -6.522  -5.970  10.553
  243    HA   CYS  33           HA       CYS  33  -4.181  -4.659   9.693
  244   1HB   CYS  33          1HB       CYS  33  -5.215  -4.717   7.452
  245   2HB   CYS  33          2HB       CYS  33  -5.350  -6.273   8.284
  246    HG   CYS  33           HG       CYS  33  -7.863  -5.859   8.608
  247    H    LYS  34           H        LYS  34  -7.423  -3.517  10.361
  248    HA   LYS  34           HA       LYS  34  -7.300  -1.046   9.041
  249   1HB   LYS  34          1HB       LYS  34  -8.831  -1.779  11.544
  250   2HB   LYS  34          2HB       LYS  34  -9.132  -0.365  10.545
  251   1HG   LYS  34          1HG       LYS  34  -9.728  -1.804   8.669
  252   2HG   LYS  34          2HG       LYS  34  -9.409  -3.231   9.660
  253   1HD   LYS  34          1HD       LYS  34 -11.798  -2.750   9.571
  254   2HD   LYS  34          2HD       LYS  34 -11.177  -2.547  11.210
  255   1HE   LYS  34          1HE       LYS  34 -12.706  -0.739  10.616
  256   2HE   LYS  34          2HE       LYS  34 -11.073  -0.132  10.881
  257   1HZ   LYS  34          1HZ       LYS  34 -12.475   0.586   8.802
  258   2HZ   LYS  34          2HZ       LYS  34 -11.853  -0.845   8.151
  259   3HZ   LYS  34          3HZ       LYS  34 -10.800   0.364   8.690
  260    H    MET  35           H        MET  35  -5.880  -2.112  12.018
  261    HA   MET  35           HA       MET  35  -5.488   0.449  13.188
  262   1HB   MET  35          1HB       MET  35  -3.958  -2.128  13.603
  263   2HB   MET  35          2HB       MET  35  -3.839  -0.703  14.625
  264   1HG   MET  35          1HG       MET  35  -6.197  -0.929  15.218
  265   2HG   MET  35          2HG       MET  35  -6.315  -2.358  14.195
  266   1HE   MET  35          1HE       MET  35  -7.228  -3.908  16.335
  267   2HE   MET  35          2HE       MET  35  -7.282  -2.307  17.071
  268   3HE   MET  35          3HE       MET  35  -6.527  -3.648  17.932
  269    H    ILE  36           H        ILE  36  -4.222  -0.859  10.415
  270    HA   ILE  36           HA       ILE  36  -1.568   0.275  10.623
  271    HB   ILE  36           HB       ILE  36  -3.002  -1.096   8.351
  272   1HG1  ILE  36          1HG1      ILE  36  -0.799  -2.015  10.208
  273   2HG1  ILE  36          2HG1      ILE  36  -2.468  -2.574  10.221
  274   1HG2  ILE  36          1HG2      ILE  36  -1.506  -0.076   7.055
  275   2HG2  ILE  36          2HG2      ILE  36  -0.344  -1.207   7.750
  276   3HG2  ILE  36          3HG2      ILE  36  -0.510   0.414   8.424
  277   1HD1  ILE  36          1HD1      ILE  36  -0.847  -4.126   9.149
  278   2HD1  ILE  36          2HD1      ILE  36  -0.611  -2.918   7.885
  279   3HD1  ILE  36          3HD1      ILE  36  -2.198  -3.650   8.119
  280    H    ALA  37           H        ALA  37  -4.683   1.200   9.445
  281    HA   ALA  37           HA       ALA  37  -4.114   3.001   7.448
  282   1HB   ALA  37          1HB       ALA  37  -6.367   2.673   7.780
  283   2HB   ALA  37          2HB       ALA  37  -6.147   4.284   8.462
  284   3HB   ALA  37          3HB       ALA  37  -6.251   2.883   9.528
  285    HA   PRO  38           HA       PRO  38  -3.274   6.436  10.710
  286   1HB   PRO  38          1HB       PRO  38  -2.506   5.654  13.199
  287   2HB   PRO  38          2HB       PRO  38  -4.192   5.974  12.764
  288   1HG   PRO  38          1HG       PRO  38  -2.769   3.376  13.076
  289   2HG   PRO  38          2HG       PRO  38  -4.439   3.801  13.483
  290   1HD   PRO  38          1HD       PRO  38  -3.687   2.410  11.240
  291   2HD   PRO  38          2HD       PRO  38  -5.187   3.331  11.375
  292    H    MET  39           H        MET  39  -1.442   3.417  11.095
  293    HA   MET  39           HA       MET  39   1.059   4.626  11.501
  294   1HB   MET  39          1HB       MET  39   0.241   1.927  10.453
  295   2HB   MET  39          2HB       MET  39   1.892   2.374  10.763
  296   1HG   MET  39          1HG       MET  39   1.193   2.848  13.108
  297   2HG   MET  39          2HG       MET  39  -0.345   2.099  12.722
  298   1HE   MET  39          1HE       MET  39   0.994  -1.483  11.595
  299   2HE   MET  39          2HE       MET  39   0.472  -0.042  10.723
  300   3HE   MET  39          3HE       MET  39  -0.500  -0.669  12.054
  301    H    ILE  40           H        ILE  40  -0.517   3.263   8.617
  302    HA   ILE  40           HA       ILE  40   1.396   3.763   6.700
  303    HB   ILE  40           HB       ILE  40  -1.619   3.980   6.484
  304   1HG1  ILE  40          1HG1      ILE  40   0.300   1.781   5.698
  305   2HG1  ILE  40          2HG1      ILE  40  -0.767   1.771   7.094
  306   1HG2  ILE  40          1HG2      ILE  40  -1.392   3.851   4.081
  307   2HG2  ILE  40          2HG2      ILE  40   0.365   3.780   4.214
  308   3HG2  ILE  40          3HG2      ILE  40  -0.494   5.249   4.670
  309   1HD1  ILE  40          1HD1      ILE  40  -1.785   2.002   4.281
  310   2HD1  ILE  40          2HD1      ILE  40  -2.697   1.617   5.741
  311   3HD1  ILE  40          3HD1      ILE  40  -1.539   0.456   5.091
  312    H    GLU  41           H        GLU  41  -0.587   6.024   8.422
  313    HA   GLU  41           HA       GLU  41  -0.104   8.211   6.598
  314   1HB   GLU  41          1HB       GLU  41  -2.228   8.072   7.759
  315   2HB   GLU  41          2HB       GLU  41  -1.419   8.104   9.319
  316   1HG   GLU  41          1HG       GLU  41  -0.618  10.374   8.836
  317   2HG   GLU  41          2HG       GLU  41  -1.463  10.334   7.288
  318    H    LYS  42           H        LYS  42   1.382   6.899   9.441
  319    HA   LYS  42           HA       LYS  42   2.770   9.334  10.122
  320   1HB   LYS  42          1HB       LYS  42   3.088   6.512  11.139
  321   2HB   LYS  42          2HB       LYS  42   3.954   7.900  11.780
  322   1HG   LYS  42          1HG       LYS  42   1.727   8.929  12.296
  323   2HG   LYS  42          2HG       LYS  42   0.993   7.386  11.862
  324   1HD   LYS  42          1HD       LYS  42   3.098   7.731  13.996
  325   2HD   LYS  42          2HD       LYS  42   1.364   7.697  14.310
  326   1HE   LYS  42          1HE       LYS  42   2.218   5.518  14.750
  327   2HE   LYS  42          2HE       LYS  42   1.297   5.434  13.251
  328   1HZ   LYS  42          1HZ       LYS  42   3.104   4.854  12.102
  329   2HZ   LYS  42          2HZ       LYS  42   3.814   4.512  13.598
  330   3HZ   LYS  42          3HZ       LYS  42   4.089   6.006  12.855
  331    H    PHE  43           H        PHE  43   3.290   6.798   7.902
  332    HA   PHE  43           HA       PHE  43   6.180   7.134   7.881
  333   1HB   PHE  43          1HB       PHE  43   4.353   5.389   6.224
  334   2HB   PHE  43          2HB       PHE  43   6.104   5.436   6.043
  335    HD1  PHE  43           HD1      PHE  43   3.668   5.123   8.850
  336    HD2  PHE  43           HD2      PHE  43   7.210   3.679   6.995
  337    HE1  PHE  43           HE1      PHE  43   3.874   3.408  10.601
  338    HE2  PHE  43           HE2      PHE  43   7.422   1.954   8.740
  339    HZ   PHE  43           HZ       PHE  43   5.754   1.819  10.546
  340    H    SER  44           H        SER  44   3.430   8.415   6.297
  341    HA   SER  44           HA       SER  44   4.646   9.105   3.825
  342   1HB   SER  44          1HB       SER  44   2.214   8.998   4.058
  343   2HB   SER  44          2HB       SER  44   2.255  10.330   5.225
  344    HG   SER  44           HG       SER  44   3.089  11.653   3.550
  345    H    GLU  45           H        GLU  45   5.200  10.265   6.925
  346    HA   GLU  45           HA       GLU  45   5.777  12.994   6.122
  347   1HB   GLU  45          1HB       GLU  45   6.187  11.584   8.766
  348   2HB   GLU  45          2HB       GLU  45   6.433  13.301   8.483
  349   1HG   GLU  45          1HG       GLU  45   4.066  13.549   7.934
  350   2HG   GLU  45          2HG       GLU  45   3.821  11.828   8.224
  351    H    GLN  46           H        GLN  46   7.455   9.991   6.631
  352    HA   GLN  46           HA       GLN  46  10.058  11.284   6.620
  353   1HB   GLN  46          1HB       GLN  46   9.234   8.393   6.856
  354   2HB   GLN  46          2HB       GLN  46  10.910   8.934   6.838
  355   1HG   GLN  46          1HG       GLN  46  10.503  10.279   8.825
  356   2HG   GLN  46          2HG       GLN  46   8.823   9.748   8.843
  357   1HE2  GLN  46          1HE2      GLN  46   8.457   8.281  10.324
  358   2HE2  GLN  46          2HE2      GLN  46   9.551   7.019  10.819
  359    H    TYR  47           H        TYR  47   7.985   9.492   4.438
  360    HA   TYR  47           HA       TYR  47  10.043   9.840   2.353
  361   1HB   TYR  47          1HB       TYR  47   8.008   7.611   2.518
  362   2HB   TYR  47          2HB       TYR  47   9.208   7.835   1.245
  363    HD1  TYR  47           HD1      TYR  47  11.697   7.817   1.992
  364    HD2  TYR  47           HD2      TYR  47   8.504   6.308   4.357
  365    HE1  TYR  47           HE1      TYR  47  13.301   6.464   3.276
  366    HE2  TYR  47           HE2      TYR  47  10.098   4.932   5.646
  367    HH   TYR  47           HH       TYR  47  12.663   5.119   6.180
  368    HA   PRO  48           HA       PRO  48   5.836  12.221   1.752
  369   1HB   PRO  48          1HB       PRO  48   8.051  14.024   0.860
  370   2HB   PRO  48          2HB       PRO  48   6.501  14.437   1.601
  371   1HG   PRO  48          1HG       PRO  48   8.779  14.367   3.027
  372   2HG   PRO  48          2HG       PRO  48   7.217  13.906   3.724
  373   1HD   PRO  48          1HD       PRO  48   9.529  12.218   3.048
  374   2HD   PRO  48          2HD       PRO  48   8.151  11.872   4.114
  375    H    GLN  49           H        GLN  49   8.672  11.450  -0.133
  376    HA   GLN  49           HA       GLN  49   7.660  12.154  -2.678
  377   1HB   GLN  49          1HB       GLN  49   9.756  10.111  -1.916
  378   2HB   GLN  49          2HB       GLN  49   9.413  10.612  -3.568
  379   1HG   GLN  49          1HG       GLN  49  11.379  11.726  -2.694
  380   2HG   GLN  49          2HG       GLN  49  10.096  12.884  -3.032
  381   1HE2  GLN  49          1HE2      GLN  49   9.934  14.406  -1.565
  382   2HE2  GLN  49          2HE2      GLN  49  10.269  14.243   0.122
  383    H    ALA  50           H        ALA  50   7.465   9.250  -0.725
  384    HA   ALA  50           HA       ALA  50   6.099   7.790  -2.829
  385   1HB   ALA  50          1HB       ALA  50   7.085   7.085  -0.090
  386   2HB   ALA  50          2HB       ALA  50   7.557   6.411  -1.650
  387   3HB   ALA  50          3HB       ALA  50   5.982   6.021  -0.959
  388    H    ASP  51           H        ASP  51   3.961   7.317  -2.888
  389    HA   ASP  51           HA       ASP  51   2.239   8.838  -1.099
  390   1HB   ASP  51          1HB       ASP  51   1.571   7.185  -3.547
  391   2HB   ASP  51          2HB       ASP  51   0.430   8.179  -2.646
  392    H    PHE  52           H        PHE  52   1.346   7.969   0.635
  393    HA   PHE  52           HA       PHE  52   1.399   5.067   0.926
  394   1HB   PHE  52          1HB       PHE  52   0.999   7.271   2.954
  395   2HB   PHE  52          2HB       PHE  52   0.960   5.544   3.335
  396    HD1  PHE  52           HD1      PHE  52   3.169   7.933   1.499
  397    HD2  PHE  52           HD2      PHE  52   2.881   4.656   4.197
  398    HE1  PHE  52           HE1      PHE  52   5.617   7.926   1.746
  399    HE2  PHE  52           HE2      PHE  52   5.326   4.645   4.449
  400    HZ   PHE  52           HZ       PHE  52   6.698   6.281   3.224
  401    H    TYR  53           H        TYR  53  -0.361   4.617  -0.420
  402    HA   TYR  53           HA       TYR  53  -3.003   5.474   0.536
  403   1HB   TYR  53          1HB       TYR  53  -2.023   4.306  -2.066
  404   2HB   TYR  53          2HB       TYR  53  -3.734   4.345  -1.665
  405    HD1  TYR  53           HD1      TYR  53  -4.718   6.661  -1.071
  406    HD2  TYR  53           HD2      TYR  53  -1.037   6.124  -3.126
  407    HE1  TYR  53           HE1      TYR  53  -4.885   8.950  -1.948
  408    HE2  TYR  53           HE2      TYR  53  -1.186   8.414  -4.009
  409    HH   TYR  53           HH       TYR  53  -2.839  10.117  -4.440
  410    H    LYS  54           H        LYS  54  -4.637   3.505  -0.185
  411    HA   LYS  54           HA       LYS  54  -3.580   0.985   0.842
  412   1HB   LYS  54          1HB       LYS  54  -6.175   2.051   1.922
  413   2HB   LYS  54          2HB       LYS  54  -5.196   0.728   2.526
  414   1HG   LYS  54          1HG       LYS  54  -3.455   2.376   3.166
  415   2HG   LYS  54          2HG       LYS  54  -4.563   3.663   2.689
  416   1HD   LYS  54          1HD       LYS  54  -6.213   2.463   4.313
  417   2HD   LYS  54          2HD       LYS  54  -4.746   1.749   4.980
  418   1HE   LYS  54          1HE       LYS  54  -5.363   3.759   6.201
  419   2HE   LYS  54          2HE       LYS  54  -3.831   3.983   5.358
  420   1HZ   LYS  54          1HZ       LYS  54  -6.388   4.844   4.154
  421   2HZ   LYS  54          2HZ       LYS  54  -4.821   5.355   3.779
  422   3HZ   LYS  54          3HZ       LYS  54  -5.544   5.844   5.228
  423    H    LEU  55           H        LEU  55  -4.755  -0.845   0.180
  424    HA   LEU  55           HA       LEU  55  -6.598  -0.304  -2.040
  425   1HB   LEU  55          1HB       LEU  55  -4.471  -1.535  -2.516
  426   2HB   LEU  55          2HB       LEU  55  -5.049  -2.830  -1.487
  427    HG   LEU  55           HG       LEU  55  -5.357  -3.285  -3.903
  428   1HD1  LEU  55          1HD1      LEU  55  -7.235  -4.465  -3.529
  429   2HD1  LEU  55          2HD1      LEU  55  -8.133  -3.061  -2.953
  430   3HD1  LEU  55          3HD1      LEU  55  -7.017  -3.898  -1.874
  431   1HD2  LEU  55          1HD2      LEU  55  -5.820  -0.880  -4.479
  432   2HD2  LEU  55          2HD2      LEU  55  -7.445  -1.122  -3.838
  433   3HD2  LEU  55          3HD2      LEU  55  -6.897  -2.062  -5.224
  434    H    ASP  56           H        ASP  56  -8.638  -0.929  -1.959
  435    HA   ASP  56           HA       ASP  56  -9.657  -2.118   0.447
  436   1HB   ASP  56          1HB       ASP  56 -10.966  -1.069  -2.064
  437   2HB   ASP  56          2HB       ASP  56 -11.848  -1.664  -0.669
  438    H    VAL  57           H        VAL  57  -9.814  -4.240   0.710
  439    HA   VAL  57           HA       VAL  57  -9.809  -6.020  -1.584
  440    HB   VAL  57           HB       VAL  57  -9.697  -6.567   1.392
  441   1HG1  VAL  57          1HG1      VAL  57 -10.702  -8.514   0.587
  442   2HG1  VAL  57          2HG1      VAL  57  -8.983  -8.906   0.528
  443   3HG1  VAL  57          3HG1      VAL  57  -9.835  -8.449  -0.948
  444   1HG2  VAL  57          1HG2      VAL  57  -7.615  -6.846  -0.786
  445   2HG2  VAL  57          2HG2      VAL  57  -7.389  -7.204   0.926
  446   3HG2  VAL  57          3HG2      VAL  57  -7.692  -5.547   0.407
  447    H    ASP  58           H        ASP  58 -12.169  -4.298  -0.240
  448    HA   ASP  58           HA       ASP  58 -14.163  -6.447  -0.190
  449   1HB   ASP  58          1HB       ASP  58 -15.681  -4.768   0.768
  450   2HB   ASP  58          2HB       ASP  58 -14.200  -4.889   1.705
  451    H    GLU  59           H        GLU  59 -13.376  -3.405  -1.797
  452    HA   GLU  59           HA       GLU  59 -15.558  -3.838  -3.700
  453   1HB   GLU  59          1HB       GLU  59 -15.310  -1.602  -2.616
  454   2HB   GLU  59          2HB       GLU  59 -13.745  -1.438  -3.399
  455   1HG   GLU  59          1HG       GLU  59 -15.466  -0.215  -4.595
  456   2HG   GLU  59          2HG       GLU  59 -14.802  -1.513  -5.584
  457    H    LEU  60           H        LEU  60 -12.085  -3.828  -3.439
  458    HA   LEU  60           HA       LEU  60 -11.885  -4.369  -6.329
  459   1HB   LEU  60          1HB       LEU  60  -9.764  -3.312  -4.457
  460   2HB   LEU  60          2HB       LEU  60  -9.531  -3.663  -6.157
  461    HG   LEU  60           HG       LEU  60 -11.209  -1.912  -6.709
  462   1HD1  LEU  60          1HD1      LEU  60 -11.457  -1.892  -3.794
  463   2HD1  LEU  60          2HD1      LEU  60 -12.599  -1.383  -5.037
  464   3HD1  LEU  60          3HD1      LEU  60 -11.309  -0.295  -4.525
  465   1HD2  LEU  60          1HD2      LEU  60  -9.687  -0.171  -6.579
  466   2HD2  LEU  60          2HD2      LEU  60  -8.652  -1.592  -6.445
  467   3HD2  LEU  60          3HD2      LEU  60  -9.085  -0.680  -5.000
  468    H    GLY  61           H        GLY  61 -12.646  -6.418  -4.607
  469   1HA   GLY  61          1HA       GLY  61 -10.601  -7.988  -3.548
  470   2HA   GLY  61          2HA       GLY  61 -12.132  -8.608  -4.149
  471    H    ASP  62           H        ASP  62 -11.400  -7.380  -6.848
  472    HA   ASP  62           HA       ASP  62 -10.255  -9.734  -7.951
  473   1HB   ASP  62          1HB       ASP  62 -10.797  -7.080  -9.213
  474   2HB   ASP  62          2HB       ASP  62 -10.381  -8.540 -10.091
  475    H    VAL  63           H        VAL  63  -8.974  -6.694  -6.892
  476    HA   VAL  63           HA       VAL  63  -6.519  -6.906  -8.369
  477    HB   VAL  63           HB       VAL  63  -6.992  -5.173  -5.946
  478   1HG1  VAL  63          1HG1      VAL  63  -5.097  -4.082  -6.501
  479   2HG1  VAL  63          2HG1      VAL  63  -5.381  -4.253  -8.232
  480   3HG1  VAL  63          3HG1      VAL  63  -4.706  -5.599  -7.314
  481   1HG2  VAL  63          1HG2      VAL  63  -7.784  -3.431  -7.438
  482   2HG2  VAL  63          2HG2      VAL  63  -8.815  -4.856  -7.575
  483   3HG2  VAL  63          3HG2      VAL  63  -7.618  -4.510  -8.823
  484    H    ALA  64           H        ALA  64  -7.430  -7.342  -4.946
  485    HA   ALA  64           HA       ALA  64  -4.925  -8.108  -3.947
  486   1HB   ALA  64          1HB       ALA  64  -6.090  -9.005  -2.075
  487   2HB   ALA  64          2HB       ALA  64  -7.572  -9.204  -3.010
  488   3HB   ALA  64          3HB       ALA  64  -6.992  -7.588  -2.610
  489    H    GLN  65           H        GLN  65  -7.279  -9.845  -5.833
  490    HA   GLN  65           HA       GLN  65  -5.957 -12.403  -5.422
  491   1HB   GLN  65          1HB       GLN  65  -8.339 -11.650  -7.127
  492   2HB   GLN  65          2HB       GLN  65  -7.735 -13.286  -6.904
  493   1HG   GLN  65          1HG       GLN  65  -8.821 -11.504  -4.736
  494   2HG   GLN  65          2HG       GLN  65  -9.683 -12.833  -5.510
  495   1HE2  GLN  65          1HE2      GLN  65  -9.722 -14.614  -4.364
  496   2HE2  GLN  65          2HE2      GLN  65  -8.509 -15.149  -3.257
  497    H    LYS  66           H        LYS  66  -6.012  -9.787  -7.686
  498    HA   LYS  66           HA       LYS  66  -4.993 -11.228  -9.916
  499   1HB   LYS  66          1HB       LYS  66  -5.828  -9.355 -10.808
  500   2HB   LYS  66          2HB       LYS  66  -5.781  -8.522  -9.269
  501   1HG   LYS  66          1HG       LYS  66  -4.466  -7.293 -10.808
  502   2HG   LYS  66          2HG       LYS  66  -3.372  -8.067  -9.664
  503   1HD   LYS  66          1HD       LYS  66  -2.923  -9.840 -11.302
  504   2HD   LYS  66          2HD       LYS  66  -4.020  -9.059 -12.440
  505   1HE   LYS  66          1HE       LYS  66  -1.699  -8.524 -12.955
  506   2HE   LYS  66          2HE       LYS  66  -2.590  -7.081 -12.474
  507   1HZ   LYS  66          1HZ       LYS  66  -1.368  -6.840 -10.614
  508   2HZ   LYS  66          2HZ       LYS  66  -0.222  -7.738 -11.474
  509   3HZ   LYS  66          3HZ       LYS  66  -1.218  -8.505 -10.343
  510    H    ASN  67           H        ASN  67  -3.552  -9.051  -7.501
  511    HA   ASN  67           HA       ASN  67  -0.886  -9.508  -8.427
  512   1HB   ASN  67          1HB       ASN  67  -2.008  -8.166  -5.961
  513   2HB   ASN  67          2HB       ASN  67  -0.296  -8.203  -6.382
  514   1HD2  ASN  67          1HD2      ASN  67  -2.951  -6.349  -6.461
  515   2HD2  ASN  67          2HD2      ASN  67  -2.576  -5.332  -7.827
  516    H    GLU  68           H        GLU  68  -2.976 -11.459  -6.810
  517    HA   GLU  68           HA       GLU  68  -2.745 -13.402  -5.675
  518   1HB   GLU  68          1HB       GLU  68   0.222 -12.987  -6.082
  519   2HB   GLU  68          2HB       GLU  68  -0.547 -14.479  -5.559
  520   1HG   GLU  68          1HG       GLU  68  -1.717 -14.639  -7.685
  521   2HG   GLU  68          2HG       GLU  68  -0.978 -13.129  -8.213
  522    H    VAL  69           H        VAL  69  -2.974 -10.946  -4.252
  523    HA   VAL  69           HA       VAL  69  -1.414 -11.578  -1.830
  524    HB   VAL  69           HB       VAL  69  -2.592  -8.898  -2.576
  525   1HG1  VAL  69          1HG1      VAL  69  -0.716  -9.671  -0.338
  526   2HG1  VAL  69          2HG1      VAL  69  -2.436  -9.321  -0.159
  527   3HG1  VAL  69          3HG1      VAL  69  -1.330  -8.052  -0.680
  528   1HG2  VAL  69          1HG2      VAL  69   0.333  -9.259  -2.396
  529   2HG2  VAL  69          2HG2      VAL  69  -0.624  -8.260  -3.489
  530   3HG2  VAL  69          3HG2      VAL  69  -0.457  -9.989  -3.793
  531    H    SER  70           H        SER  70  -3.197 -13.169  -1.490
  532    HA   SER  70           HA       SER  70  -5.776 -12.073  -0.768
  533   1HB   SER  70          1HB       SER  70  -6.404 -14.391  -0.274
  534   2HB   SER  70          2HB       SER  70  -5.645 -14.270  -1.871
  535    HG   SER  70           HG       SER  70  -4.001 -15.418  -1.183
  536    H    ALA  71           H        ALA  71  -2.795 -12.607   0.779
  537    HA   ALA  71           HA       ALA  71  -3.510 -13.315   3.371
  538   1HB   ALA  71          1HB       ALA  71  -1.303 -11.457   2.489
  539   2HB   ALA  71          2HB       ALA  71  -1.195 -13.211   2.626
  540   3HB   ALA  71          3HB       ALA  71  -1.426 -12.227   4.071
  541    H    MET  72           H        MET  72  -2.856 -11.399   5.175
  542    HA   MET  72           HA       MET  72  -4.059  -8.891   4.666
  543   1HB   MET  72          1HB       MET  72  -6.095  -9.068   5.894
  544   2HB   MET  72          2HB       MET  72  -6.073 -10.328   4.672
  545   1HG   MET  72          1HG       MET  72  -5.469 -10.691   7.589
  546   2HG   MET  72          2HG       MET  72  -6.968 -11.125   6.782
  547   1HE   MET  72          1HE       MET  72  -6.759 -12.221   4.512
  548   2HE   MET  72          2HE       MET  72  -6.637 -13.945   4.864
  549   3HE   MET  72          3HE       MET  72  -5.364 -13.140   3.949
  550    HA   PRO  73           HA       PRO  73  -3.559  -7.202   5.017
  551   1HB   PRO  73          1HB       PRO  73  -1.893  -5.248   5.669
  552   2HB   PRO  73          2HB       PRO  73  -3.401  -5.491   6.574
  553   1HG   PRO  73          1HG       PRO  73  -0.609  -6.246   7.299
  554   2HG   PRO  73          2HG       PRO  73  -1.901  -5.607   8.325
  555   1HD   PRO  73          1HD       PRO  73  -1.184  -8.293   8.102
  556   2HD   PRO  73          2HD       PRO  73  -2.713  -7.679   8.761
  557    H    THR  74           H        THR  74  -1.633  -5.799   3.772
  558    HA   THR  74           HA       THR  74   0.810  -7.274   3.468
  559    HB   THR  74           HB       THR  74  -1.120  -7.285   1.141
  560    HG1  THR  74           HG1      THR  74  -0.526  -9.193   3.095
  561   1HG2  THR  74          1HG2      THR  74   1.697  -7.694   1.268
  562   2HG2  THR  74          2HG2      THR  74   0.627  -7.755  -0.127
  563   3HG2  THR  74          3HG2      THR  74   0.904  -9.206   0.838
  564    H    LEU  75           H        LEU  75   2.340  -6.203   2.129
  565    HA   LEU  75           HA       LEU  75   1.576  -3.437   1.468
  566   1HB   LEU  75          1HB       LEU  75   4.280  -4.516   2.260
  567   2HB   LEU  75          2HB       LEU  75   3.932  -2.848   1.844
  568    HG   LEU  75           HG       LEU  75   2.866  -4.348   4.236
  569   1HD1  LEU  75          1HD1      LEU  75   4.962  -3.814   4.912
  570   2HD1  LEU  75          2HD1      LEU  75   4.176  -2.274   5.255
  571   3HD1  LEU  75          3HD1      LEU  75   5.109  -2.476   3.773
  572   1HD2  LEU  75          1HD2      LEU  75   2.261  -1.632   3.122
  573   2HD2  LEU  75          2HD2      LEU  75   2.100  -1.973   4.845
  574   3HD2  LEU  75          3HD2      LEU  75   1.144  -2.881   3.674
  575    H    LEU  76           H        LEU  76   1.664  -2.867  -0.595
  576    HA   LEU  76           HA       LEU  76   3.360  -4.437  -2.425
  577   1HB   LEU  76          1HB       LEU  76   0.670  -3.167  -2.969
  578   2HB   LEU  76          2HB       LEU  76   1.686  -3.907  -4.202
  579    HG   LEU  76           HG       LEU  76   0.208  -5.248  -1.947
  580   1HD1  LEU  76          1HD1      LEU  76  -0.392  -4.775  -4.625
  581   2HD1  LEU  76          2HD1      LEU  76  -1.222  -5.870  -3.521
  582   3HD1  LEU  76          3HD1      LEU  76   0.076  -6.474  -4.549
  583   1HD2  LEU  76          1HD2      LEU  76   1.302  -7.315  -2.438
  584   2HD2  LEU  76          2HD2      LEU  76   2.544  -6.119  -2.076
  585   3HD2  LEU  76          3HD2      LEU  76   2.223  -6.578  -3.748
  586    H    LEU  77           H        LEU  77   4.850  -3.321  -3.544
  587    HA   LEU  77           HA       LEU  77   4.680  -0.383  -3.453
  588   1HB   LEU  77          1HB       LEU  77   7.108  -2.150  -3.764
  589   2HB   LEU  77          2HB       LEU  77   7.125  -0.397  -3.747
  590    HG   LEU  77           HG       LEU  77   6.258  -0.445  -1.418
  591   1HD1  LEU  77          1HD1      LEU  77   6.740  -2.796  -0.328
  592   2HD1  LEU  77          2HD1      LEU  77   6.325  -3.368  -1.944
  593   3HD1  LEU  77          3HD1      LEU  77   5.167  -2.408  -1.023
  594   1HD2  LEU  77          1HD2      LEU  77   8.682  -2.115  -1.279
  595   2HD2  LEU  77          2HD2      LEU  77   8.351  -0.531  -0.580
  596   3HD2  LEU  77          3HD2      LEU  77   8.794  -0.667  -2.282
  597    H    PHE  78           H        PHE  78   4.916   0.821  -5.281
  598    HA   PHE  78           HA       PHE  78   5.399  -0.536  -7.838
  599   1HB   PHE  78          1HB       PHE  78   3.023   1.274  -7.325
  600   2HB   PHE  78          2HB       PHE  78   3.400   0.442  -8.826
  601    HD1  PHE  78           HD1      PHE  78   3.515  -2.166  -8.677
  602    HD2  PHE  78           HD2      PHE  78   1.562   0.322  -5.832
  603    HE1  PHE  78           HE1      PHE  78   2.167  -4.084  -7.931
  604    HE2  PHE  78           HE2      PHE  78   0.210  -1.591  -5.082
  605    HZ   PHE  78           HZ       PHE  78   0.508  -3.794  -6.130
  606    H    LYS  79           H        LYS  79   6.804   0.675  -9.073
  607    HA   LYS  79           HA       LYS  79   6.890   3.573  -8.471
  608   1HB   LYS  79          1HB       LYS  79   9.157   1.744  -9.244
  609   2HB   LYS  79          2HB       LYS  79   9.277   3.494  -9.295
  610   1HG   LYS  79          1HG       LYS  79   8.650   3.503  -6.860
  611   2HG   LYS  79          2HG       LYS  79   8.855   1.752  -6.882
  612   1HD   LYS  79          1HD       LYS  79  10.887   2.779  -6.086
  613   2HD   LYS  79          2HD       LYS  79  11.180   2.077  -7.678
  614   1HE   LYS  79          1HE       LYS  79  10.932   4.277  -8.703
  615   2HE   LYS  79          2HE       LYS  79  10.604   4.985  -7.121
  616   1HZ   LYS  79          1HZ       LYS  79  12.921   3.819  -6.626
  617   2HZ   LYS  79          2HZ       LYS  79  12.807   5.396  -7.229
  618   3HZ   LYS  79          3HZ       LYS  79  13.128   4.111  -8.280
  619    H    ASN  80           H        ASN  80   6.753   5.020 -10.091
  620    HA   ASN  80           HA       ASN  80   6.130   5.818 -12.133
  621   1HB   ASN  80          1HB       ASN  80   8.219   3.820 -13.021
  622   2HB   ASN  80          2HB       ASN  80   7.604   5.150 -13.996
  623   1HD2  ASN  80          1HD2      ASN  80   8.910   6.813 -14.062
  624   2HD2  ASN  80          2HD2      ASN  80   9.961   7.343 -12.799
  625    H    GLY  81           H        GLY  81   4.090   4.452 -11.541
  626   1HA   GLY  81          1HA       GLY  81   2.355   3.131 -12.225
  627   2HA   GLY  81          2HA       GLY  81   2.892   3.570 -13.846
  628    H    LYS  82           H        LYS  82   4.977   1.784 -11.731
  629    HA   LYS  82           HA       LYS  82   4.322  -0.718 -13.121
  630   1HB   LYS  82          1HB       LYS  82   7.098   0.414 -12.700
  631   2HB   LYS  82          2HB       LYS  82   6.761  -1.209 -13.280
  632   1HG   LYS  82          1HG       LYS  82   5.980   1.339 -14.671
  633   2HG   LYS  82          2HG       LYS  82   7.334   0.296 -15.104
  634   1HD   LYS  82          1HD       LYS  82   5.775  -1.536 -15.553
  635   2HD   LYS  82          2HD       LYS  82   4.421  -0.492 -15.116
  636   1HE   LYS  82          1HE       LYS  82   4.998   1.019 -16.952
  637   2HE   LYS  82          2HE       LYS  82   6.348  -0.028 -17.389
  638   1HZ   LYS  82          1HZ       LYS  82   4.322  -1.763 -17.407
  639   2HZ   LYS  82          2HZ       LYS  82   4.839  -0.913 -18.776
  640   3HZ   LYS  82          3HZ       LYS  82   3.511  -0.357 -17.888
  641    H    GLU  83           H        GLU  83   6.386  -2.205 -11.845
  642    HA   GLU  83           HA       GLU  83   5.367  -2.198  -9.085
  643   1HB   GLU  83          1HB       GLU  83   4.873  -4.195 -10.495
  644   2HB   GLU  83          2HB       GLU  83   6.597  -4.452 -10.700
  645   1HG   GLU  83          1HG       GLU  83   6.874  -5.054  -8.442
  646   2HG   GLU  83          2HG       GLU  83   5.268  -4.464  -8.006
  647    H    VAL  84           H        VAL  84   7.168  -3.444  -7.633
  648    HA   VAL  84           HA       VAL  84   9.880  -2.859  -8.287
  649    HB   VAL  84           HB       VAL  84  10.221  -1.342  -6.275
  650   1HG1  VAL  84          1HG1      VAL  84  10.031  -0.785  -8.851
  651   2HG1  VAL  84          2HG1      VAL  84  10.214   0.477  -7.638
  652   3HG1  VAL  84          3HG1      VAL  84   8.620   0.121  -8.300
  653   1HG2  VAL  84          1HG2      VAL  84   7.359  -1.653  -6.188
  654   2HG2  VAL  84          2HG2      VAL  84   7.805   0.044  -6.326
  655   3HG2  VAL  84          3HG2      VAL  84   8.449  -0.931  -5.006
  656    H    ALA  85           H        ALA  85   7.619  -3.436  -5.575
  657    HA   ALA  85           HA       ALA  85   9.025  -5.829  -4.874
  658   1HB   ALA  85          1HB       ALA  85   9.202  -3.553  -2.907
  659   2HB   ALA  85          2HB       ALA  85  10.530  -4.108  -3.927
  660   3HB   ALA  85          3HB       ALA  85   9.846  -5.184  -2.708
  661    H    LYS  86           H        LYS  86   8.132  -6.851  -2.900
  662    HA   LYS  86           HA       LYS  86   5.544  -5.895  -2.009
  663   1HB   LYS  86          1HB       LYS  86   5.870  -8.494  -3.508
  664   2HB   LYS  86          2HB       LYS  86   4.452  -8.079  -2.553
  665   1HG   LYS  86          1HG       LYS  86   4.072  -6.142  -3.975
  666   2HG   LYS  86          2HG       LYS  86   5.472  -6.588  -4.947
  667   1HD   LYS  86          1HD       LYS  86   2.984  -8.253  -4.556
  668   2HD   LYS  86          2HD       LYS  86   3.391  -7.328  -6.004
  669   1HE   LYS  86          1HE       LYS  86   4.970  -9.637  -4.871
  670   2HE   LYS  86          2HE       LYS  86   3.918  -9.697  -6.284
  671   1HZ   LYS  86          1HZ       LYS  86   5.628  -7.635  -6.807
  672   2HZ   LYS  86          2HZ       LYS  86   5.729  -9.198  -7.447
  673   3HZ   LYS  86          3HZ       LYS  86   6.621  -8.790  -6.069
  674    H    VAL  87           H        VAL  87   5.115  -6.501   0.034
  675    HA   VAL  87           HA       VAL  87   6.342  -8.862   1.121
  676    HB   VAL  87           HB       VAL  87   7.018  -6.172   2.324
  677   1HG1  VAL  87          1HG1      VAL  87   6.692  -8.013   3.960
  678   2HG1  VAL  87          2HG1      VAL  87   8.337  -7.378   3.929
  679   3HG1  VAL  87          3HG1      VAL  87   7.969  -8.914   3.144
  680   1HG2  VAL  87          1HG2      VAL  87   8.326  -6.481   0.348
  681   2HG2  VAL  87          2HG2      VAL  87   8.701  -8.145   0.790
  682   3HG2  VAL  87          3HG2      VAL  87   9.362  -6.812   1.736
  683    H    VAL  88           H        VAL  88   4.550  -9.763   1.921
  684    HA   VAL  88           HA       VAL  88   2.364  -8.303   2.983
  685    HB   VAL  88           HB       VAL  88   1.907 -10.449   2.041
  686   1HG1  VAL  88          1HG1      VAL  88   4.152 -11.303   3.776
  687   2HG1  VAL  88          2HG1      VAL  88   3.715 -11.821   2.147
  688   3HG1  VAL  88          3HG1      VAL  88   2.844 -12.463   3.541
  689   1HG2  VAL  88          1HG2      VAL  88   1.477 -11.409   4.745
  690   2HG2  VAL  88          2HG2      VAL  88   0.307 -10.918   3.522
  691   3HG2  VAL  88          3HG2      VAL  88   1.042  -9.709   4.573
  692    H    GLY  89           H        GLY  89   3.516  -6.945   4.511
  693   1HA   GLY  89          1HA       GLY  89   3.111  -7.541   7.145
  694   2HA   GLY  89          2HA       GLY  89   4.741  -8.115   6.831
  695    H    ALA  90           H        ALA  90   2.818  -5.440   7.606
  696    HA   ALA  90           HA       ALA  90   4.884  -3.505   6.852
  697   1HB   ALA  90          1HB       ALA  90   2.298  -3.233   6.524
  698   2HB   ALA  90          2HB       ALA  90   3.291  -1.854   6.997
  699   3HB   ALA  90          3HB       ALA  90   2.347  -2.718   8.210
  700    H    ASN  91           H        ASN  91   5.547  -5.340   8.882
  701    HA   ASN  91           HA       ASN  91   5.271  -3.955  11.415
  702   1HB   ASN  91          1HB       ASN  91   5.197  -6.411  11.369
  703   2HB   ASN  91          2HB       ASN  91   6.821  -6.456  10.691
  704   1HD2  ASN  91          1HD2      ASN  91   5.136  -6.853  13.438
  705   2HD2  ASN  91          2HD2      ASN  91   6.355  -6.477  14.602
  706    HA   PRO  92           HA       PRO  92   8.796  -1.297  11.192
  707   1HB   PRO  92          1HB       PRO  92   9.363  -2.472  13.891
  708   2HB   PRO  92          2HB       PRO  92   9.398  -0.781  13.373
  709   1HG   PRO  92          1HG       PRO  92   7.317  -1.685  14.729
  710   2HG   PRO  92          2HG       PRO  92   7.075  -0.610  13.338
  711   1HD   PRO  92          1HD       PRO  92   6.634  -3.551  13.555
  712   2HD   PRO  92          2HD       PRO  92   5.735  -2.339  12.619
  713    H    ALA  93           H        ALA  93   9.837  -2.593   9.547
  714    HA   ALA  93           HA       ALA  93  12.414  -3.444  10.221
  715   1HB   ALA  93          1HB       ALA  93  12.184  -5.885   9.733
  716   2HB   ALA  93          2HB       ALA  93  10.436  -5.685   9.843
  717   3HB   ALA  93          3HB       ALA  93  11.451  -5.369  11.250
  718    H    ALA  94           H        ALA  94   9.714  -3.883   7.963
  719    HA   ALA  94           HA       ALA  94  11.644  -3.554   5.764
  720   1HB   ALA  94          1HB       ALA  94  10.786  -5.275   4.590
  721   2HB   ALA  94          2HB       ALA  94   9.135  -4.947   5.117
  722   3HB   ALA  94          3HB       ALA  94  10.240  -5.824   6.175
  723    H    ILE  95           H        ILE  95   8.305  -2.965   6.822
  724    HA   ILE  95           HA       ILE  95   7.376  -1.508   4.680
  725    HB   ILE  95           HB       ILE  95   5.938  -2.064   6.533
  726   1HG1  ILE  95          1HG1      ILE  95   4.749   0.039   6.835
  727   2HG1  ILE  95          2HG1      ILE  95   6.170   0.946   6.332
  728   1HG2  ILE  95          1HG2      ILE  95   7.927  -1.472   8.176
  729   2HG2  ILE  95          2HG2      ILE  95   6.244  -1.474   8.705
  730   3HG2  ILE  95          3HG2      ILE  95   7.037   0.047   8.297
  731   1HD1  ILE  95          1HD1      ILE  95   4.121  -0.386   4.739
  732   2HD1  ILE  95          2HD1      ILE  95   5.770  -0.698   4.198
  733   3HD1  ILE  95          3HD1      ILE  95   5.186   0.958   4.332
  734    H    LYS  96           H        LYS  96   9.948  -0.695   6.798
  735    HA   LYS  96           HA       LYS  96   9.793   2.155   6.213
  736   1HB   LYS  96          1HB       LYS  96  11.643   0.499   7.923
  737   2HB   LYS  96          2HB       LYS  96  11.924   2.206   7.612
  738   1HG   LYS  96          1HG       LYS  96   9.491   1.028   8.941
  739   2HG   LYS  96          2HG       LYS  96  10.822   1.856   9.752
  740   1HD   LYS  96          1HD       LYS  96   8.945   3.063   7.722
  741   2HD   LYS  96          2HD       LYS  96   8.926   3.356   9.460
  742   1HE   LYS  96          1HE       LYS  96  11.155   4.341   9.324
  743   2HE   LYS  96          2HE       LYS  96  11.199   4.022   7.590
  744   1HZ   LYS  96          1HZ       LYS  96   9.234   5.477   7.366
  745   2HZ   LYS  96          2HZ       LYS  96  10.597   6.291   7.947
  746   3HZ   LYS  96          3HZ       LYS  96   9.353   5.861   9.010
  747    H    GLN  97           H        GLN  97  12.441  -0.237   6.033
  748    HA   GLN  97           HA       GLN  97  13.975   1.241   4.227
  749   1HB   GLN  97          1HB       GLN  97  13.918  -1.721   4.811
  750   2HB   GLN  97          2HB       GLN  97  15.099  -0.978   3.744
  751   1HG   GLN  97          1HG       GLN  97  16.141  -1.237   5.843
  752   2HG   GLN  97          2HG       GLN  97  15.780   0.477   5.660
  753   1HE2  GLN  97          1HE2      GLN  97  15.618  -2.130   7.697
  754   2HE2  GLN  97          2HE2      GLN  97  14.462  -1.525   8.830
  755    H    ALA  98           H        ALA  98  11.408  -1.096   3.724
  756    HA   ALA  98           HA       ALA  98  11.762  -1.602   0.999
  757   1HB   ALA  98          1HB       ALA  98   9.499  -2.357   0.970
  758   2HB   ALA  98          2HB       ALA  98   9.099  -1.397   2.395
  759   3HB   ALA  98          3HB       ALA  98  10.178  -2.784   2.541
  760    H    ILE  99           H        ILE  99  10.403   1.136   2.673
  761    HA   ILE  99           HA       ILE  99   9.389   2.328   0.220
  762    HB   ILE  99           HB       ILE  99   9.404   3.391   3.052
  763   1HG1  ILE  99          1HG1      ILE  99   7.208   2.117   1.403
  764   2HG1  ILE  99          2HG1      ILE  99   8.007   1.399   2.797
  765   1HG2  ILE  99          1HG2      ILE  99   7.637   4.945   2.103
  766   2HG2  ILE  99          2HG2      ILE  99   8.192   4.446   0.506
  767   3HG2  ILE  99          3HG2      ILE  99   9.300   5.261   1.608
  768   1HD1  ILE  99          1HD1      ILE  99   5.692   2.971   2.758
  769   2HD1  ILE  99          2HD1      ILE  99   6.946   3.958   3.506
  770   3HD1  ILE  99          3HD1      ILE  99   6.567   2.367   4.165
  771    H    ALA 100           H        ALA 100  12.282   2.288   2.008
  772    HA   ALA 100           HA       ALA 100  13.143   4.930   1.146
  773   1HB   ALA 100          1HB       ALA 100  14.528   2.810   2.781
  774   2HB   ALA 100          2HB       ALA 100  13.760   4.280   3.378
  775   3HB   ALA 100          3HB       ALA 100  15.217   4.385   2.391
  776    H    ALA 101           H        ALA 101  14.701   1.729   1.009
  777    HA   ALA 101           HA       ALA 101  16.517   2.273  -0.988
  778   1HB   ALA 101          1HB       ALA 101  15.277  -0.185   0.083
  779   2HB   ALA 101          2HB       ALA 101  16.978   0.252  -0.083
  780   3HB   ALA 101          3HB       ALA 101  16.073  -0.322  -1.484
  781    H    ASN 102           H        ASN 102  13.101   1.613  -1.268
  782    HA   ASN 102           HA       ASN 102  13.200   1.178  -4.111
  783   1HB   ASN 102          1HB       ASN 102  10.936   1.494  -2.137
  784   2HB   ASN 102          2HB       ASN 102  10.705   1.191  -3.860
  785   1HD2  ASN 102          1HD2      ASN 102  10.319  -0.845  -4.312
  786   2HD2  ASN 102          2HD2      ASN 102  10.937  -2.217  -3.466
  787    H    ALA 103           H        ALA 103  11.875   3.680  -1.949
  788    HA   ALA 103           HA       ALA 103  11.320   5.454  -4.150
  789   1HB   ALA 103          1HB       ALA 103  10.140   5.209  -1.796
  790   2HB   ALA 103          2HB       ALA 103  10.185   6.749  -2.655
  791   3HB   ALA 103          3HB       ALA 103  11.325   6.434  -1.348
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1   0.689  11.849   2.781
    2   2H    MET   1          2H        MET   1   0.432  11.840   4.478
    3   3H    MET   1          3H        MET   1   0.232  13.293   3.585
    4    HA   MET   1           HA       MET   1  -1.841  12.202   4.234
    5   1HB   MET   1          1HB       MET   1  -1.672  13.783   2.368
    6   2HB   MET   1          2HB       MET   1  -1.213  12.476   1.285
    7   1HG   MET   1          1HG       MET   1  -3.539  13.086   0.984
    8   2HG   MET   1          2HG       MET   1  -3.392  11.439   1.595
    9   1HE   MET   1          1HE       MET   1  -3.445  14.778   4.355
   10   2HE   MET   1          2HE       MET   1  -4.903  15.200   3.455
   11   3HE   MET   1          3HE       MET   1  -3.374  14.979   2.605
   12    H    VAL   2           H        VAL   2  -3.315  10.502   3.869
   13    HA   VAL   2           HA       VAL   2  -2.282   8.113   2.520
   14    HB   VAL   2           HB       VAL   2  -1.759   7.950   4.960
   15   1HG1  VAL   2          1HG1      VAL   2  -3.577   9.131   5.943
   16   2HG1  VAL   2          2HG1      VAL   2  -3.678   7.455   6.484
   17   3HG1  VAL   2          3HG1      VAL   2  -4.757   8.040   5.218
   18   1HG2  VAL   2          1HG2      VAL   2  -2.086   5.714   4.959
   19   2HG2  VAL   2          2HG2      VAL   2  -2.543   6.021   3.284
   20   3HG2  VAL   2          3HG2      VAL   2  -3.788   5.849   4.518
   21    H    THR   3           H        THR   3  -3.841   6.939   1.465
   22    HA   THR   3           HA       THR   3  -6.648   7.412   2.073
   23    HB   THR   3           HB       THR   3  -5.471   7.978  -0.654
   24    HG1  THR   3           HG1      THR   3  -6.788   9.716   1.156
   25   1HG2  THR   3          1HG2      THR   3  -7.793   8.836  -1.130
   26   2HG2  THR   3          2HG2      THR   3  -8.315   7.928   0.291
   27   3HG2  THR   3          3HG2      THR   3  -7.597   7.084  -1.081
   28    H    GLN   4           H        GLN   4  -8.097   5.982   0.841
   29    HA   GLN   4           HA       GLN   4  -6.804   3.383   0.298
   30   1HB   GLN   4          1HB       GLN   4  -9.732   3.864   0.838
   31   2HB   GLN   4          2HB       GLN   4  -8.847   2.349   0.938
   32   1HG   GLN   4          1HG       GLN   4  -7.629   3.191   2.873
   33   2HG   GLN   4          2HG       GLN   4  -8.520   4.705   2.779
   34   1HE2  GLN   4          1HE2      GLN   4  -8.341   1.911   4.408
   35   2HE2  GLN   4          2HE2      GLN   4  -9.983   1.742   4.918
   36    H    PHE   5           H        PHE   5  -8.443   2.032  -1.203
   37    HA   PHE   5           HA       PHE   5  -9.284   3.752  -3.433
   38   1HB   PHE   5          1HB       PHE   5  -7.704   1.181  -3.651
   39   2HB   PHE   5          2HB       PHE   5  -8.465   2.004  -5.021
   40    HD1  PHE   5           HD1      PHE   5  -7.894   4.826  -4.297
   41    HD2  PHE   5           HD2      PHE   5  -5.429   1.357  -4.151
   42    HE1  PHE   5           HE1      PHE   5  -5.901   6.237  -4.602
   43    HE2  PHE   5           HE2      PHE   5  -3.434   2.766  -4.453
   44    HZ   PHE   5           HZ       PHE   5  -3.667   5.204  -4.680
   45    H    LYS   6           H        LYS   6 -11.278   3.365  -4.163
   46    HA   LYS   6           HA       LYS   6 -12.630   0.948  -3.174
   47   1HB   LYS   6          1HB       LYS   6 -13.768   3.649  -3.891
   48   2HB   LYS   6          2HB       LYS   6 -14.735   2.251  -3.442
   49   1HG   LYS   6          1HG       LYS   6 -12.695   3.625  -1.704
   50   2HG   LYS   6          2HG       LYS   6 -14.450   3.758  -1.561
   51   1HD   LYS   6          1HD       LYS   6 -14.584   1.347  -1.107
   52   2HD   LYS   6          2HD       LYS   6 -12.827   1.236  -1.224
   53   1HE   LYS   6          1HE       LYS   6 -14.367   2.877   0.784
   54   2HE   LYS   6          2HE       LYS   6 -13.563   1.341   1.104
   55   1HZ   LYS   6          1HZ       LYS   6 -11.498   2.600   0.205
   56   2HZ   LYS   6          2HZ       LYS   6 -12.002   2.846   1.802
   57   3HZ   LYS   6          3HZ       LYS   6 -12.382   3.985   0.610
   58    H    THR   7           H        THR   7 -11.666   2.584  -6.056
   59    HA   THR   7           HA       THR   7 -12.946   0.473  -7.607
   60    HB   THR   7           HB       THR   7 -13.332   3.379  -8.330
   61    HG1  THR   7           HG1      THR   7 -14.903   3.267  -6.951
   62   1HG2  THR   7          1HG2      THR   7 -15.100   2.394  -9.836
   63   2HG2  THR   7          2HG2      THR   7 -14.326   0.834  -9.560
   64   3HG2  THR   7          3HG2      THR   7 -13.423   2.146 -10.320
   65    H    ALA   8           H        ALA   8 -12.221   0.521  -9.910
   66    HA   ALA   8           HA       ALA   8  -9.367   1.005  -9.966
   67   1HB   ALA   8          1HB       ALA   8  -9.335  -0.287 -11.985
   68   2HB   ALA   8          2HB       ALA   8 -11.087  -0.171 -12.148
   69   3HB   ALA   8          3HB       ALA   8 -10.384  -1.113 -10.833
   70    H    SER   9           H        SER   9  -8.882   3.023 -10.212
   71    HA   SER   9           HA       SER   9  -8.670   4.396 -12.505
   72   1HB   SER   9          1HB       SER   9 -11.390   4.898 -11.294
   73   2HB   SER   9          2HB       SER   9 -10.575   6.135 -12.252
   74    HG   SER   9           HG       SER   9 -11.581   5.097 -13.809
   75    H    GLU  10           H        GLU  10  -9.318   4.408  -9.123
   76    HA   GLU  10           HA       GLU  10  -8.208   7.035  -8.692
   77   1HB   GLU  10          1HB       GLU  10  -9.170   4.927  -6.757
   78   2HB   GLU  10          2HB       GLU  10  -8.603   6.525  -6.286
   79   1HG   GLU  10          1HG       GLU  10 -10.421   7.545  -7.558
   80   2HG   GLU  10          2HG       GLU  10 -10.988   5.943  -8.029
   81    H    PHE  11           H        PHE  11  -7.283   3.713  -8.503
   82    HA   PHE  11           HA       PHE  11  -4.778   4.295  -7.187
   83   1HB   PHE  11          1HB       PHE  11  -6.133   2.247  -6.658
   84   2HB   PHE  11          2HB       PHE  11  -5.771   1.656  -8.273
   85    HD1  PHE  11           HD1      PHE  11  -5.046  -0.248  -6.548
   86    HD2  PHE  11           HD2      PHE  11  -2.944   3.395  -7.215
   87    HE1  PHE  11           HE1      PHE  11  -2.983  -1.279  -5.690
   88    HE2  PHE  11           HE2      PHE  11  -0.883   2.365  -6.371
   89    HZ   PHE  11           HZ       PHE  11  -0.902   0.030  -5.606
   90    H    ASP  12           H        ASP  12  -5.985   3.232 -10.327
   91    HA   ASP  12           HA       ASP  12  -3.672   2.600 -11.655
   92   1HB   ASP  12          1HB       ASP  12  -5.917   2.397 -12.639
   93   2HB   ASP  12          2HB       ASP  12  -6.019   4.150 -12.771
   94    H    SER  13           H        SER  13  -4.977   5.823 -11.023
   95    HA   SER  13           HA       SER  13  -2.946   7.172 -12.528
   96   1HB   SER  13          1HB       SER  13  -4.894   8.236 -10.469
   97   2HB   SER  13          2HB       SER  13  -3.892   9.226 -11.531
   98    HG   SER  13           HG       SER  13  -5.370   8.990 -12.988
   99    H    ALA  14           H        ALA  14  -3.294   6.064  -9.256
  100    HA   ALA  14           HA       ALA  14  -1.478   7.708  -7.931
  101   1HB   ALA  14          1HB       ALA  14  -1.557   4.836  -7.196
  102   2HB   ALA  14          2HB       ALA  14  -3.066   5.748  -7.120
  103   3HB   ALA  14          3HB       ALA  14  -1.671   6.271  -6.177
  104    H    ILE  15           H        ILE  15  -0.818   4.422  -9.166
  105    HA   ILE  15           HA       ILE  15   1.971   4.601  -8.839
  106    HB   ILE  15           HB       ILE  15   2.113   2.609 -10.265
  107   1HG1  ILE  15          1HG1      ILE  15  -0.856   3.069 -10.649
  108   2HG1  ILE  15          2HG1      ILE  15   0.383   3.111 -11.899
  109   1HG2  ILE  15          1HG2      ILE  15  -0.221   2.213  -8.439
  110   2HG2  ILE  15          2HG2      ILE  15   1.356   2.669  -7.794
  111   3HG2  ILE  15          3HG2      ILE  15   1.176   1.172  -8.711
  112   1HD1  ILE  15          1HD1      ILE  15  -1.038   1.028 -11.771
  113   2HD1  ILE  15          2HD1      ILE  15  -0.175   0.649 -10.280
  114   3HD1  ILE  15          3HD1      ILE  15   0.709   0.790 -11.800
  115    H    ALA  16           H        ALA  16  -0.038   5.000 -11.743
  116    HA   ALA  16           HA       ALA  16   1.765   5.306 -13.716
  117   1HB   ALA  16          1HB       ALA  16   0.152   7.276 -14.470
  118   2HB   ALA  16          2HB       ALA  16  -0.831   6.614 -13.163
  119   3HB   ALA  16          3HB       ALA  16  -0.342   5.583 -14.508
  120    H    GLN  17           H        GLN  17   3.750   6.144 -13.198
  121    HA   GLN  17           HA       GLN  17   5.354   7.685 -12.665
  122   1HB   GLN  17          1HB       GLN  17   3.477   9.413 -14.282
  123   2HB   GLN  17          2HB       GLN  17   5.170   9.770 -13.959
  124   1HG   GLN  17          1HG       GLN  17   5.819   7.737 -15.165
  125   2HG   GLN  17          2HG       GLN  17   4.119   7.411 -15.509
  126   1HE2  GLN  17          1HE2      GLN  17   4.527  10.702 -15.593
  127   2HE2  GLN  17          2HE2      GLN  17   4.794  10.901 -17.285
  128    H    ASP  18           H        ASP  18   5.107   7.840 -10.417
  129    HA   ASP  18           HA       ASP  18   4.517  10.434  -9.475
  130   1HB   ASP  18          1HB       ASP  18   2.199   9.432  -9.791
  131   2HB   ASP  18          2HB       ASP  18   2.597   8.332  -8.477
  132    H    LYS  19           H        LYS  19   6.729   8.708  -9.300
  133    HA   LYS  19           HA       LYS  19   8.322   8.142  -7.758
  134   1HB   LYS  19          1HB       LYS  19   6.308   9.291  -5.843
  135   2HB   LYS  19          2HB       LYS  19   7.950   8.852  -5.402
  136   1HG   LYS  19          1HG       LYS  19   8.869  10.537  -6.779
  137   2HG   LYS  19          2HG       LYS  19   7.308  10.861  -7.540
  138   1HD   LYS  19          1HD       LYS  19   6.458  11.615  -5.330
  139   2HD   LYS  19          2HD       LYS  19   8.081  11.390  -4.671
  140   1HE   LYS  19          1HE       LYS  19   7.681  13.727  -5.248
  141   2HE   LYS  19          2HE       LYS  19   8.960  13.032  -6.243
  142   1HZ   LYS  19          1HZ       LYS  19   7.291  14.426  -7.452
  143   2HZ   LYS  19          2HZ       LYS  19   6.140  13.226  -7.141
  144   3HZ   LYS  19          3HZ       LYS  19   7.502  12.868  -8.078
  145    H    LEU  20           H        LEU  20   7.739   7.132  -5.091
  146    HA   LEU  20           HA       LEU  20   6.944   4.446  -5.895
  147   1HB   LEU  20          1HB       LEU  20   9.088   4.681  -4.773
  148   2HB   LEU  20          2HB       LEU  20   8.313   5.487  -3.409
  149    HG   LEU  20           HG       LEU  20   7.007   3.317  -3.075
  150   1HD1  LEU  20          1HD1      LEU  20   8.154   1.297  -3.939
  151   2HD1  LEU  20          2HD1      LEU  20   9.136   2.340  -4.965
  152   3HD1  LEU  20          3HD1      LEU  20   7.388   2.268  -5.196
  153   1HD2  LEU  20          1HD2      LEU  20   8.866   2.274  -1.856
  154   2HD2  LEU  20          2HD2      LEU  20   8.791   4.016  -1.592
  155   3HD2  LEU  20          3HD2      LEU  20   9.996   3.340  -2.689
  156    H    VAL  21           H        VAL  21   4.886   3.972  -5.658
  157    HA   VAL  21           HA       VAL  21   3.345   5.143  -3.460
  158    HB   VAL  21           HB       VAL  21   2.375   3.606  -5.875
  159   1HG1  VAL  21          1HG1      VAL  21   0.688   3.316  -4.328
  160   2HG1  VAL  21          2HG1      VAL  21   0.188   4.805  -5.129
  161   3HG1  VAL  21          3HG1      VAL  21   0.983   4.874  -3.557
  162   1HG2  VAL  21          1HG2      VAL  21   3.384   6.168  -5.818
  163   2HG2  VAL  21          2HG2      VAL  21   1.644   6.416  -5.681
  164   3HG2  VAL  21          3HG2      VAL  21   2.300   5.508  -7.042
  165    H    VAL  22           H        VAL  22   3.240   3.973  -1.665
  166    HA   VAL  22           HA       VAL  22   3.423   1.051  -1.836
  167    HB   VAL  22           HB       VAL  22   3.584   2.812   0.615
  168   1HG1  VAL  22          1HG1      VAL  22   3.041   0.145   0.504
  169   2HG1  VAL  22          2HG1      VAL  22   3.809   0.963   1.865
  170   3HG1  VAL  22          3HG1      VAL  22   4.798   0.146   0.654
  171   1HG2  VAL  22          1HG2      VAL  22   5.769   3.127   0.264
  172   2HG2  VAL  22          2HG2      VAL  22   5.440   2.663  -1.405
  173   3HG2  VAL  22          3HG2      VAL  22   6.018   1.460  -0.251
  174    H    VAL  23           H        VAL  23   1.437   0.249  -2.225
  175    HA   VAL  23           HA       VAL  23  -0.815   1.271  -0.644
  176    HB   VAL  23           HB       VAL  23  -0.905  -0.484  -3.098
  177   1HG1  VAL  23          1HG1      VAL  23  -3.115   1.098  -1.796
  178   2HG1  VAL  23          2HG1      VAL  23  -2.845  -0.624  -1.531
  179   3HG1  VAL  23          3HG1      VAL  23  -3.254  -0.034  -3.141
  180   1HG2  VAL  23          1HG2      VAL  23  -0.213   1.432  -4.084
  181   2HG2  VAL  23          2HG2      VAL  23  -0.745   2.445  -2.741
  182   3HG2  VAL  23          3HG2      VAL  23  -1.915   1.857  -3.920
  183    H    ASP  24           H        ASP  24  -1.968   0.007   0.696
  184    HA   ASP  24           HA       ASP  24  -0.917  -2.685   1.218
  185   1HB   ASP  24          1HB       ASP  24  -0.822  -1.101   3.097
  186   2HB   ASP  24          2HB       ASP  24  -2.570  -0.848   2.975
  187    H    PHE  25           H        PHE  25  -2.160  -4.445   0.903
  188    HA   PHE  25           HA       PHE  25  -4.909  -4.063  -0.003
  189   1HB   PHE  25          1HB       PHE  25  -2.891  -6.291  -0.259
  190   2HB   PHE  25          2HB       PHE  25  -4.588  -6.524  -0.669
  191    HD1  PHE  25           HD1      PHE  25  -2.114  -3.788  -1.367
  192    HD2  PHE  25           HD2      PHE  25  -4.889  -6.629  -2.881
  193    HE1  PHE  25           HE1      PHE  25  -1.650  -3.007  -3.657
  194    HE2  PHE  25           HE2      PHE  25  -4.448  -5.849  -5.164
  195    HZ   PHE  25           HZ       PHE  25  -2.833  -4.030  -5.561
  196    H    TYR  26           H        TYR  26  -4.700  -3.656   2.652
  197    HA   TYR  26           HA       TYR  26  -4.720  -5.712   4.436
  198   1HB   TYR  26          1HB       TYR  26  -6.449  -4.289   5.714
  199   2HB   TYR  26          2HB       TYR  26  -4.864  -3.603   5.392
  200    HD1  TYR  26           HD1      TYR  26  -8.154  -3.801   3.586
  201    HD2  TYR  26           HD2      TYR  26  -4.897  -1.371   4.842
  202    HE1  TYR  26           HE1      TYR  26  -9.217  -1.842   2.554
  203    HE2  TYR  26           HE2      TYR  26  -5.957   0.584   3.842
  204    HH   TYR  26           HH       TYR  26  -9.200   0.527   2.651
  205    H    ALA  27           H        ALA  27  -5.990  -7.316   5.079
  206    HA   ALA  27           HA       ALA  27  -8.004  -8.304   3.388
  207   1HB   ALA  27          1HB       ALA  27  -6.892  -9.040   6.026
  208   2HB   ALA  27          2HB       ALA  27  -7.149 -10.026   4.586
  209   3HB   ALA  27          3HB       ALA  27  -8.503  -9.652   5.652
  210    H    THR  28           H        THR  28 -10.116  -7.894   3.263
  211    HA   THR  28           HA       THR  28 -11.292  -5.747   4.589
  212    HB   THR  28           HB       THR  28 -12.163  -6.495   2.476
  213    HG1  THR  28           HG1      THR  28 -14.114  -7.022   4.464
  214   1HG2  THR  28          1HG2      THR  28 -13.083  -9.004   3.860
  215   2HG2  THR  28          2HG2      THR  28 -11.750  -8.905   2.711
  216   3HG2  THR  28          3HG2      THR  28 -13.395  -8.545   2.186
  217    H    TRP  29           H        TRP  29 -11.088  -9.106   5.478
  218    HA   TRP  29           HA       TRP  29 -13.091  -8.780   7.568
  219   1HB   TRP  29          1HB       TRP  29 -12.535 -11.253   7.988
  220   2HB   TRP  29          2HB       TRP  29 -13.364 -10.833   6.483
  221    HD1  TRP  29           HD1      TRP  29 -11.956 -11.058   4.207
  222    HE1  TRP  29           HE1      TRP  29  -9.829 -12.391   3.638
  223    HE3  TRP  29           HE3      TRP  29 -10.319 -12.020   8.948
  224    HZ2  TRP  29           HZ2      TRP  29  -7.727 -13.669   5.021
  225    HZ3  TRP  29           HZ3      TRP  29  -8.237 -13.289   9.244
  226    HH2  TRP  29           HH2      TRP  29  -6.968 -14.105   7.317
  227    H    CYS  30           H        CYS  30  -9.589  -9.292   7.286
  228    HA   CYS  30           HA       CYS  30  -8.915  -9.962   9.854
  229   1HB   CYS  30          1HB       CYS  30  -7.298  -9.609   7.957
  230   2HB   CYS  30          2HB       CYS  30  -7.424  -7.872   8.249
  231    HG   CYS  30           HG       CYS  30  -6.339  -9.749  10.477
  232    H    GLY  31           H        GLY  31  -8.136  -8.650  11.684
  233   1HA   GLY  31          1HA       GLY  31  -9.893  -6.328  12.065
  234   2HA   GLY  31          2HA       GLY  31  -9.160  -7.279  13.345
  235    HA   PRO  32           HA       PRO  32  -5.681  -4.681  14.031
  236   1HB   PRO  32          1HB       PRO  32  -3.926  -6.565  12.510
  237   2HB   PRO  32          2HB       PRO  32  -3.675  -5.829  14.097
  238   1HG   PRO  32          1HG       PRO  32  -4.458  -8.361  13.897
  239   2HG   PRO  32          2HG       PRO  32  -5.122  -7.303  15.157
  240   1HD   PRO  32          1HD       PRO  32  -6.387  -8.289  12.651
  241   2HD   PRO  32          2HD       PRO  32  -7.127  -7.908  14.218
  242    H    CYS  33           H        CYS  33  -6.087  -5.860  10.752
  243    HA   CYS  33           HA       CYS  33  -4.354  -4.120   9.419
  244   1HB   CYS  33          1HB       CYS  33  -6.930  -5.412   8.518
  245   2HB   CYS  33          2HB       CYS  33  -5.857  -4.505   7.442
  246    HG   CYS  33           HG       CYS  33  -4.045  -6.336   7.811
  247    H    LYS  34           H        LYS  34  -7.320  -3.446  11.015
  248    HA   LYS  34           HA       LYS  34  -8.107  -1.209   9.428
  249   1HB   LYS  34          1HB       LYS  34  -8.880  -1.979  12.248
  250   2HB   LYS  34          2HB       LYS  34  -9.659  -0.721  11.298
  251   1HG   LYS  34          1HG       LYS  34  -9.567  -3.648  10.595
  252   2HG   LYS  34          2HG       LYS  34 -10.946  -2.791  11.287
  253   1HD   LYS  34          1HD       LYS  34 -11.034  -1.347   9.307
  254   2HD   LYS  34          2HD       LYS  34  -9.661  -2.215   8.616
  255   1HE   LYS  34          1HE       LYS  34 -10.974  -4.280   8.609
  256   2HE   LYS  34          2HE       LYS  34 -12.342  -3.415   9.306
  257   1HZ   LYS  34          1HZ       LYS  34 -11.250  -2.288   6.865
  258   2HZ   LYS  34          2HZ       LYS  34 -12.861  -2.477   7.344
  259   3HZ   LYS  34          3HZ       LYS  34 -12.012  -3.789   6.695
  260    H    MET  35           H        MET  35  -6.356  -1.517  12.509
  261    HA   MET  35           HA       MET  35  -6.103   1.295  12.898
  262   1HB   MET  35          1HB       MET  35  -4.502  -0.989  14.063
  263   2HB   MET  35          2HB       MET  35  -4.437   0.677  14.621
  264   1HG   MET  35          1HG       MET  35  -6.807   0.562  15.223
  265   2HG   MET  35          2HG       MET  35  -6.852  -1.116  14.687
  266   1HE   MET  35          1HE       MET  35  -7.157  -0.814  18.622
  267   2HE   MET  35          2HE       MET  35  -7.587  -2.105  17.501
  268   3HE   MET  35          3HE       MET  35  -7.998  -0.432  17.120
  269    H    ILE  36           H        ILE  36  -4.840  -0.516  10.518
  270    HA   ILE  36           HA       ILE  36  -2.131   0.378  10.477
  271    HB   ILE  36           HB       ILE  36  -3.906  -0.963   8.457
  272   1HG1  ILE  36          1HG1      ILE  36  -1.492  -1.864  10.032
  273   2HG1  ILE  36          2HG1      ILE  36  -3.161  -2.354  10.298
  274   1HG2  ILE  36          1HG2      ILE  36  -2.448   0.408   7.168
  275   2HG2  ILE  36          2HG2      ILE  36  -1.880  -1.257   7.065
  276   3HG2  ILE  36          3HG2      ILE  36  -1.047  -0.103   8.107
  277   1HD1  ILE  36          1HD1      ILE  36  -1.420  -3.004   7.945
  278   2HD1  ILE  36          2HD1      ILE  36  -3.146  -3.359   8.029
  279   3HD1  ILE  36          3HD1      ILE  36  -2.035  -4.111   9.174
  280    H    ALA  37           H        ALA  37  -5.136   1.427   8.927
  281    HA   ALA  37           HA       ALA  37  -4.269   3.157   7.015
  282   1HB   ALA  37          1HB       ALA  37  -6.669   2.608   7.920
  283   2HB   ALA  37          2HB       ALA  37  -6.356   4.109   7.047
  284   3HB   ALA  37          3HB       ALA  37  -6.449   4.115   8.809
  285    HA   PRO  38           HA       PRO  38  -3.602   6.719  10.199
  286   1HB   PRO  38          1HB       PRO  38  -3.255   6.012  12.806
  287   2HB   PRO  38          2HB       PRO  38  -4.830   6.451  12.124
  288   1HG   PRO  38          1HG       PRO  38  -3.695   3.751  12.695
  289   2HG   PRO  38          2HG       PRO  38  -5.350   4.343  12.917
  290   1HD   PRO  38          1HD       PRO  38  -4.575   2.794  10.816
  291   2HD   PRO  38          2HD       PRO  38  -5.910   3.948  10.725
  292    H    MET  39           H        MET  39  -2.152   3.576  10.798
  293    HA   MET  39           HA       MET  39   0.407   4.549  11.589
  294   1HB   MET  39          1HB       MET  39  -0.458   2.237  12.046
  295   2HB   MET  39          2HB       MET  39  -0.279   1.880  10.334
  296   1HG   MET  39          1HG       MET  39   1.591   0.995  11.559
  297   2HG   MET  39          2HG       MET  39   2.127   2.307  10.512
  298   1HE   MET  39          1HE       MET  39   1.212   1.269  14.182
  299   2HE   MET  39          2HE       MET  39   0.185   2.679  13.918
  300   3HE   MET  39          3HE       MET  39   1.522   2.764  15.065
  301    H    ILE  40           H        ILE  40  -0.889   3.251   8.542
  302    HA   ILE  40           HA       ILE  40   1.321   3.511   6.908
  303    HB   ILE  40           HB       ILE  40  -1.612   3.915   6.267
  304   1HG1  ILE  40          1HG1      ILE  40   0.273   1.592   5.811
  305   2HG1  ILE  40          2HG1      ILE  40  -0.990   1.679   7.034
  306   1HG2  ILE  40          1HG2      ILE  40  -0.268   5.083   4.592
  307   2HG2  ILE  40          2HG2      ILE  40  -1.022   3.644   3.906
  308   3HG2  ILE  40          3HG2      ILE  40   0.690   3.624   4.330
  309   1HD1  ILE  40          1HD1      ILE  40  -2.664   1.322   5.526
  310   2HD1  ILE  40          2HD1      ILE  40  -1.359   0.426   4.751
  311   3HD1  ILE  40          3HD1      ILE  40  -1.766   2.049   4.194
  312    H    GLU  41           H        GLU  41  -0.792   5.953   8.185
  313    HA   GLU  41           HA       GLU  41   0.042   8.058   6.434
  314   1HB   GLU  41          1HB       GLU  41  -2.139   8.114   7.516
  315   2HB   GLU  41          2HB       GLU  41  -1.381   8.109   9.102
  316   1HG   GLU  41          1HG       GLU  41  -0.386  10.293   8.624
  317   2HG   GLU  41          2HG       GLU  41  -1.157  10.294   7.039
  318    H    LYS  42           H        LYS  42   0.989   6.876   9.597
  319    HA   LYS  42           HA       LYS  42   2.595   9.034  10.390
  320   1HB   LYS  42          1HB       LYS  42   2.724   6.102  11.096
  321   2HB   LYS  42          2HB       LYS  42   3.692   7.339  11.889
  322   1HG   LYS  42          1HG       LYS  42   1.661   8.450  12.650
  323   2HG   LYS  42          2HG       LYS  42   0.682   7.228  11.836
  324   1HD   LYS  42          1HD       LYS  42   0.867   6.745  14.219
  325   2HD   LYS  42          2HD       LYS  42   1.666   5.496  13.262
  326   1HE   LYS  42          1HE       LYS  42   3.010   6.109  15.201
  327   2HE   LYS  42          2HE       LYS  42   3.831   6.537  13.700
  328   1HZ   LYS  42          1HZ       LYS  42   3.873   8.660  14.295
  329   2HZ   LYS  42          2HZ       LYS  42   3.336   8.194  15.830
  330   3HZ   LYS  42          3HZ       LYS  42   2.220   8.683  14.657
  331    H    PHE  43           H        PHE  43   3.137   6.595   8.020
  332    HA   PHE  43           HA       PHE  43   6.019   6.949   8.064
  333   1HB   PHE  43          1HB       PHE  43   4.222   5.219   6.368
  334   2HB   PHE  43          2HB       PHE  43   5.969   5.304   6.158
  335    HD1  PHE  43           HD1      PHE  43   3.589   4.908   9.008
  336    HD2  PHE  43           HD2      PHE  43   7.123   3.551   7.060
  337    HE1  PHE  43           HE1      PHE  43   3.875   3.178  10.735
  338    HE2  PHE  43           HE2      PHE  43   7.412   1.818   8.781
  339    HZ   PHE  43           HZ       PHE  43   5.787   1.629  10.622
  340    H    SER  44           H        SER  44   3.283   8.131   6.326
  341    HA   SER  44           HA       SER  44   4.518   8.900   3.941
  342   1HB   SER  44          1HB       SER  44   2.185  10.149   5.413
  343   2HB   SER  44          2HB       SER  44   2.608  10.440   3.724
  344    HG   SER  44           HG       SER  44   1.065   8.556   4.629
  345    H    GLU  45           H        GLU  45   4.995  10.072   7.096
  346    HA   GLU  45           HA       GLU  45   5.703  12.762   6.294
  347   1HB   GLU  45          1HB       GLU  45   4.660  12.399   8.471
  348   2HB   GLU  45          2HB       GLU  45   5.978  11.335   8.946
  349   1HG   GLU  45          1HG       GLU  45   6.225  13.518   9.957
  350   2HG   GLU  45          2HG       GLU  45   7.538  13.207   8.824
  351    H    GLN  46           H        GLN  46   7.280   9.713   6.782
  352    HA   GLN  46           HA       GLN  46   9.922  10.919   6.898
  353   1HB   GLN  46          1HB       GLN  46   9.056   8.027   6.925
  354   2HB   GLN  46          2HB       GLN  46  10.717   8.584   7.105
  355   1HG   GLN  46          1HG       GLN  46  10.097   9.789   9.128
  356   2HG   GLN  46          2HG       GLN  46   8.434   9.235   8.949
  357   1HE2  GLN  46          1HE2      GLN  46   7.939   7.620  10.230
  358   2HE2  GLN  46          2HE2      GLN  46   9.018   6.356  10.758
  359    H    TYR  47           H        TYR  47   7.867   9.263   4.592
  360    HA   TYR  47           HA       TYR  47  10.003   9.591   2.586
  361   1HB   TYR  47          1HB       TYR  47   7.916   7.412   2.728
  362   2HB   TYR  47          2HB       TYR  47   9.080   7.619   1.422
  363    HD1  TYR  47           HD1      TYR  47  11.587   7.566   2.092
  364    HD2  TYR  47           HD2      TYR  47   8.450   6.097   4.556
  365    HE1  TYR  47           HE1      TYR  47  13.213   6.200   3.332
  366    HE2  TYR  47           HE2      TYR  47  10.066   4.711   5.799
  367    HH   TYR  47           HH       TYR  47  12.421   4.613   6.271
  368    HA   PRO  48           HA       PRO  48   5.896  12.129   1.910
  369   1HB   PRO  48          1HB       PRO  48   8.200  13.867   1.133
  370   2HB   PRO  48          2HB       PRO  48   6.640  14.323   1.829
  371   1HG   PRO  48          1HG       PRO  48   8.870  14.131   3.328
  372   2HG   PRO  48          2HG       PRO  48   7.266  13.729   3.962
  373   1HD   PRO  48          1HD       PRO  48   9.523  11.952   3.354
  374   2HD   PRO  48          2HD       PRO  48   8.077  11.644   4.337
  375    H    GLN  49           H        GLN  49   8.810  11.501   0.046
  376    HA   GLN  49           HA       GLN  49   7.756  12.236  -2.477
  377   1HB   GLN  49          1HB       GLN  49   9.975  10.270  -1.872
  378   2HB   GLN  49          2HB       GLN  49   9.640  10.994  -3.443
  379   1HG   GLN  49          1HG       GLN  49  10.482  12.474  -0.956
  380   2HG   GLN  49          2HG       GLN  49  11.513  12.082  -2.332
  381   1HE2  GLN  49          1HE2      GLN  49  11.842  13.727  -3.628
  382   2HE2  GLN  49          2HE2      GLN  49  10.730  15.003  -3.969
  383    H    ALA  50           H        ALA  50   7.601   9.306  -0.595
  384    HA   ALA  50           HA       ALA  50   6.459   7.794  -2.800
  385   1HB   ALA  50          1HB       ALA  50   6.273   6.445  -0.271
  386   2HB   ALA  50          2HB       ALA  50   7.888   7.123  -0.476
  387   3HB   ALA  50          3HB       ALA  50   7.232   6.027  -1.692
  388    H    ASP  51           H        ASP  51   4.335   7.260  -3.009
  389    HA   ASP  51           HA       ASP  51   2.463   8.762  -1.370
  390   1HB   ASP  51          1HB       ASP  51   1.997   7.063  -3.833
  391   2HB   ASP  51          2HB       ASP  51   0.783   8.057  -3.033
  392    H    PHE  52           H        PHE  52   1.473   7.911   0.312
  393    HA   PHE  52           HA       PHE  52   1.505   5.011   0.650
  394   1HB   PHE  52          1HB       PHE  52   0.977   7.253   2.604
  395   2HB   PHE  52          2HB       PHE  52   0.853   5.535   3.013
  396    HD1  PHE  52           HD1      PHE  52   3.294   7.824   1.341
  397    HD2  PHE  52           HD2      PHE  52   2.655   4.621   4.070
  398    HE1  PHE  52           HE1      PHE  52   5.705   7.761   1.827
  399    HE2  PHE  52           HE2      PHE  52   5.064   4.553   4.560
  400    HZ   PHE  52           HZ       PHE  52   6.592   6.125   3.440
  401    H    TYR  53           H        TYR  53  -0.181   4.573  -0.838
  402    HA   TYR  53           HA       TYR  53  -2.855   5.487  -0.071
  403   1HB   TYR  53          1HB       TYR  53  -1.740   4.163  -2.534
  404   2HB   TYR  53          2HB       TYR  53  -3.473   4.174  -2.221
  405    HD1  TYR  53           HD1      TYR  53  -4.485   6.549  -1.697
  406    HD2  TYR  53           HD2      TYR  53  -0.818   5.902  -3.753
  407    HE1  TYR  53           HE1      TYR  53  -4.661   8.784  -2.701
  408    HE2  TYR  53           HE2      TYR  53  -0.982   8.139  -4.761
  409    HH   TYR  53           HH       TYR  53  -3.201  10.481  -3.684
  410    H    LYS  54           H        LYS  54  -4.519   3.521  -0.627
  411    HA   LYS  54           HA       LYS  54  -3.516   1.051   0.524
  412   1HB   LYS  54          1HB       LYS  54  -5.831   2.536   1.767
  413   2HB   LYS  54          2HB       LYS  54  -5.217   0.963   2.257
  414   1HG   LYS  54          1HG       LYS  54  -2.995   2.147   2.664
  415   2HG   LYS  54          2HG       LYS  54  -3.912   3.647   2.541
  416   1HD   LYS  54          1HD       LYS  54  -4.362   1.412   4.519
  417   2HD   LYS  54          2HD       LYS  54  -3.679   3.000   4.865
  418   1HE   LYS  54          1HE       LYS  54  -6.478   2.450   3.896
  419   2HE   LYS  54          2HE       LYS  54  -6.021   2.851   5.547
  420   1HZ   LYS  54          1HZ       LYS  54  -6.884   4.713   4.054
  421   2HZ   LYS  54          2HZ       LYS  54  -5.366   4.664   3.311
  422   3HZ   LYS  54          3HZ       LYS  54  -5.489   5.017   4.960
  423    H    LEU  55           H        LEU  55  -4.559  -0.740  -0.123
  424    HA   LEU  55           HA       LEU  55  -6.663  -0.363  -2.128
  425   1HB   LEU  55          1HB       LEU  55  -4.465  -1.557  -2.634
  426   2HB   LEU  55          2HB       LEU  55  -5.051  -2.853  -1.613
  427    HG   LEU  55           HG       LEU  55  -5.394  -3.321  -4.000
  428   1HD1  LEU  55          1HD1      LEU  55  -7.344  -4.392  -3.646
  429   2HD1  LEU  55          2HD1      LEU  55  -8.161  -2.940  -3.063
  430   3HD1  LEU  55          3HD1      LEU  55  -7.092  -3.843  -1.988
  431   1HD2  LEU  55          1HD2      LEU  55  -6.803  -2.040  -5.377
  432   2HD2  LEU  55          2HD2      LEU  55  -5.754  -0.874  -4.571
  433   3HD2  LEU  55          3HD2      LEU  55  -7.413  -1.098  -4.016
  434    H    ASP  56           H        ASP  56  -8.652  -1.225  -1.915
  435    HA   ASP  56           HA       ASP  56  -9.340  -2.374   0.664
  436   1HB   ASP  56          1HB       ASP  56 -10.696  -0.544  -0.415
  437   2HB   ASP  56          2HB       ASP  56 -11.183  -1.715  -1.642
  438    H    VAL  57           H        VAL  57  -9.699  -4.482   1.015
  439    HA   VAL  57           HA       VAL  57  -9.345  -6.317  -1.187
  440    HB   VAL  57           HB       VAL  57  -9.496  -6.700   1.798
  441   1HG1  VAL  57          1HG1      VAL  57 -10.612  -8.633   0.859
  442   2HG1  VAL  57          2HG1      VAL  57  -8.992  -9.099   1.379
  443   3HG1  VAL  57          3HG1      VAL  57  -9.328  -8.839  -0.334
  444   1HG2  VAL  57          1HG2      VAL  57  -7.332  -7.201  -0.252
  445   2HG2  VAL  57          2HG2      VAL  57  -7.191  -7.459   1.488
  446   3HG2  VAL  57          3HG2      VAL  57  -7.416  -5.829   0.854
  447    H    ASP  58           H        ASP  58 -12.058  -4.906   0.281
  448    HA   ASP  58           HA       ASP  58 -13.741  -7.191  -0.485
  449   1HB   ASP  58          1HB       ASP  58 -15.553  -6.029   0.788
  450   2HB   ASP  58          2HB       ASP  58 -14.190  -6.541   1.766
  451    H    GLU  59           H        GLU  59 -13.365  -3.706  -0.933
  452    HA   GLU  59           HA       GLU  59 -15.557  -3.520  -2.773
  453   1HB   GLU  59          1HB       GLU  59 -14.734  -1.625  -1.334
  454   2HB   GLU  59          2HB       GLU  59 -13.311  -1.539  -2.365
  455   1HG   GLU  59          1HG       GLU  59 -14.866   0.135  -3.058
  456   2HG   GLU  59          2HG       GLU  59 -14.796  -1.117  -4.297
  457    H    LEU  60           H        LEU  60 -12.114  -4.045  -2.978
  458    HA   LEU  60           HA       LEU  60 -12.380  -4.319  -5.899
  459   1HB   LEU  60          1HB       LEU  60  -9.991  -3.286  -4.367
  460   2HB   LEU  60          2HB       LEU  60 -10.003  -3.633  -6.083
  461    HG   LEU  60           HG       LEU  60 -11.750  -1.888  -6.382
  462   1HD1  LEU  60          1HD1      LEU  60 -12.871  -1.291  -4.550
  463   2HD1  LEU  60          2HD1      LEU  60 -11.472  -0.293  -4.163
  464   3HD1  LEU  60          3HD1      LEU  60 -11.619  -1.909  -3.477
  465   1HD2  LEU  60          1HD2      LEU  60 -10.239  -0.080  -6.357
  466   2HD2  LEU  60          2HD2      LEU  60  -9.252  -1.521  -6.610
  467   3HD2  LEU  60          3HD2      LEU  60  -9.319  -0.767  -5.018
  468    H    GLY  61           H        GLY  61 -12.848  -6.432  -4.171
  469   1HA   GLY  61          1HA       GLY  61 -10.767  -8.051  -3.400
  470   2HA   GLY  61          2HA       GLY  61 -12.295  -8.662  -4.017
  471    H    ASP  62           H        ASP  62 -11.814  -7.340  -6.641
  472    HA   ASP  62           HA       ASP  62 -10.645  -9.502  -7.978
  473   1HB   ASP  62          1HB       ASP  62 -11.117  -6.714  -8.939
  474   2HB   ASP  62          2HB       ASP  62 -10.736  -8.074  -9.977
  475    H    VAL  63           H        VAL  63  -9.260  -6.639  -6.607
  476    HA   VAL  63           HA       VAL  63  -6.801  -6.828  -8.106
  477    HB   VAL  63           HB       VAL  63  -7.247  -5.203  -5.601
  478   1HG1  VAL  63          1HG1      VAL  63  -4.976  -5.620  -7.053
  479   2HG1  VAL  63          2HG1      VAL  63  -5.293  -4.203  -6.049
  480   3HG1  VAL  63          3HG1      VAL  63  -5.609  -4.145  -7.782
  481   1HG2  VAL  63          1HG2      VAL  63  -8.082  -3.406  -6.911
  482   2HG2  VAL  63          2HG2      VAL  63  -9.030  -4.829  -7.343
  483   3HG2  VAL  63          3HG2      VAL  63  -7.750  -4.262  -8.417
  484    H    ALA  64           H        ALA  64  -7.650  -7.254  -4.645
  485    HA   ALA  64           HA       ALA  64  -5.213  -8.218  -3.709
  486   1HB   ALA  64          1HB       ALA  64  -6.905  -7.765  -2.124
  487   2HB   ALA  64          2HB       ALA  64  -6.638  -9.506  -2.047
  488   3HB   ALA  64          3HB       ALA  64  -8.041  -8.868  -2.902
  489    H    GLN  65           H        GLN  65  -7.598  -9.751  -5.726
  490    HA   GLN  65           HA       GLN  65  -6.402 -12.380  -5.417
  491   1HB   GLN  65          1HB       GLN  65  -8.820 -11.338  -6.857
  492   2HB   GLN  65          2HB       GLN  65  -8.183 -12.936  -7.219
  493   1HG   GLN  65          1HG       GLN  65  -9.999 -13.050  -5.614
  494   2HG   GLN  65          2HG       GLN  65  -8.486 -13.603  -4.904
  495   1HE2  GLN  65          1HE2      GLN  65 -11.169 -11.812  -4.360
  496   2HE2  GLN  65          2HE2      GLN  65 -10.583 -10.773  -3.109
  497    H    LYS  66           H        LYS  66  -6.617  -9.809  -7.860
  498    HA   LYS  66           HA       LYS  66  -5.534 -11.262 -10.001
  499   1HB   LYS  66          1HB       LYS  66  -5.266  -9.238 -11.129
  500   2HB   LYS  66          2HB       LYS  66  -6.578  -8.896 -10.016
  501   1HG   LYS  66          1HG       LYS  66  -5.068  -7.727  -8.537
  502   2HG   LYS  66          2HG       LYS  66  -3.697  -8.146  -9.563
  503   1HD   LYS  66          1HD       LYS  66  -4.789  -6.903 -11.421
  504   2HD   LYS  66          2HD       LYS  66  -6.042  -6.392 -10.289
  505   1HE   LYS  66          1HE       LYS  66  -4.332  -5.307  -8.906
  506   2HE   LYS  66          2HE       LYS  66  -3.093  -5.799 -10.058
  507   1HZ   LYS  66          1HZ       LYS  66  -4.762  -3.534 -10.133
  508   2HZ   LYS  66          2HZ       LYS  66  -5.075  -4.484 -11.498
  509   3HZ   LYS  66          3HZ       LYS  66  -3.501  -3.953 -11.180
  510    H    ASN  67           H        ASN  67  -3.930  -9.255  -7.547
  511    HA   ASN  67           HA       ASN  67  -1.307  -9.906  -8.483
  512   1HB   ASN  67          1HB       ASN  67  -2.313  -8.538  -5.979
  513   2HB   ASN  67          2HB       ASN  67  -0.614  -8.688  -6.426
  514   1HD2  ASN  67          1HD2      ASN  67  -3.133  -6.648  -6.429
  515   2HD2  ASN  67          2HD2      ASN  67  -2.700  -5.626  -7.773
  516    H    GLU  68           H        GLU  68  -3.596 -11.610  -6.790
  517    HA   GLU  68           HA       GLU  68  -3.569 -13.570  -5.656
  518   1HB   GLU  68          1HB       GLU  68  -0.612 -13.577  -6.287
  519   2HB   GLU  68          2HB       GLU  68  -1.537 -14.947  -5.692
  520   1HG   GLU  68          1HG       GLU  68  -2.880 -14.937  -7.723
  521   2HG   GLU  68          2HG       GLU  68  -1.976 -13.547  -8.319
  522    H    VAL  69           H        VAL  69  -3.450 -11.196  -4.176
  523    HA   VAL  69           HA       VAL  69  -1.682 -11.954  -1.941
  524    HB   VAL  69           HB       VAL  69  -2.893  -9.241  -2.483
  525   1HG1  VAL  69          1HG1      VAL  69  -0.678  -9.954  -0.570
  526   2HG1  VAL  69          2HG1      VAL  69  -2.377  -9.880  -0.096
  527   3HG1  VAL  69          3HG1      VAL  69  -1.569  -8.436  -0.700
  528   1HG2  VAL  69          1HG2      VAL  69  -0.242  -8.868  -2.762
  529   2HG2  VAL  69          2HG2      VAL  69  -1.326  -9.206  -4.111
  530   3HG2  VAL  69          3HG2      VAL  69  -0.387 -10.511  -3.386
  531    H    SER  70           H        SER  70  -2.974 -13.305  -0.775
  532    HA   SER  70           HA       SER  70  -5.584 -12.248   0.094
  533   1HB   SER  70          1HB       SER  70  -6.226 -14.583   0.551
  534   2HB   SER  70          2HB       SER  70  -5.751 -14.365  -1.143
  535    HG   SER  70           HG       SER  70  -3.742 -15.274  -0.638
  536    H    ALA  71           H        ALA  71  -2.944 -11.626   1.240
  537    HA   ALA  71           HA       ALA  71  -2.720 -13.052   3.716
  538   1HB   ALA  71          1HB       ALA  71  -0.752 -12.011   3.914
  539   2HB   ALA  71          2HB       ALA  71  -1.448 -10.423   3.590
  540   3HB   ALA  71          3HB       ALA  71  -1.028 -11.491   2.252
  541    H    MET  72           H        MET  72  -2.196 -10.658   5.372
  542    HA   MET  72           HA       MET  72  -4.535  -9.076   5.524
  543   1HB   MET  72          1HB       MET  72  -5.466 -10.065   7.615
  544   2HB   MET  72          2HB       MET  72  -5.655 -11.084   6.194
  545   1HG   MET  72          1HG       MET  72  -3.928 -12.539   6.895
  546   2HG   MET  72          2HG       MET  72  -3.409 -11.431   8.160
  547   1HE   MET  72          1HE       MET  72  -4.389 -13.945  10.531
  548   2HE   MET  72          2HE       MET  72  -3.234 -13.619   9.240
  549   3HE   MET  72          3HE       MET  72  -4.483 -14.844   9.019
  550    HA   PRO  73           HA       PRO  73  -3.534  -7.529   4.870
  551   1HB   PRO  73          1HB       PRO  73  -2.321  -5.218   4.831
  552   2HB   PRO  73          2HB       PRO  73  -3.545  -5.488   6.087
  553   1HG   PRO  73          1HG       PRO  73  -0.558  -5.711   6.286
  554   2HG   PRO  73          2HG       PRO  73  -1.678  -4.867   7.362
  555   1HD   PRO  73          1HD       PRO  73  -0.731  -7.447   7.766
  556   2HD   PRO  73          2HD       PRO  73  -2.205  -6.769   8.501
  557    H    THR  74           H        THR  74  -1.722  -6.026   3.346
  558    HA   THR  74           HA       THR  74   0.784  -7.468   3.127
  559    HB   THR  74           HB       THR  74  -1.209  -7.433   0.853
  560    HG1  THR  74           HG1      THR  74  -0.114  -9.719   2.082
  561   1HG2  THR  74          1HG2      THR  74   0.450  -7.816  -0.550
  562   2HG2  THR  74          2HG2      THR  74   0.952  -9.213   0.401
  563   3HG2  THR  74          3HG2      THR  74   1.608  -7.620   0.762
  564    H    LEU  75           H        LEU  75   2.368  -6.294   1.955
  565    HA   LEU  75           HA       LEU  75   1.545  -3.537   1.330
  566   1HB   LEU  75          1HB       LEU  75   4.264  -4.599   2.071
  567   2HB   LEU  75          2HB       LEU  75   3.883  -2.921   1.740
  568    HG   LEU  75           HG       LEU  75   2.795  -4.550   4.035
  569   1HD1  LEU  75          1HD1      LEU  75   5.119  -2.765   3.714
  570   2HD1  LEU  75          2HD1      LEU  75   4.873  -4.128   4.803
  571   3HD1  LEU  75          3HD1      LEU  75   4.158  -2.561   5.179
  572   1HD2  LEU  75          1HD2      LEU  75   2.268  -2.007   4.681
  573   2HD2  LEU  75          2HD2      LEU  75   1.123  -3.039   3.824
  574   3HD2  LEU  75          3HD2      LEU  75   2.124  -1.894   2.928
  575    H    LEU  76           H        LEU  76   1.560  -2.933  -0.712
  576    HA   LEU  76           HA       LEU  76   3.321  -4.352  -2.599
  577   1HB   LEU  76          1HB       LEU  76   0.559  -3.224  -3.085
  578   2HB   LEU  76          2HB       LEU  76   1.613  -3.855  -4.348
  579    HG   LEU  76           HG       LEU  76   0.271  -5.377  -2.121
  580   1HD1  LEU  76          1HD1      LEU  76  -1.169  -6.029  -3.678
  581   2HD1  LEU  76          2HD1      LEU  76   0.129  -6.470  -4.787
  582   3HD1  LEU  76          3HD1      LEU  76  -0.465  -4.811  -4.742
  583   1HD2  LEU  76          1HD2      LEU  76   1.464  -7.368  -3.222
  584   2HD2  LEU  76          2HD2      LEU  76   2.383  -6.360  -2.104
  585   3HD2  LEU  76          3HD2      LEU  76   2.592  -6.166  -3.844
  586    H    LEU  77           H        LEU  77   4.775  -3.122  -3.602
  587    HA   LEU  77           HA       LEU  77   4.412  -0.202  -3.515
  588   1HB   LEU  77          1HB       LEU  77   6.955  -1.815  -3.725
  589   2HB   LEU  77          2HB       LEU  77   6.864  -0.065  -3.718
  590    HG   LEU  77           HG       LEU  77   5.903  -0.159  -1.428
  591   1HD1  LEU  77          1HD1      LEU  77   6.201  -3.078  -1.923
  592   2HD1  LEU  77          2HD1      LEU  77   4.918  -2.194  -1.093
  593   3HD1  LEU  77          3HD1      LEU  77   6.469  -2.460  -0.293
  594   1HD2  LEU  77          1HD2      LEU  77   8.514  -1.636  -1.507
  595   2HD2  LEU  77          2HD2      LEU  77   7.964  -0.423  -0.351
  596   3HD2  LEU  77          3HD2      LEU  77   8.383   0.054  -1.997
  597    H    PHE  78           H        PHE  78   4.856   1.047  -5.343
  598    HA   PHE  78           HA       PHE  78   5.431  -0.313  -7.870
  599   1HB   PHE  78          1HB       PHE  78   2.976   1.420  -7.496
  600   2HB   PHE  78          2HB       PHE  78   3.435   0.544  -8.946
  601    HD1  PHE  78           HD1      PHE  78   3.594  -2.051  -8.712
  602    HD2  PHE  78           HD2      PHE  78   1.506   0.479  -6.003
  603    HE1  PHE  78           HE1      PHE  78   2.263  -3.975  -7.945
  604    HE2  PHE  78           HE2      PHE  78   0.174  -1.440  -5.232
  605    HZ   PHE  78           HZ       PHE  78   0.544  -3.664  -6.203
  606    H    LYS  79           H        LYS  79   6.819   0.951  -9.078
  607    HA   LYS  79           HA       LYS  79   6.779   3.853  -8.487
  608   1HB   LYS  79          1HB       LYS  79   9.119   2.108  -9.242
  609   2HB   LYS  79          2HB       LYS  79   9.173   3.863  -9.296
  610   1HG   LYS  79          1HG       LYS  79   8.558   3.870  -6.869
  611   2HG   LYS  79          2HG       LYS  79   8.778   2.121  -6.876
  612   1HD   LYS  79          1HD       LYS  79  10.797   3.180  -6.078
  613   2HD   LYS  79          2HD       LYS  79  11.105   2.460  -7.659
  614   1HE   LYS  79          1HE       LYS  79  10.844   4.642  -8.715
  615   2HE   LYS  79          2HE       LYS  79  10.495   5.369  -7.147
  616   1HZ   LYS  79          1HZ       LYS  79  12.694   4.913  -6.415
  617   2HZ   LYS  79          2HZ       LYS  79  12.823   5.649  -7.933
  618   3HZ   LYS  79          3HZ       LYS  79  13.037   3.979  -7.783
  619    H    ASN  80           H        ASN  80   6.735   5.320 -10.137
  620    HA   ASN  80           HA       ASN  80   6.114   6.094 -12.187
  621   1HB   ASN  80          1HB       ASN  80   8.153   4.036 -13.042
  622   2HB   ASN  80          2HB       ASN  80   7.546   5.335 -14.062
  623   1HD2  ASN  80          1HD2      ASN  80   8.820   7.021 -14.177
  624   2HD2  ASN  80          2HD2      ASN  80   9.910   7.569 -12.954
  625    H    GLY  81           H        GLY  81   4.149   4.520 -11.371
  626   1HA   GLY  81          1HA       GLY  81   2.357   3.280 -12.059
  627   2HA   GLY  81          2HA       GLY  81   2.825   3.738 -13.693
  628    H    LYS  82           H        LYS  82   5.143   2.019 -11.841
  629    HA   LYS  82           HA       LYS  82   4.459  -0.483 -13.236
  630   1HB   LYS  82          1HB       LYS  82   7.219   0.633 -12.693
  631   2HB   LYS  82          2HB       LYS  82   6.884  -0.931 -13.417
  632   1HG   LYS  82          1HG       LYS  82   5.811   0.166 -15.313
  633   2HG   LYS  82          2HG       LYS  82   6.156   1.738 -14.595
  634   1HD   LYS  82          1HD       LYS  82   7.805   1.195 -16.301
  635   2HD   LYS  82          2HD       LYS  82   8.558   1.258 -14.706
  636   1HE   LYS  82          1HE       LYS  82   8.471  -1.178 -14.562
  637   2HE   LYS  82          2HE       LYS  82   7.691  -1.250 -16.142
  638   1HZ   LYS  82          1HZ       LYS  82  10.297   0.089 -15.859
  639   2HZ   LYS  82          2HZ       LYS  82   9.618  -0.652 -17.219
  640   3HZ   LYS  82          3HZ       LYS  82  10.228  -1.599 -15.958
  641    H    GLU  83           H        GLU  83   6.616  -1.899 -11.939
  642    HA   GLU  83           HA       GLU  83   5.463  -2.096  -9.241
  643   1HB   GLU  83          1HB       GLU  83   5.190  -4.069 -10.718
  644   2HB   GLU  83          2HB       GLU  83   6.931  -4.166 -10.903
  645   1HG   GLU  83          1HG       GLU  83   7.220  -4.798  -8.637
  646   2HG   GLU  83          2HG       GLU  83   5.537  -4.436  -8.254
  647    H    VAL  84           H        VAL  84   7.238  -3.203  -7.709
  648    HA   VAL  84           HA       VAL  84   9.954  -2.487  -8.162
  649    HB   VAL  84           HB       VAL  84  10.077  -0.915  -6.165
  650   1HG1  VAL  84          1HG1      VAL  84  10.144   0.855  -7.573
  651   2HG1  VAL  84          2HG1      VAL  84   8.594   0.472  -8.318
  652   3HG1  VAL  84          3HG1      VAL  84  10.042  -0.425  -8.776
  653   1HG2  VAL  84          1HG2      VAL  84   7.691   0.423  -6.344
  654   2HG2  VAL  84          2HG2      VAL  84   8.161  -0.672  -5.044
  655   3HG2  VAL  84          3HG2      VAL  84   7.192  -1.267  -6.390
  656    H    ALA  85           H        ALA  85   7.518  -3.071  -5.622
  657    HA   ALA  85           HA       ALA  85   8.936  -5.396  -4.730
  658   1HB   ALA  85          1HB       ALA  85  10.163  -3.372  -3.725
  659   2HB   ALA  85          2HB       ALA  85   9.730  -4.706  -2.657
  660   3HB   ALA  85          3HB       ALA  85   8.759  -3.233  -2.667
  661    H    LYS  86           H        LYS  86   7.933  -6.183  -2.573
  662    HA   LYS  86           HA       LYS  86   5.313  -5.354  -1.892
  663   1HB   LYS  86          1HB       LYS  86   4.112  -7.373  -2.716
  664   2HB   LYS  86          2HB       LYS  86   4.665  -6.310  -4.003
  665   1HG   LYS  86          1HG       LYS  86   6.575  -7.796  -4.396
  666   2HG   LYS  86          2HG       LYS  86   5.991  -8.867  -3.121
  667   1HD   LYS  86          1HD       LYS  86   4.503  -8.165  -5.650
  668   2HD   LYS  86          2HD       LYS  86   5.355  -9.680  -5.343
  669   1HE   LYS  86          1HE       LYS  86   2.994  -8.622  -3.790
  670   2HE   LYS  86          2HE       LYS  86   2.953  -9.926  -4.976
  671   1HZ   LYS  86          1HZ       LYS  86   3.203 -11.196  -3.157
  672   2HZ   LYS  86          2HZ       LYS  86   3.870  -9.952  -2.225
  673   3HZ   LYS  86          3HZ       LYS  86   4.842 -10.805  -3.314
  674    H    VAL  87           H        VAL  87   5.325  -5.768   0.220
  675    HA   VAL  87           HA       VAL  87   6.434  -8.347   1.115
  676    HB   VAL  87           HB       VAL  87   7.923  -6.535   1.773
  677   1HG1  VAL  87          1HG1      VAL  87   7.303  -4.749   3.203
  678   2HG1  VAL  87          2HG1      VAL  87   5.689  -5.415   3.440
  679   3HG1  VAL  87          3HG1      VAL  87   6.154  -4.771   1.866
  680   1HG2  VAL  87          1HG2      VAL  87   7.312  -6.913   4.430
  681   2HG2  VAL  87          2HG2      VAL  87   8.297  -7.981   3.430
  682   3HG2  VAL  87          3HG2      VAL  87   6.577  -8.308   3.642
  683    H    VAL  88           H        VAL  88   4.706  -9.552   1.518
  684    HA   VAL  88           HA       VAL  88   2.199  -8.647   2.373
  685    HB   VAL  88           HB       VAL  88   2.269 -10.785   1.375
  686   1HG1  VAL  88          1HG1      VAL  88   4.054 -12.100   1.555
  687   2HG1  VAL  88          2HG1      VAL  88   3.654 -12.428   3.240
  688   3HG1  VAL  88          3HG1      VAL  88   4.697 -11.067   2.831
  689   1HG2  VAL  88          1HG2      VAL  88   0.920 -11.981   2.774
  690   2HG2  VAL  88          2HG2      VAL  88   0.880 -10.419   3.593
  691   3HG2  VAL  88          3HG2      VAL  88   1.937 -11.700   4.185
  692    H    GLY  89           H        GLY  89   2.495  -7.215   4.095
  693   1HA   GLY  89          1HA       GLY  89   2.006  -8.013   6.624
  694   2HA   GLY  89          2HA       GLY  89   3.759  -8.109   6.538
  695    H    ALA  90           H        ALA  90   4.579  -6.422   7.572
  696    HA   ALA  90           HA       ALA  90   4.749  -3.873   6.760
  697   1HB   ALA  90          1HB       ALA  90   3.001  -2.766   8.397
  698   2HB   ALA  90          2HB       ALA  90   2.123  -4.269   8.115
  699   3HB   ALA  90          3HB       ALA  90   2.548  -3.227   6.756
  700    H    ASN  91           H        ASN  91   6.169  -5.756   8.303
  701    HA   ASN  91           HA       ASN  91   6.210  -5.059  11.034
  702   1HB   ASN  91          1HB       ASN  91   8.253  -6.392  11.056
  703   2HB   ASN  91          2HB       ASN  91   6.983  -7.221  10.187
  704   1HD2  ASN  91          1HD2      ASN  91   7.620  -8.153   8.395
  705   2HD2  ASN  91          2HD2      ASN  91   8.925  -7.643   7.385
  706    HA   PRO  92           HA       PRO  92   8.349  -1.188  11.047
  707   1HB   PRO  92          1HB       PRO  92   9.830  -2.456  13.314
  708   2HB   PRO  92          2HB       PRO  92   9.076  -0.859  13.216
  709   1HG   PRO  92          1HG       PRO  92   7.846  -2.789  14.529
  710   2HG   PRO  92          2HG       PRO  92   6.923  -1.723  13.449
  711   1HD   PRO  92          1HD       PRO  92   7.832  -4.537  13.004
  712   2HD   PRO  92          2HD       PRO  92   6.305  -3.757  12.538
  713    H    ALA  93           H        ALA  93   9.999  -4.236  10.807
  714    HA   ALA  93           HA       ALA  93  12.510  -2.907  10.104
  715   1HB   ALA  93          1HB       ALA  93  13.607  -4.752  10.784
  716   2HB   ALA  93          2HB       ALA  93  12.395  -5.850  10.125
  717   3HB   ALA  93          3HB       ALA  93  12.113  -5.052  11.672
  718    H    ALA  94           H        ALA  94  10.021  -3.129   8.321
  719    HA   ALA  94           HA       ALA  94  11.517  -3.842   5.957
  720   1HB   ALA  94          1HB       ALA  94  10.555  -5.995   6.584
  721   2HB   ALA  94          2HB       ALA  94   9.852  -5.400   5.080
  722   3HB   ALA  94          3HB       ALA  94   8.944  -5.276   6.587
  723    H    ILE  95           H        ILE  95   8.139  -3.177   6.909
  724    HA   ILE  95           HA       ILE  95   7.374  -1.866   4.613
  725    HB   ILE  95           HB       ILE  95   5.759  -2.396   6.302
  726   1HG1  ILE  95          1HG1      ILE  95   4.480  -0.346   6.431
  727   2HG1  ILE  95          2HG1      ILE  95   5.921   0.619   6.136
  728   1HG2  ILE  95          1HG2      ILE  95   5.864  -0.639   8.348
  729   2HG2  ILE  95          2HG2      ILE  95   7.582  -0.876   8.029
  730   3HG2  ILE  95          3HG2      ILE  95   6.555  -2.261   8.396
  731   1HD1  ILE  95          1HD1      ILE  95   5.887  -0.971   3.938
  732   2HD1  ILE  95          2HD1      ILE  95   5.181   0.640   4.029
  733   3HD1  ILE  95          3HD1      ILE  95   4.166  -0.781   4.264
  734    H    LYS  96           H        LYS  96   9.748  -0.870   6.857
  735    HA   LYS  96           HA       LYS  96   9.480   1.946   6.129
  736   1HB   LYS  96          1HB       LYS  96  11.172   2.407   7.790
  737   2HB   LYS  96          2HB       LYS  96   9.919   1.395   8.486
  738   1HG   LYS  96          1HG       LYS  96  11.742   0.345   9.312
  739   2HG   LYS  96          2HG       LYS  96  11.591  -0.525   7.786
  740   1HD   LYS  96          1HD       LYS  96  13.325   0.732   6.787
  741   2HD   LYS  96          2HD       LYS  96  13.299   1.931   8.079
  742   1HE   LYS  96          1HE       LYS  96  14.114  -0.954   8.406
  743   2HE   LYS  96          2HE       LYS  96  15.230   0.399   8.234
  744   1HZ   LYS  96          1HZ       LYS  96  14.190   1.355  10.262
  745   2HZ   LYS  96          2HZ       LYS  96  15.012  -0.097  10.533
  746   3HZ   LYS  96          3HZ       LYS  96  13.323  -0.085  10.454
  747    H    GLN  97           H        GLN  97  11.698  -0.754   5.762
  748    HA   GLN  97           HA       GLN  97  13.611   0.760   4.253
  749   1HB   GLN  97          1HB       GLN  97  13.297  -2.245   4.437
  750   2HB   GLN  97          2HB       GLN  97  14.716  -1.376   3.869
  751   1HG   GLN  97          1HG       GLN  97  15.015  -0.424   6.106
  752   2HG   GLN  97          2HG       GLN  97  13.609  -1.332   6.662
  753   1HE2  GLN  97          1HE2      GLN  97  16.860  -1.316   6.650
  754   2HE2  GLN  97          2HE2      GLN  97  17.177  -3.007   6.804
  755    H    ALA  98           H        ALA  98  10.830  -1.238   3.578
  756    HA   ALA  98           HA       ALA  98  11.274  -1.680   0.834
  757   1HB   ALA  98          1HB       ALA  98   8.479  -1.328   1.710
  758   2HB   ALA  98          2HB       ALA  98   9.420  -2.537   2.582
  759   3HB   ALA  98          3HB       ALA  98   9.236  -2.657   0.833
  760    H    ILE  99           H        ILE  99   9.983   1.021   2.615
  761    HA   ILE  99           HA       ILE  99   9.144   2.413   0.205
  762    HB   ILE  99           HB       ILE  99   9.127   3.405   3.060
  763   1HG1  ILE  99          1HG1      ILE  99   6.935   2.052   1.472
  764   2HG1  ILE  99          2HG1      ILE  99   7.803   1.349   2.830
  765   1HG2  ILE  99          1HG2      ILE  99   8.649   4.720   0.619
  766   2HG2  ILE  99          2HG2      ILE  99   8.334   5.317   2.246
  767   3HG2  ILE  99          3HG2      ILE  99   7.071   4.466   1.361
  768   1HD1  ILE  99          1HD1      ILE  99   6.352   2.235   4.236
  769   2HD1  ILE  99          2HD1      ILE  99   5.450   2.889   2.869
  770   3HD1  ILE  99          3HD1      ILE  99   6.714   3.852   3.633
  771    H    ALA 100           H        ALA 100  11.955   2.095   2.080
  772    HA   ALA 100           HA       ALA 100  12.978   4.749   1.464
  773   1HB   ALA 100          1HB       ALA 100  13.856   4.315   3.487
  774   2HB   ALA 100          2HB       ALA 100  15.078   3.434   2.571
  775   3HB   ALA 100          3HB       ALA 100  13.717   2.569   3.286
  776    H    ALA 101           H        ALA 101  14.481   1.537   1.168
  777    HA   ALA 101           HA       ALA 101  16.350   2.141  -0.743
  778   1HB   ALA 101          1HB       ALA 101  16.584  -0.171  -1.135
  779   2HB   ALA 101          2HB       ALA 101  14.900  -0.492  -0.717
  780   3HB   ALA 101          3HB       ALA 101  16.048  -0.027   0.539
  781    H    ASN 102           H        ASN 102  12.926   1.611  -1.184
  782    HA   ASN 102           HA       ASN 102  13.119   1.404  -4.050
  783   1HB   ASN 102          1HB       ASN 102  10.797   1.597  -2.130
  784   2HB   ASN 102          2HB       ASN 102  10.612   1.463  -3.876
  785   1HD2  ASN 102          1HD2      ASN 102  13.309  -0.287  -3.141
  786   2HD2  ASN 102          2HD2      ASN 102  12.588  -1.840  -2.938
  787    H    ALA 103           H        ALA 103  12.103   3.804  -1.653
  788    HA   ALA 103           HA       ALA 103  11.106   5.740  -3.404
  789   1HB   ALA 103          1HB       ALA 103  10.632   6.077  -1.143
  790   2HB   ALA 103          2HB       ALA 103  11.787   7.353  -1.528
  791   3HB   ALA 103          3HB       ALA 103  12.323   5.909  -0.668
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  -1.016  13.425   4.355
    2   2H    MET   1          2H        MET   1  -1.138  12.211   3.151
    3   3H    MET   1          3H        MET   1  -0.730  11.786   4.761
    4    HA   MET   1           HA       MET   1  -2.876  12.596   5.494
    5   1HB   MET   1          1HB       MET   1  -4.579  13.043   3.786
    6   2HB   MET   1          2HB       MET   1  -3.231  14.164   3.642
    7   1HG   MET   1          1HG       MET   1  -2.337  12.859   1.786
    8   2HG   MET   1          2HG       MET   1  -3.678  11.725   1.935
    9   1HE   MET   1          1HE       MET   1  -4.426  16.037   1.733
   10   2HE   MET   1          2HE       MET   1  -3.322  15.839   0.373
   11   3HE   MET   1          3HE       MET   1  -2.842  15.301   1.981
   12    H    VAL   2           H        VAL   2  -2.086  10.603   2.669
   13    HA   VAL   2           HA       VAL   2  -2.409   8.394   2.239
   14    HB   VAL   2           HB       VAL   2  -3.230   8.184   5.139
   15   1HG1  VAL   2          1HG1      VAL   2  -2.019   5.819   4.231
   16   2HG1  VAL   2          2HG1      VAL   2  -3.201   6.275   3.004
   17   3HG1  VAL   2          3HG1      VAL   2  -3.705   6.069   4.680
   18   1HG2  VAL   2          1HG2      VAL   2  -0.763   7.169   5.102
   19   2HG2  VAL   2          2HG2      VAL   2  -1.084   8.877   5.404
   20   3HG2  VAL   2          3HG2      VAL   2  -0.596   8.343   3.796
   21    H    THR   3           H        THR   3  -4.033   7.191   1.368
   22    HA   THR   3           HA       THR   3  -6.769   7.540   2.282
   23    HB   THR   3           HB       THR   3  -5.925   8.260  -0.532
   24    HG1  THR   3           HG1      THR   3  -6.056  10.254   0.100
   25   1HG2  THR   3          1HG2      THR   3  -8.370   9.073  -0.596
   26   2HG2  THR   3          2HG2      THR   3  -8.620   7.904   0.701
   27   3HG2  THR   3          3HG2      THR   3  -8.024   7.365  -0.868
   28    H    GLN   4           H        GLN   4  -8.228   5.973   1.431
   29    HA   GLN   4           HA       GLN   4  -6.911   3.466   0.720
   30   1HB   GLN   4          1HB       GLN   4  -9.846   4.002   1.221
   31   2HB   GLN   4          2HB       GLN   4  -9.049   2.436   1.194
   32   1HG   GLN   4          1HG       GLN   4  -7.823   2.988   3.199
   33   2HG   GLN   4          2HG       GLN   4  -8.520   4.605   3.211
   34   1HE2  GLN   4          1HE2      GLN   4 -10.092   4.834   4.617
   35   2HE2  GLN   4          2HE2      GLN   4 -11.209   3.613   5.113
   36    H    PHE   5           H        PHE   5  -8.499   2.083  -0.829
   37    HA   PHE   5           HA       PHE   5  -9.221   3.774  -3.120
   38   1HB   PHE   5          1HB       PHE   5  -7.592   1.235  -3.199
   39   2HB   PHE   5          2HB       PHE   5  -8.368   1.934  -4.625
   40    HD1  PHE   5           HD1      PHE   5  -7.861   4.854  -3.874
   41    HD2  PHE   5           HD2      PHE   5  -5.351   1.410  -3.919
   42    HE1  PHE   5           HE1      PHE   5  -5.904   6.293  -4.276
   43    HE2  PHE   5           HE2      PHE   5  -3.396   2.848  -4.325
   44    HZ   PHE   5           HZ       PHE   5  -3.669   5.287  -4.503
   45    H    LYS   6           H        LYS   6 -11.007   3.218  -4.237
   46    HA   LYS   6           HA       LYS   6 -12.548   0.935  -3.194
   47   1HB   LYS   6          1HB       LYS   6 -13.550   3.503  -4.442
   48   2HB   LYS   6          2HB       LYS   6 -14.565   2.185  -3.873
   49   1HG   LYS   6          1HG       LYS   6 -12.746   3.877  -2.170
   50   2HG   LYS   6          2HG       LYS   6 -14.503   4.006  -2.266
   51   1HD   LYS   6          1HD       LYS   6 -14.730   1.746  -1.382
   52   2HD   LYS   6          2HD       LYS   6 -12.975   1.578  -1.327
   53   1HE   LYS   6          1HE       LYS   6 -13.872   2.103   0.876
   54   2HE   LYS   6          2HE       LYS   6 -12.848   3.410   0.284
   55   1HZ   LYS   6          1HZ       LYS   6 -15.819   3.367   0.220
   56   2HZ   LYS   6          2HZ       LYS   6 -14.845   4.619  -0.368
   57   3HZ   LYS   6          3HZ       LYS   6 -14.863   4.269   1.287
   58    H    THR   7           H        THR   7 -12.177   2.914  -6.137
   59    HA   THR   7           HA       THR   7 -12.807   0.529  -7.737
   60    HB   THR   7           HB       THR   7 -13.252   2.114  -9.581
   61    HG1  THR   7           HG1      THR   7 -13.191   4.304  -9.199
   62   1HG2  THR   7          1HG2      THR   7 -15.058   3.518  -8.129
   63   2HG2  THR   7          2HG2      THR   7 -14.765   2.128  -7.083
   64   3HG2  THR   7          3HG2      THR   7 -15.305   1.882  -8.743
   65    H    ALA   8           H        ALA   8 -11.637   0.499  -9.916
   66    HA   ALA   8           HA       ALA   8  -8.812   0.553  -9.368
   67   1HB   ALA   8          1HB       ALA   8 -10.551  -0.564 -11.477
   68   2HB   ALA   8          2HB       ALA   8  -9.185  -1.289 -10.629
   69   3HB   ALA   8          3HB       ALA   8  -8.902  -0.158 -11.953
   70    H    SER   9           H        SER   9 -11.092   2.525 -11.086
   71    HA   SER   9           HA       SER   9  -9.333   3.902 -12.782
   72   1HB   SER   9          1HB       SER   9 -11.872   4.894 -11.462
   73   2HB   SER   9          2HB       SER   9 -11.063   5.666 -12.825
   74    HG   SER   9           HG       SER   9 -12.700   3.473 -12.771
   75    H    GLU  10           H        GLU  10  -9.608   3.928  -9.384
   76    HA   GLU  10           HA       GLU  10  -8.474   6.563  -9.076
   77   1HB   GLU  10          1HB       GLU  10  -9.199   4.488  -7.016
   78   2HB   GLU  10          2HB       GLU  10  -8.650   6.121  -6.658
   79   1HG   GLU  10          1HG       GLU  10 -11.166   5.412  -8.153
   80   2HG   GLU  10          2HG       GLU  10 -11.077   5.881  -6.456
   81    H    PHE  11           H        PHE  11  -7.648   3.363  -7.878
   82    HA   PHE  11           HA       PHE  11  -5.016   3.946  -7.140
   83   1HB   PHE  11          1HB       PHE  11  -6.384   1.932  -6.463
   84   2HB   PHE  11          2HB       PHE  11  -6.034   1.248  -8.044
   85    HD1  PHE  11           HD1      PHE  11  -5.252  -0.565  -6.275
   86    HD2  PHE  11           HD2      PHE  11  -3.229   3.097  -7.063
   87    HE1  PHE  11           HE1      PHE  11  -3.167  -1.521  -5.378
   88    HE2  PHE  11           HE2      PHE  11  -1.147   2.142  -6.181
   89    HZ   PHE  11           HZ       PHE  11  -1.117  -0.165  -5.337
   90    H    ASP  12           H        ASP  12  -6.406   3.279 -10.242
   91    HA   ASP  12           HA       ASP  12  -4.242   2.282 -11.659
   92   1HB   ASP  12          1HB       ASP  12  -6.493   2.447 -12.607
   93   2HB   ASP  12          2HB       ASP  12  -6.372   4.204 -12.621
   94    H    SER  13           H        SER  13  -5.190   5.711 -11.351
   95    HA   SER  13           HA       SER  13  -2.821   6.660 -12.616
   96   1HB   SER  13          1HB       SER  13  -4.839   8.130 -10.905
   97   2HB   SER  13          2HB       SER  13  -3.594   8.894 -11.893
   98    HG   SER  13           HG       SER  13  -5.874   7.453 -12.710
   99    H    ALA  14           H        ALA  14  -3.611   5.789  -9.365
  100    HA   ALA  14           HA       ALA  14  -1.858   7.354  -7.891
  101   1HB   ALA  14          1HB       ALA  14  -3.552   5.259  -7.349
  102   2HB   ALA  14          2HB       ALA  14  -2.522   6.086  -6.181
  103   3HB   ALA  14          3HB       ALA  14  -1.966   4.600  -6.950
  104    H    ILE  15           H        ILE  15  -1.219   4.400  -9.719
  105    HA   ILE  15           HA       ILE  15   1.559   4.369  -8.872
  106    HB   ILE  15           HB       ILE  15   1.781   2.350 -10.222
  107   1HG1  ILE  15          1HG1      ILE  15  -1.117   2.850 -10.945
  108   2HG1  ILE  15          2HG1      ILE  15   0.255   2.871 -12.048
  109   1HG2  ILE  15          1HG2      ILE  15   0.433   0.919  -8.870
  110   2HG2  ILE  15          2HG2      ILE  15  -0.715   2.217  -8.545
  111   3HG2  ILE  15          3HG2      ILE  15   0.918   2.299  -7.884
  112   1HD1  ILE  15          1HD1      ILE  15  -0.806   0.811 -12.387
  113   2HD1  ILE  15          2HD1      ILE  15  -0.970   0.518 -10.655
  114   3HD1  ILE  15          3HD1      ILE  15   0.620   0.449 -11.415
  115    H    ALA  16           H        ALA  16  -0.234   4.762 -11.920
  116    HA   ALA  16           HA       ALA  16   1.763   5.041 -13.725
  117   1HB   ALA  16          1HB       ALA  16   0.229   5.949 -15.121
  118   2HB   ALA  16          2HB       ALA  16  -0.348   7.102 -13.916
  119   3HB   ALA  16          3HB       ALA  16  -0.871   5.420 -13.848
  120    H    GLN  17           H        GLN  17   3.650   6.005 -13.321
  121    HA   GLN  17           HA       GLN  17   5.189   7.589 -12.717
  122   1HB   GLN  17          1HB       GLN  17   3.181   9.315 -14.170
  123   2HB   GLN  17          2HB       GLN  17   4.848   9.761 -13.840
  124   1HG   GLN  17          1HG       GLN  17   5.622   7.894 -15.211
  125   2HG   GLN  17          2HG       GLN  17   3.943   7.450 -15.545
  126   1HE2  GLN  17          1HE2      GLN  17   6.543   8.943 -16.802
  127   2HE2  GLN  17          2HE2      GLN  17   5.772  10.035 -17.897
  128    H    ASP  18           H        ASP  18   4.944   7.541 -10.443
  129    HA   ASP  18           HA       ASP  18   4.240  10.041  -9.316
  130   1HB   ASP  18          1HB       ASP  18   1.984   8.907  -9.649
  131   2HB   ASP  18          2HB       ASP  18   2.488   7.757  -8.416
  132    H    LYS  19           H        LYS  19   6.554   8.430  -9.316
  133    HA   LYS  19           HA       LYS  19   8.196   7.732  -7.892
  134   1HB   LYS  19          1HB       LYS  19   6.363   9.005  -5.870
  135   2HB   LYS  19          2HB       LYS  19   8.014   8.517  -5.538
  136   1HG   LYS  19          1HG       LYS  19   8.027  10.853  -5.903
  137   2HG   LYS  19          2HG       LYS  19   8.757  10.096  -7.319
  138   1HD   LYS  19          1HD       LYS  19   6.740  10.393  -8.590
  139   2HD   LYS  19          2HD       LYS  19   5.873  10.964  -7.163
  140   1HE   LYS  19          1HE       LYS  19   6.516  12.821  -8.605
  141   2HE   LYS  19          2HE       LYS  19   7.341  12.912  -7.049
  142   1HZ   LYS  19          1HZ       LYS  19   8.585  13.170  -9.375
  143   2HZ   LYS  19          2HZ       LYS  19   8.749  11.500  -9.164
  144   3HZ   LYS  19          3HZ       LYS  19   9.341  12.562  -7.988
  145    H    LEU  20           H        LEU  20   7.838   6.801  -5.184
  146    HA   LEU  20           HA       LEU  20   6.740   4.171  -5.812
  147   1HB   LEU  20          1HB       LEU  20   9.016   4.219  -4.969
  148   2HB   LEU  20          2HB       LEU  20   8.501   5.131  -3.551
  149    HG   LEU  20           HG       LEU  20   7.122   3.170  -2.864
  150   1HD1  LEU  20          1HD1      LEU  20   8.410   1.117  -4.285
  151   2HD1  LEU  20          2HD1      LEU  20   7.826   2.270  -5.484
  152   3HD1  LEU  20          3HD1      LEU  20   6.705   1.559  -4.322
  153   1HD2  LEU  20          1HD2      LEU  20   9.112   3.309  -1.701
  154   2HD2  LEU  20          2HD2      LEU  20  10.094   3.029  -3.139
  155   3HD2  LEU  20          3HD2      LEU  20   9.208   1.694  -2.403
  156    H    VAL  21           H        VAL  21   4.738   3.777  -5.233
  157    HA   VAL  21           HA       VAL  21   3.617   5.132  -2.877
  158    HB   VAL  21           HB       VAL  21   2.136   3.763  -5.130
  159   1HG1  VAL  21          1HG1      VAL  21   1.156   4.102  -2.695
  160   2HG1  VAL  21          2HG1      VAL  21   0.167   4.350  -4.134
  161   3HG1  VAL  21          3HG1      VAL  21   0.872   5.734  -3.300
  162   1HG2  VAL  21          1HG2      VAL  21   3.144   6.519  -4.793
  163   2HG2  VAL  21          2HG2      VAL  21   1.497   6.354  -5.404
  164   3HG2  VAL  21          3HG2      VAL  21   2.837   5.592  -6.262
  165    H    VAL  22           H        VAL  22   3.049   3.979  -1.135
  166    HA   VAL  22           HA       VAL  22   3.348   1.065  -1.269
  167    HB   VAL  22           HB       VAL  22   3.186   2.850   1.167
  168   1HG1  VAL  22          1HG1      VAL  22   3.808   0.942   2.452
  169   2HG1  VAL  22          2HG1      VAL  22   4.062  -0.027   1.000
  170   3HG1  VAL  22          3HG1      VAL  22   2.433   0.476   1.453
  171   1HG2  VAL  22          1HG2      VAL  22   5.269   3.418   0.551
  172   2HG2  VAL  22          2HG2      VAL  22   5.409   2.074  -0.580
  173   3HG2  VAL  22          3HG2      VAL  22   5.702   1.813   1.139
  174    H    VAL  23           H        VAL  23   1.416   0.303  -1.985
  175    HA   VAL  23           HA       VAL  23  -1.017   1.195  -0.622
  176    HB   VAL  23           HB       VAL  23  -0.814  -0.539  -3.083
  177   1HG1  VAL  23          1HG1      VAL  23  -3.187   1.106  -2.351
  178   2HG1  VAL  23          2HG1      VAL  23  -2.919  -0.427  -1.519
  179   3HG1  VAL  23          3HG1      VAL  23  -3.095  -0.394  -3.273
  180   1HG2  VAL  23          1HG2      VAL  23  -0.245   1.292  -4.209
  181   2HG2  VAL  23          2HG2      VAL  23  -0.380   2.287  -2.760
  182   3HG2  VAL  23          3HG2      VAL  23  -1.799   1.992  -3.762
  183    H    ASP  24           H        ASP  24  -1.963  -0.025   0.855
  184    HA   ASP  24           HA       ASP  24  -0.998  -2.759   1.235
  185   1HB   ASP  24          1HB       ASP  24  -0.865  -1.201   3.152
  186   2HB   ASP  24          2HB       ASP  24  -2.620  -1.002   3.084
  187    H    PHE  25           H        PHE  25  -2.270  -4.499   0.923
  188    HA   PHE  25           HA       PHE  25  -5.029  -4.059   0.073
  189   1HB   PHE  25          1HB       PHE  25  -3.066  -6.335  -0.236
  190   2HB   PHE  25          2HB       PHE  25  -4.768  -6.492  -0.662
  191    HD1  PHE  25           HD1      PHE  25  -2.162  -3.863  -1.302
  192    HD2  PHE  25           HD2      PHE  25  -5.076  -6.532  -2.863
  193    HE1  PHE  25           HE1      PHE  25  -1.635  -3.086  -3.584
  194    HE2  PHE  25           HE2      PHE  25  -4.577  -5.756  -5.138
  195    HZ   PHE  25           HZ       PHE  25  -2.861  -4.024  -5.504
  196    H    TYR  26           H        TYR  26  -4.803  -3.706   2.728
  197    HA   TYR  26           HA       TYR  26  -4.882  -5.910   4.394
  198   1HB   TYR  26          1HB       TYR  26  -6.385  -4.418   5.854
  199   2HB   TYR  26          2HB       TYR  26  -4.766  -3.846   5.481
  200    HD1  TYR  26           HD1      TYR  26  -8.116  -3.667   3.802
  201    HD2  TYR  26           HD2      TYR  26  -4.674  -1.553   5.135
  202    HE1  TYR  26           HE1      TYR  26  -9.072  -1.578   2.963
  203    HE2  TYR  26           HE2      TYR  26  -5.621   0.533   4.348
  204    HH   TYR  26           HH       TYR  26  -8.350   0.641   2.279
  205    H    ALA  27           H        ALA  27  -6.266  -7.503   4.792
  206    HA   ALA  27           HA       ALA  27  -8.338  -8.181   3.110
  207   1HB   ALA  27          1HB       ALA  27  -7.660  -8.982   5.904
  208   2HB   ALA  27          2HB       ALA  27  -7.633  -9.937   4.422
  209   3HB   ALA  27          3HB       ALA  27  -9.170  -9.535   5.182
  210    H    THR  28           H        THR  28 -10.632  -8.165   3.345
  211    HA   THR  28           HA       THR  28 -11.559  -5.726   4.621
  212    HB   THR  28           HB       THR  28 -12.241  -6.065   2.315
  213    HG1  THR  28           HG1      THR  28 -14.446  -6.482   4.049
  214   1HG2  THR  28          1HG2      THR  28 -14.134  -7.935   2.144
  215   2HG2  THR  28          2HG2      THR  28 -13.060  -8.725   3.298
  216   3HG2  THR  28          3HG2      THR  28 -12.447  -8.230   1.721
  217    H    TRP  29           H        TRP  29 -10.911  -8.327   6.063
  218    HA   TRP  29           HA       TRP  29 -13.378  -8.436   7.626
  219   1HB   TRP  29          1HB       TRP  29 -13.076 -10.971   7.737
  220   2HB   TRP  29          2HB       TRP  29 -13.698 -10.306   6.219
  221    HD1  TRP  29           HD1      TRP  29 -11.939 -10.194   4.137
  222    HE1  TRP  29           HE1      TRP  29  -9.893 -11.657   3.598
  223    HE3  TRP  29           HE3      TRP  29 -11.193 -12.275   8.746
  224    HZ2  TRP  29           HZ2      TRP  29  -8.181 -13.445   4.948
  225    HZ3  TRP  29           HZ3      TRP  29  -9.321 -13.844   9.040
  226    HH2  TRP  29           HH2      TRP  29  -7.848 -14.415   7.177
  227    H    CYS  30           H        CYS  30  -9.979  -9.423   7.369
  228    HA   CYS  30           HA       CYS  30  -9.249 -10.487   9.660
  229   1HB   CYS  30          1HB       CYS  30  -7.625  -9.689   8.001
  230   2HB   CYS  30          2HB       CYS  30  -7.882  -8.028   8.541
  231    HG   CYS  30           HG       CYS  30  -6.169  -8.400  10.236
  232    H    GLY  31           H        GLY  31  -9.004  -6.931   9.670
  233   1HA   GLY  31          1HA       GLY  31 -10.499  -5.781  11.353
  234   2HA   GLY  31          2HA       GLY  31  -9.923  -7.005  12.476
  235    HA   PRO  32           HA       PRO  32  -6.501  -4.637  13.905
  236   1HB   PRO  32          1HB       PRO  32  -4.712  -6.722  12.724
  237   2HB   PRO  32          2HB       PRO  32  -4.696  -6.015  14.344
  238   1HG   PRO  32          1HG       PRO  32  -5.699  -8.446  13.938
  239   2HG   PRO  32          2HG       PRO  32  -6.467  -7.323  15.077
  240   1HD   PRO  32          1HD       PRO  32  -7.339  -8.153  12.357
  241   2HD   PRO  32          2HD       PRO  32  -8.314  -7.692  13.764
  242    H    CYS  33           H        CYS  33  -6.372  -5.891  10.626
  243    HA   CYS  33           HA       CYS  33  -4.292  -4.316   9.606
  244   1HB   CYS  33          1HB       CYS  33  -6.768  -5.330   8.185
  245   2HB   CYS  33          2HB       CYS  33  -5.297  -4.738   7.402
  246    HG   CYS  33           HG       CYS  33  -5.569  -7.474   7.788
  247    H    LYS  34           H        LYS  34  -7.494  -3.477  10.565
  248    HA   LYS  34           HA       LYS  34  -7.819  -1.179   8.903
  249   1HB   LYS  34          1HB       LYS  34  -9.741  -2.356   9.853
  250   2HB   LYS  34          2HB       LYS  34  -9.204  -1.947  11.476
  251   1HG   LYS  34          1HG       LYS  34  -9.531   0.424  10.990
  252   2HG   LYS  34          2HG       LYS  34 -10.067   0.014   9.360
  253   1HD   LYS  34          1HD       LYS  34 -11.938  -1.256  10.298
  254   2HD   LYS  34          2HD       LYS  34 -11.398  -0.850  11.928
  255   1HE   LYS  34          1HE       LYS  34 -12.289   1.110   9.814
  256   2HE   LYS  34          2HE       LYS  34 -13.233   0.596  11.211
  257   1HZ   LYS  34          1HZ       LYS  34 -10.994   2.448  11.064
  258   2HZ   LYS  34          2HZ       LYS  34 -11.036   1.440  12.420
  259   3HZ   LYS  34          3HZ       LYS  34 -12.344   2.458  12.084
  260    H    MET  35           H        MET  35  -6.585  -1.722  12.162
  261    HA   MET  35           HA       MET  35  -6.371   1.046  12.833
  262   1HB   MET  35          1HB       MET  35  -6.518  -0.725  14.536
  263   2HB   MET  35          2HB       MET  35  -4.961  -1.353  14.016
  264   1HG   MET  35          1HG       MET  35  -3.868   0.685  14.727
  265   2HG   MET  35          2HG       MET  35  -5.421   1.385  15.178
  266   1HE   MET  35          1HE       MET  35  -6.644  -1.565  17.155
  267   2HE   MET  35          2HE       MET  35  -7.048   0.004  16.456
  268   3HE   MET  35          3HE       MET  35  -6.608  -0.116  18.160
  269    H    ILE  36           H        ILE  36  -4.807  -0.627  10.526
  270    HA   ILE  36           HA       ILE  36  -2.119   0.313  10.941
  271    HB   ILE  36           HB       ILE  36  -3.491  -1.175   8.722
  272   1HG1  ILE  36          1HG1      ILE  36  -1.310  -1.939  10.669
  273   2HG1  ILE  36          2HG1      ILE  36  -3.003  -2.410  10.784
  274   1HG2  ILE  36          1HG2      ILE  36  -0.799   0.079   8.758
  275   2HG2  ILE  36          2HG2      ILE  36  -1.963  -0.078   7.441
  276   3HG2  ILE  36          3HG2      ILE  36  -1.013  -1.476   7.950
  277   1HD1  ILE  36          1HD1      ILE  36  -2.712  -3.528   8.550
  278   2HD1  ILE  36          2HD1      ILE  36  -1.851  -4.256   9.906
  279   3HD1  ILE  36          3HD1      ILE  36  -0.981  -3.258   8.743
  280    H    ALA  37           H        ALA  37  -4.966   1.418   9.285
  281    HA   ALA  37           HA       ALA  37  -3.948   3.010   7.281
  282   1HB   ALA  37          1HB       ALA  37  -6.413   2.564   8.196
  283   2HB   ALA  37          2HB       ALA  37  -6.021   3.914   7.132
  284   3HB   ALA  37          3HB       ALA  37  -6.157   4.173   8.871
  285    HA   PRO  38           HA       PRO  38  -3.333   6.612  10.441
  286   1HB   PRO  38          1HB       PRO  38  -2.960   5.904  13.048
  287   2HB   PRO  38          2HB       PRO  38  -4.534   6.354  12.375
  288   1HG   PRO  38          1HG       PRO  38  -3.423   3.653  12.969
  289   2HG   PRO  38          2HG       PRO  38  -5.080   4.253  13.149
  290   1HD   PRO  38          1HD       PRO  38  -4.241   2.683  11.080
  291   2HD   PRO  38          2HD       PRO  38  -5.603   3.799  10.965
  292    H    MET  39           H        MET  39  -1.830   3.509  11.247
  293    HA   MET  39           HA       MET  39   0.711   4.553  11.938
  294   1HB   MET  39          1HB       MET  39   0.056   2.277  12.540
  295   2HB   MET  39          2HB       MET  39  -0.049   1.828  10.851
  296   1HG   MET  39          1HG       MET  39   2.326   2.197  10.623
  297   2HG   MET  39          2HG       MET  39   2.439   2.657  12.313
  298   1HE   MET  39          1HE       MET  39   0.867   0.236  10.043
  299   2HE   MET  39          2HE       MET  39   0.419  -1.062  11.149
  300   3HE   MET  39          3HE       MET  39   1.907  -1.179  10.207
  301    H    ILE  40           H        ILE  40  -0.550   3.134   8.932
  302    HA   ILE  40           HA       ILE  40   1.679   3.414   7.318
  303    HB   ILE  40           HB       ILE  40  -1.254   3.649   6.621
  304   1HG1  ILE  40          1HG1      ILE  40   0.760   1.407   6.349
  305   2HG1  ILE  40          2HG1      ILE  40  -0.565   1.489   7.502
  306   1HG2  ILE  40          1HG2      ILE  40  -0.603   4.480   4.649
  307   2HG2  ILE  40          2HG2      ILE  40   0.050   2.876   4.315
  308   3HG2  ILE  40          3HG2      ILE  40   1.096   4.135   4.969
  309   1HD1  ILE  40          1HD1      ILE  40  -2.160   1.029   5.907
  310   2HD1  ILE  40          2HD1      ILE  40  -0.792   0.068   5.341
  311   3HD1  ILE  40          3HD1      ILE  40  -1.150   1.618   4.586
  312    H    GLU  41           H        GLU  41  -0.506   5.829   8.510
  313    HA   GLU  41           HA       GLU  41   0.286   7.881   6.663
  314   1HB   GLU  41          1HB       GLU  41  -1.923   7.916   7.715
  315   2HB   GLU  41          2HB       GLU  41  -1.181   8.040   9.303
  316   1HG   GLU  41          1HG       GLU  41  -0.231  10.216   8.667
  317   2HG   GLU  41          2HG       GLU  41  -1.033  10.090   7.101
  318    H    LYS  42           H        LYS  42   1.321   6.705   9.765
  319    HA   LYS  42           HA       LYS  42   2.838   8.948  10.577
  320   1HB   LYS  42          1HB       LYS  42   3.049   6.022  11.300
  321   2HB   LYS  42          2HB       LYS  42   3.977   7.293  12.085
  322   1HG   LYS  42          1HG       LYS  42   1.916   8.340  12.851
  323   2HG   LYS  42          2HG       LYS  42   0.972   7.090  12.037
  324   1HD   LYS  42          1HD       LYS  42   1.182   6.622  14.426
  325   2HD   LYS  42          2HD       LYS  42   1.990   5.385  13.461
  326   1HE   LYS  42          1HE       LYS  42   3.344   6.025  15.389
  327   2HE   LYS  42          2HE       LYS  42   4.143   6.455  13.878
  328   1HZ   LYS  42          1HZ       LYS  42   3.401   8.733  14.170
  329   2HZ   LYS  42          2HZ       LYS  42   4.301   8.231  15.510
  330   3HZ   LYS  42          3HZ       LYS  42   2.616   8.322  15.611
  331    H    PHE  43           H        PHE  43   3.377   6.568   8.179
  332    HA   PHE  43           HA       PHE  43   6.264   6.904   8.192
  333   1HB   PHE  43          1HB       PHE  43   4.423   5.248   6.462
  334   2HB   PHE  43          2HB       PHE  43   6.168   5.320   6.238
  335    HD1  PHE  43           HD1      PHE  43   3.817   4.855   9.100
  336    HD2  PHE  43           HD2      PHE  43   7.306   3.518   7.063
  337    HE1  PHE  43           HE1      PHE  43   4.093   3.060  10.762
  338    HE2  PHE  43           HE2      PHE  43   7.586   1.720   8.719
  339    HZ   PHE  43           HZ       PHE  43   5.981   1.489  10.570
  340    H    SER  44           H        SER  44   3.533   8.304   6.696
  341    HA   SER  44           HA       SER  44   4.710   9.115   4.252
  342   1HB   SER  44          1HB       SER  44   2.282   9.095   4.562
  343   2HB   SER  44          2HB       SER  44   2.418  10.351   5.804
  344    HG   SER  44           HG       SER  44   3.284  11.725   4.168
  345    H    GLU  45           H        GLU  45   5.295  10.095   7.435
  346    HA   GLU  45           HA       GLU  45   6.024  12.820   6.781
  347   1HB   GLU  45          1HB       GLU  45   5.041  12.335   8.966
  348   2HB   GLU  45          2HB       GLU  45   6.360  11.231   9.330
  349   1HG   GLU  45          1HG       GLU  45   6.669  13.346  10.462
  350   2HG   GLU  45          2HG       GLU  45   7.940  13.086   9.268
  351    H    GLN  46           H        GLN  46   7.541   9.719   6.995
  352    HA   GLN  46           HA       GLN  46  10.218  10.848   7.112
  353   1HB   GLN  46          1HB       GLN  46   9.291   7.980   6.922
  354   2HB   GLN  46          2HB       GLN  46  10.961   8.494   7.126
  355   1HG   GLN  46          1HG       GLN  46  10.385   9.523   9.259
  356   2HG   GLN  46          2HG       GLN  46   8.712   9.009   9.054
  357   1HE2  GLN  46          1HE2      GLN  46   8.211   7.292  10.188
  358   2HE2  GLN  46          2HE2      GLN  46   9.279   5.974  10.587
  359    H    TYR  47           H        TYR  47   8.070   9.291   4.801
  360    HA   TYR  47           HA       TYR  47  10.077   9.819   2.704
  361   1HB   TYR  47          1HB       TYR  47   8.032   7.592   2.761
  362   2HB   TYR  47          2HB       TYR  47   9.200   7.890   1.478
  363    HD1  TYR  47           HD1      TYR  47  11.714   7.869   2.210
  364    HD2  TYR  47           HD2      TYR  47   8.557   6.118   4.455
  365    HE1  TYR  47           HE1      TYR  47  13.345   6.444   3.374
  366    HE2  TYR  47           HE2      TYR  47  10.177   4.676   5.624
  367    HH   TYR  47           HH       TYR  47  12.622   3.755   4.979
  368    HA   PRO  48           HA       PRO  48   5.792  12.170   2.363
  369   1HB   PRO  48          1HB       PRO  48   7.942  14.152   1.737
  370   2HB   PRO  48          2HB       PRO  48   6.367  14.411   2.500
  371   1HG   PRO  48          1HG       PRO  48   8.633  14.263   3.939
  372   2HG   PRO  48          2HG       PRO  48   7.086  13.659   4.553
  373   1HD   PRO  48          1HD       PRO  48   9.472  12.158   3.706
  374   2HD   PRO  48          2HD       PRO  48   8.106  11.638   4.715
  375    H    GLN  49           H        GLN  49   8.738  11.916   0.489
  376    HA   GLN  49           HA       GLN  49   7.785  12.830  -1.978
  377   1HB   GLN  49          1HB       GLN  49   9.889  10.732  -1.419
  378   2HB   GLN  49          2HB       GLN  49   9.636  11.519  -2.972
  379   1HG   GLN  49          1HG       GLN  49  10.195  13.674  -1.974
  380   2HG   GLN  49          2HG       GLN  49  10.437  12.890  -0.414
  381   1HE2  GLN  49          1HE2      GLN  49  12.478  12.576   0.060
  382   2HE2  GLN  49          2HE2      GLN  49  13.754  12.250  -1.058
  383    H    ALA  50           H        ALA  50   7.639   9.662  -0.463
  384    HA   ALA  50           HA       ALA  50   6.328   8.490  -2.779
  385   1HB   ALA  50          1HB       ALA  50   6.223   6.526  -0.975
  386   2HB   ALA  50          2HB       ALA  50   7.540   7.470  -0.277
  387   3HB   ALA  50          3HB       ALA  50   7.667   6.865  -1.929
  388    H    ASP  51           H        ASP  51   4.208   7.738  -2.804
  389    HA   ASP  51           HA       ASP  51   2.428   9.086  -0.939
  390   1HB   ASP  51          1HB       ASP  51   1.838   7.493  -3.443
  391   2HB   ASP  51          2HB       ASP  51   0.631   8.341  -2.479
  392    H    PHE  52           H        PHE  52   0.833   8.030   0.282
  393    HA   PHE  52           HA       PHE  52   1.274   5.143   0.652
  394   1HB   PHE  52          1HB       PHE  52   0.711   7.221   2.779
  395   2HB   PHE  52          2HB       PHE  52   0.757   5.476   3.061
  396    HD1  PHE  52           HD1      PHE  52   2.913   8.049   1.415
  397    HD2  PHE  52           HD2      PHE  52   2.678   4.693   4.018
  398    HE1  PHE  52           HE1      PHE  52   5.340   8.180   1.797
  399    HE2  PHE  52           HE2      PHE  52   5.102   4.816   4.404
  400    HZ   PHE  52           HZ       PHE  52   6.437   6.561   3.294
  401    H    TYR  53           H        TYR  53  -0.446   4.453  -0.550
  402    HA   TYR  53           HA       TYR  53  -3.119   5.391   0.250
  403   1HB   TYR  53          1HB       TYR  53  -2.082   4.171  -2.300
  404   2HB   TYR  53          2HB       TYR  53  -3.803   4.227  -1.934
  405    HD1  TYR  53           HD1      TYR  53  -4.756   6.585  -1.341
  406    HD2  TYR  53           HD2      TYR  53  -1.101   5.947  -3.422
  407    HE1  TYR  53           HE1      TYR  53  -4.888   8.859  -2.262
  408    HE2  TYR  53           HE2      TYR  53  -1.220   8.222  -4.343
  409    HH   TYR  53           HH       TYR  53  -2.940   9.932  -4.813
  410    H    LYS  54           H        LYS  54  -4.835   3.586  -0.126
  411    HA   LYS  54           HA       LYS  54  -3.812   1.051   0.978
  412   1HB   LYS  54          1HB       LYS  54  -6.596   1.777   1.657
  413   2HB   LYS  54          2HB       LYS  54  -5.368   0.989   2.638
  414   1HG   LYS  54          1HG       LYS  54  -5.472   3.941   2.058
  415   2HG   LYS  54          2HG       LYS  54  -6.080   3.176   3.520
  416   1HD   LYS  54          1HD       LYS  54  -3.222   3.032   2.590
  417   2HD   LYS  54          2HD       LYS  54  -3.831   4.186   3.773
  418   1HE   LYS  54          1HE       LYS  54  -3.000   2.527   5.121
  419   2HE   LYS  54          2HE       LYS  54  -4.695   2.070   4.995
  420   1HZ   LYS  54          1HZ       LYS  54  -4.072   0.497   3.235
  421   2HZ   LYS  54          2HZ       LYS  54  -3.289   0.151   4.685
  422   3HZ   LYS  54          3HZ       LYS  54  -2.450   0.912   3.431
  423    H    LEU  55           H        LEU  55  -5.286  -0.812   0.545
  424    HA   LEU  55           HA       LEU  55  -6.829  -0.425  -1.934
  425   1HB   LEU  55          1HB       LEU  55  -4.554  -1.503  -2.266
  426   2HB   LEU  55          2HB       LEU  55  -5.155  -2.857  -1.331
  427    HG   LEU  55           HG       LEU  55  -5.259  -3.275  -3.751
  428   1HD1  LEU  55          1HD1      LEU  55  -7.197  -4.436  -3.629
  429   2HD1  LEU  55          2HD1      LEU  55  -8.113  -3.063  -3.008
  430   3HD1  LEU  55          3HD1      LEU  55  -7.068  -3.987  -1.928
  431   1HD2  LEU  55          1HD2      LEU  55  -7.374  -1.142  -3.874
  432   2HD2  LEU  55          2HD2      LEU  55  -6.649  -2.040  -5.208
  433   3HD2  LEU  55          3HD2      LEU  55  -5.692  -0.854  -4.320
  434    H    ASP  56           H        ASP  56  -8.891  -0.716  -1.371
  435    HA   ASP  56           HA       ASP  56  -9.762  -2.211   0.854
  436   1HB   ASP  56          1HB       ASP  56 -11.017  -0.346  -0.393
  437   2HB   ASP  56          2HB       ASP  56 -11.474  -1.594  -1.554
  438    H    VAL  57           H        VAL  57  -9.581  -4.351   1.052
  439    HA   VAL  57           HA       VAL  57  -9.297  -6.094  -1.168
  440    HB   VAL  57           HB       VAL  57  -9.699  -6.638   1.781
  441   1HG1  VAL  57          1HG1      VAL  57  -9.685  -8.508  -0.543
  442   2HG1  VAL  57          2HG1      VAL  57 -10.511  -8.639   1.009
  443   3HG1  VAL  57          3HG1      VAL  57  -8.786  -8.987   0.898
  444   1HG2  VAL  57          1HG2      VAL  57  -7.359  -7.241   1.705
  445   2HG2  VAL  57          2HG2      VAL  57  -7.559  -5.636   1.003
  446   3HG2  VAL  57          3HG2      VAL  57  -7.316  -7.032  -0.047
  447    H    ASP  58           H        ASP  58 -12.050  -4.693   0.189
  448    HA   ASP  58           HA       ASP  58 -13.777  -6.895  -0.678
  449   1HB   ASP  58          1HB       ASP  58 -14.327  -6.051   1.507
  450   2HB   ASP  58          2HB       ASP  58 -14.395  -4.398   0.913
  451    H    GLU  59           H        GLU  59 -13.704  -3.351  -0.916
  452    HA   GLU  59           HA       GLU  59 -15.519  -3.032  -2.972
  453   1HB   GLU  59          1HB       GLU  59 -14.073  -1.347  -1.461
  454   2HB   GLU  59          2HB       GLU  59 -13.155  -1.228  -2.952
  455   1HG   GLU  59          1HG       GLU  59 -16.063  -0.594  -2.527
  456   2HG   GLU  59          2HG       GLU  59 -14.762   0.526  -2.914
  457    H    LEU  60           H        LEU  60 -12.003  -3.521  -3.175
  458    HA   LEU  60           HA       LEU  60 -12.059  -3.559  -6.054
  459   1HB   LEU  60          1HB       LEU  60  -9.885  -4.079  -4.072
  460   2HB   LEU  60          2HB       LEU  60  -9.643  -4.258  -5.784
  461    HG   LEU  60           HG       LEU  60  -8.778  -2.137  -5.002
  462   1HD1  LEU  60          1HD1      LEU  60  -9.340  -1.398  -6.995
  463   2HD1  LEU  60          2HD1      LEU  60 -10.931  -0.941  -6.389
  464   3HD1  LEU  60          3HD1      LEU  60 -10.667  -2.554  -7.043
  465   1HD2  LEU  60          1HD2      LEU  60 -10.200  -0.432  -4.059
  466   2HD2  LEU  60          2HD2      LEU  60 -10.303  -1.885  -3.066
  467   3HD2  LEU  60          3HD2      LEU  60 -11.608  -1.487  -4.182
  468    H    GLY  61           H        GLY  61 -10.864  -5.888  -3.736
  469   1HA   GLY  61          1HA       GLY  61 -11.055  -8.182  -3.619
  470   2HA   GLY  61          2HA       GLY  61 -12.427  -8.053  -4.710
  471    H    ASP  62           H        ASP  62 -11.696  -7.420  -7.043
  472    HA   ASP  62           HA       ASP  62 -10.280  -9.555  -8.104
  473   1HB   ASP  62          1HB       ASP  62 -10.787  -6.871  -9.312
  474   2HB   ASP  62          2HB       ASP  62 -10.257  -8.281 -10.209
  475    H    VAL  63           H        VAL  63  -9.141  -6.481  -6.942
  476    HA   VAL  63           HA       VAL  63  -6.584  -6.609  -8.213
  477    HB   VAL  63           HB       VAL  63  -7.278  -5.022  -5.736
  478   1HG1  VAL  63          1HG1      VAL  63  -5.307  -3.998  -5.981
  479   2HG1  VAL  63          2HG1      VAL  63  -5.501  -3.849  -7.727
  480   3HG1  VAL  63          3HG1      VAL  63  -4.876  -5.345  -7.034
  481   1HG2  VAL  63          1HG2      VAL  63  -7.587  -4.126  -8.598
  482   2HG2  VAL  63          2HG2      VAL  63  -8.010  -3.226  -7.143
  483   3HG2  VAL  63          3HG2      VAL  63  -8.922  -4.669  -7.585
  484    H    ALA  64           H        ALA  64  -7.659  -7.177  -4.843
  485    HA   ALA  64           HA       ALA  64  -5.202  -8.053  -3.800
  486   1HB   ALA  64          1HB       ALA  64  -7.655  -7.672  -2.749
  487   2HB   ALA  64          2HB       ALA  64  -6.373  -8.571  -1.936
  488   3HB   ALA  64          3HB       ALA  64  -7.626  -9.433  -2.829
  489    H    GLN  65           H        GLN  65  -7.469  -9.567  -5.931
  490    HA   GLN  65           HA       GLN  65  -6.324 -12.213  -5.579
  491   1HB   GLN  65          1HB       GLN  65  -8.744 -12.017  -5.867
  492   2HB   GLN  65          2HB       GLN  65  -8.509 -11.226  -7.419
  493   1HG   GLN  65          1HG       GLN  65  -7.480 -13.261  -8.299
  494   2HG   GLN  65          2HG       GLN  65  -7.726 -14.053  -6.742
  495   1HE2  GLN  65          1HE2      GLN  65  -8.914 -13.803  -9.759
  496   2HE2  GLN  65          2HE2      GLN  65 -10.568 -14.211  -9.473
  497    H    LYS  66           H        LYS  66  -6.423  -9.627  -8.008
  498    HA   LYS  66           HA       LYS  66  -5.188 -11.033 -10.092
  499   1HB   LYS  66          1HB       LYS  66  -4.935  -8.997 -11.192
  500   2HB   LYS  66          2HB       LYS  66  -6.290  -8.685 -10.119
  501   1HG   LYS  66          1HG       LYS  66  -4.841  -7.509  -8.581
  502   2HG   LYS  66          2HG       LYS  66  -3.438  -7.886  -9.579
  503   1HD   LYS  66          1HD       LYS  66  -4.477  -6.631 -11.441
  504   2HD   LYS  66          2HD       LYS  66  -5.811  -6.198 -10.371
  505   1HE   LYS  66          1HE       LYS  66  -4.253  -4.367 -10.472
  506   2HE   LYS  66          2HE       LYS  66  -4.189  -5.092  -8.866
  507   1HZ   LYS  66          1HZ       LYS  66  -1.976  -4.786  -9.443
  508   2HZ   LYS  66          2HZ       LYS  66  -2.207  -5.272 -11.046
  509   3HZ   LYS  66          3HZ       LYS  66  -2.236  -6.418  -9.805
  510    H    ASN  67           H        ASN  67  -3.767  -9.003  -7.545
  511    HA   ASN  67           HA       ASN  67  -1.082  -9.571  -8.343
  512   1HB   ASN  67          1HB       ASN  67  -2.261  -8.278  -5.874
  513   2HB   ASN  67          2HB       ASN  67  -0.537  -8.378  -6.225
  514   1HD2  ASN  67          1HD2      ASN  67  -3.119  -6.413  -6.346
  515   2HD2  ASN  67          2HD2      ASN  67  -2.632  -5.349  -7.638
  516    H    GLU  68           H        GLU  68  -3.405 -11.377  -6.806
  517    HA   GLU  68           HA       GLU  68  -3.379 -13.348  -5.691
  518   1HB   GLU  68          1HB       GLU  68  -0.400 -13.265  -6.195
  519   2HB   GLU  68          2HB       GLU  68  -1.307 -14.667  -5.648
  520   1HG   GLU  68          1HG       GLU  68  -2.569 -14.674  -7.733
  521   2HG   GLU  68          2HG       GLU  68  -1.673 -13.260  -8.282
  522    H    VAL  69           H        VAL  69  -3.399 -11.001  -4.181
  523    HA   VAL  69           HA       VAL  69  -1.721 -11.739  -1.870
  524    HB   VAL  69           HB       VAL  69  -2.927  -9.041  -2.492
  525   1HG1  VAL  69          1HG1      VAL  69  -2.655  -9.590  -0.077
  526   2HG1  VAL  69          2HG1      VAL  69  -1.690  -8.218  -0.618
  527   3HG1  VAL  69          3HG1      VAL  69  -0.926  -9.789  -0.365
  528   1HG2  VAL  69          1HG2      VAL  69  -1.226  -9.106  -4.015
  529   2HG2  VAL  69          2HG2      VAL  69  -0.276 -10.253  -3.070
  530   3HG2  VAL  69          3HG2      VAL  69  -0.329  -8.555  -2.600
  531    H    SER  70           H        SER  70  -3.245 -13.266  -1.091
  532    HA   SER  70           HA       SER  70  -5.887 -12.276  -0.365
  533   1HB   SER  70          1HB       SER  70  -6.378 -14.582   0.282
  534   2HB   SER  70          2HB       SER  70  -5.700 -14.526  -1.354
  535    HG   SER  70           HG       SER  70  -4.246 -15.122   1.015
  536    H    ALA  71           H        ALA  71  -2.793 -12.813   1.059
  537    HA   ALA  71           HA       ALA  71  -3.437 -13.268   3.729
  538   1HB   ALA  71          1HB       ALA  71  -1.191 -13.422   3.496
  539   2HB   ALA  71          2HB       ALA  71  -1.243 -11.730   3.990
  540   3HB   ALA  71          3HB       ALA  71  -1.121 -12.145   2.281
  541    H    MET  72           H        MET  72  -2.613 -11.270   5.363
  542    HA   MET  72           HA       MET  72  -3.610  -8.727   4.678
  543   1HB   MET  72          1HB       MET  72  -5.608  -8.905   6.348
  544   2HB   MET  72          2HB       MET  72  -5.783  -9.416   4.678
  545   1HG   MET  72          1HG       MET  72  -6.825 -11.071   5.989
  546   2HG   MET  72          2HG       MET  72  -5.297 -11.758   5.448
  547   1HE   MET  72          1HE       MET  72  -5.163 -13.656   8.444
  548   2HE   MET  72          2HE       MET  72  -6.121 -13.452   6.977
  549   3HE   MET  72          3HE       MET  72  -6.817 -13.052   8.548
  550    HA   PRO  73           HA       PRO  73  -3.288  -6.934   5.048
  551   1HB   PRO  73          1HB       PRO  73  -1.552  -5.008   5.566
  552   2HB   PRO  73          2HB       PRO  73  -2.995  -5.201   6.585
  553   1HG   PRO  73          1HG       PRO  73  -0.192  -6.141   7.083
  554   2HG   PRO  73          2HG       PRO  73  -1.286  -5.284   8.177
  555   1HD   PRO  73          1HD       PRO  73  -0.934  -7.996   8.217
  556   2HD   PRO  73          2HD       PRO  73  -2.430  -7.187   8.734
  557    H    THR  74           H        THR  74  -1.652  -5.826   3.448
  558    HA   THR  74           HA       THR  74   0.828  -7.324   3.129
  559    HB   THR  74           HB       THR  74  -1.234  -7.200   0.925
  560    HG1  THR  74           HG1      THR  74  -0.473  -9.678   1.768
  561   1HG2  THR  74          1HG2      THR  74   0.353  -7.796  -0.494
  562   2HG2  THR  74          2HG2      THR  74   0.818  -9.152   0.533
  563   3HG2  THR  74          3HG2      THR  74   1.544  -7.567   0.784
  564    H    LEU  75           H        LEU  75   2.399  -6.204   1.970
  565    HA   LEU  75           HA       LEU  75   1.644  -3.453   1.250
  566   1HB   LEU  75          1HB       LEU  75   4.323  -4.555   2.085
  567   2HB   LEU  75          2HB       LEU  75   4.022  -2.893   1.611
  568    HG   LEU  75           HG       LEU  75   2.893  -4.298   4.030
  569   1HD1  LEU  75          1HD1      LEU  75   4.185  -2.206   5.012
  570   2HD1  LEU  75          2HD1      LEU  75   5.137  -2.427   3.544
  571   3HD1  LEU  75          3HD1      LEU  75   4.990  -3.745   4.706
  572   1HD2  LEU  75          1HD2      LEU  75   1.190  -2.841   3.353
  573   2HD2  LEU  75          2HD2      LEU  75   2.333  -1.602   2.835
  574   3HD2  LEU  75          3HD2      LEU  75   2.101  -1.927   4.552
  575    H    LEU  76           H        LEU  76   1.721  -2.869  -0.784
  576    HA   LEU  76           HA       LEU  76   3.398  -4.411  -2.652
  577   1HB   LEU  76          1HB       LEU  76   0.664  -3.198  -3.049
  578   2HB   LEU  76          2HB       LEU  76   1.676  -3.706  -4.397
  579    HG   LEU  76           HG       LEU  76   0.449  -5.436  -2.253
  580   1HD1  LEU  76          1HD1      LEU  76  -0.445  -4.630  -4.763
  581   2HD1  LEU  76          2HD1      LEU  76  -1.084  -5.943  -3.775
  582   3HD1  LEU  76          3HD1      LEU  76   0.146  -6.276  -4.996
  583   1HD2  LEU  76          1HD2      LEU  76   2.390  -6.594  -2.407
  584   2HD2  LEU  76          2HD2      LEU  76   2.797  -5.921  -3.985
  585   3HD2  LEU  76          3HD2      LEU  76   1.618  -7.226  -3.861
  586    H    LEU  77           H        LEU  77   4.898  -3.292  -3.724
  587    HA   LEU  77           HA       LEU  77   4.764  -0.354  -3.611
  588   1HB   LEU  77          1HB       LEU  77   7.147  -2.187  -3.857
  589   2HB   LEU  77          2HB       LEU  77   7.232  -0.439  -3.937
  590    HG   LEU  77           HG       LEU  77   6.348  -0.320  -1.621
  591   1HD1  LEU  77          1HD1      LEU  77   6.300  -3.274  -1.973
  592   2HD1  LEU  77          2HD1      LEU  77   5.145  -2.212  -1.169
  593   3HD1  LEU  77          3HD1      LEU  77   6.672  -2.610  -0.383
  594   1HD2  LEU  77          1HD2      LEU  77   8.398  -0.877  -0.554
  595   2HD2  LEU  77          2HD2      LEU  77   8.792  -0.344  -2.188
  596   3HD2  LEU  77          3HD2      LEU  77   8.796  -2.063  -1.797
  597    H    PHE  78           H        PHE  78   4.790   0.828  -5.420
  598    HA   PHE  78           HA       PHE  78   5.344  -0.498  -7.990
  599   1HB   PHE  78          1HB       PHE  78   3.032   1.386  -7.474
  600   2HB   PHE  78          2HB       PHE  78   3.389   0.542  -8.978
  601    HD1  PHE  78           HD1      PHE  78   3.433  -2.061  -8.838
  602    HD2  PHE  78           HD2      PHE  78   1.551   0.462  -5.973
  603    HE1  PHE  78           HE1      PHE  78   2.043  -3.950  -8.092
  604    HE2  PHE  78           HE2      PHE  78   0.160  -1.425  -5.223
  605    HZ   PHE  78           HZ       PHE  78   0.398  -3.628  -6.282
  606    H    LYS  79           H        LYS  79   6.724   0.644  -9.255
  607    HA   LYS  79           HA       LYS  79   7.179   3.478  -8.557
  608   1HB   LYS  79          1HB       LYS  79   8.987   1.317  -9.554
  609   2HB   LYS  79          2HB       LYS  79   9.361   2.987  -9.950
  610   1HG   LYS  79          1HG       LYS  79   8.967   1.955  -7.149
  611   2HG   LYS  79          2HG       LYS  79  10.533   2.141  -7.938
  612   1HD   LYS  79          1HD       LYS  79   8.545   4.340  -7.367
  613   2HD   LYS  79          2HD       LYS  79  10.058   4.049  -6.507
  614   1HE   LYS  79          1HE       LYS  79   9.767   4.808  -9.411
  615   2HE   LYS  79          2HE       LYS  79  10.322   5.855  -8.107
  616   1HZ   LYS  79          1HZ       LYS  79  12.227   4.409  -7.795
  617   2HZ   LYS  79          2HZ       LYS  79  12.169   4.970  -9.390
  618   3HZ   LYS  79          3HZ       LYS  79  11.691   3.388  -9.032
  619    H    ASN  80           H        ASN  80   6.696   5.022 -10.001
  620    HA   ASN  80           HA       ASN  80   5.791   5.962 -11.879
  621   1HB   ASN  80          1HB       ASN  80   7.949   4.253 -13.129
  622   2HB   ASN  80          2HB       ASN  80   7.157   5.616 -13.911
  623   1HD2  ASN  80          1HD2      ASN  80   8.318   7.384 -13.889
  624   2HD2  ASN  80          2HD2      ASN  80   9.421   7.872 -12.651
  625    H    GLY  81           H        GLY  81   3.990   4.210 -11.220
  626   1HA   GLY  81          1HA       GLY  81   2.240   2.965 -11.997
  627   2HA   GLY  81          2HA       GLY  81   2.710   3.494 -13.605
  628    H    LYS  82           H        LYS  82   5.167   1.845 -11.926
  629    HA   LYS  82           HA       LYS  82   4.594  -0.598 -13.465
  630   1HB   LYS  82          1HB       LYS  82   7.281   0.405 -12.509
  631   2HB   LYS  82          2HB       LYS  82   6.991  -0.998 -13.526
  632   1HG   LYS  82          1HG       LYS  82   6.456   1.864 -14.276
  633   2HG   LYS  82          2HG       LYS  82   7.801   0.872 -14.834
  634   1HD   LYS  82          1HD       LYS  82   6.223  -0.665 -15.901
  635   2HD   LYS  82          2HD       LYS  82   4.875   0.325 -15.336
  636   1HE   LYS  82          1HE       LYS  82   5.401   0.806 -17.669
  637   2HE   LYS  82          2HE       LYS  82   5.700   2.211 -16.648
  638   1HZ   LYS  82          1HZ       LYS  82   7.908   2.120 -17.014
  639   2HZ   LYS  82          2HZ       LYS  82   7.443   1.320 -18.429
  640   3HZ   LYS  82          3HZ       LYS  82   7.959   0.430 -17.087
  641    H    GLU  83           H        GLU  83   6.687  -2.045 -12.081
  642    HA   GLU  83           HA       GLU  83   5.277  -2.538  -9.548
  643   1HB   GLU  83          1HB       GLU  83   5.258  -4.400 -11.176
  644   2HB   GLU  83          2HB       GLU  83   7.014  -4.394 -11.197
  645   1HG   GLU  83          1HG       GLU  83   7.095  -5.099  -8.903
  646   2HG   GLU  83          2HG       GLU  83   5.341  -4.963  -8.761
  647    H    VAL  84           H        VAL  84   6.833  -3.552  -7.846
  648    HA   VAL  84           HA       VAL  84   9.498  -2.403  -7.972
  649    HB   VAL  84           HB       VAL  84   7.647  -1.854  -5.733
  650   1HG1  VAL  84          1HG1      VAL  84  10.432  -1.991  -5.728
  651   2HG1  VAL  84          2HG1      VAL  84   9.392  -1.323  -4.468
  652   3HG1  VAL  84          3HG1      VAL  84  10.032  -0.272  -5.731
  653   1HG2  VAL  84          1HG2      VAL  84   7.191  -0.557  -7.791
  654   2HG2  VAL  84          2HG2      VAL  84   8.827   0.084  -7.691
  655   3HG2  VAL  84          3HG2      VAL  84   7.659   0.440  -6.419
  656    H    ALA  85           H        ALA  85   7.416  -3.867  -5.490
  657    HA   ALA  85           HA       ALA  85   8.818  -6.337  -5.490
  658   1HB   ALA  85          1HB       ALA  85   9.755  -4.213  -3.651
  659   2HB   ALA  85          2HB       ALA  85  10.644  -5.532  -4.410
  660   3HB   ALA  85          3HB       ALA  85   9.628  -5.849  -3.004
  661    H    LYS  86           H        LYS  86   8.134  -7.771  -3.734
  662    HA   LYS  86           HA       LYS  86   5.502  -6.992  -2.664
  663   1HB   LYS  86          1HB       LYS  86   6.488  -9.641  -3.702
  664   2HB   LYS  86          2HB       LYS  86   5.060  -9.508  -2.682
  665   1HG   LYS  86          1HG       LYS  86   3.992  -8.085  -4.300
  666   2HG   LYS  86          2HG       LYS  86   5.436  -8.108  -5.313
  667   1HD   LYS  86          1HD       LYS  86   5.189 -10.535  -5.591
  668   2HD   LYS  86          2HD       LYS  86   3.734 -10.496  -4.593
  669   1HE   LYS  86          1HE       LYS  86   2.655  -9.028  -6.222
  670   2HE   LYS  86          2HE       LYS  86   4.111  -9.053  -7.214
  671   1HZ   LYS  86          1HZ       LYS  86   3.213 -11.688  -6.613
  672   2HZ   LYS  86          2HZ       LYS  86   3.501 -10.971  -8.117
  673   3HZ   LYS  86          3HZ       LYS  86   1.995 -10.790  -7.368
  674    H    VAL  87           H        VAL  87   5.231  -7.064  -0.537
  675    HA   VAL  87           HA       VAL  87   6.763  -8.889   1.076
  676    HB   VAL  87           HB       VAL  87   7.054  -5.918   1.543
  677   1HG1  VAL  87          1HG1      VAL  87   7.152  -6.807   3.665
  678   2HG1  VAL  87          2HG1      VAL  87   8.846  -6.875   3.180
  679   3HG1  VAL  87          3HG1      VAL  87   7.849  -8.329   3.111
  680   1HG2  VAL  87          1HG2      VAL  87   9.468  -6.364   1.071
  681   2HG2  VAL  87          2HG2      VAL  87   8.409  -6.533  -0.327
  682   3HG2  VAL  87          3HG2      VAL  87   9.004  -7.969   0.507
  683    H    VAL  88           H        VAL  88   4.608  -9.653   1.449
  684    HA   VAL  88           HA       VAL  88   2.537  -8.098   2.532
  685    HB   VAL  88           HB       VAL  88   2.069 -10.278   1.586
  686   1HG1  VAL  88          1HG1      VAL  88   3.099 -12.203   2.146
  687   2HG1  VAL  88          2HG1      VAL  88   3.118 -11.817   3.867
  688   3HG1  VAL  88          3HG1      VAL  88   4.337 -11.129   2.794
  689   1HG2  VAL  88          1HG2      VAL  88   1.485 -10.383   4.543
  690   2HG2  VAL  88          2HG2      VAL  88   0.564 -11.131   3.239
  691   3HG2  VAL  88          3HG2      VAL  88   0.609  -9.376   3.392
  692    H    GLY  89           H        GLY  89   3.510  -6.769   4.136
  693   1HA   GLY  89          1HA       GLY  89   3.104  -7.407   6.746
  694   2HA   GLY  89          2HA       GLY  89   4.746  -7.959   6.453
  695    H    ALA  90           H        ALA  90   2.841  -5.362   7.366
  696    HA   ALA  90           HA       ALA  90   4.871  -3.369   6.635
  697   1HB   ALA  90          1HB       ALA  90   3.260  -1.726   6.861
  698   2HB   ALA  90          2HB       ALA  90   2.280  -2.691   7.965
  699   3HB   ALA  90          3HB       ALA  90   2.319  -3.086   6.247
  700    H    ASN  91           H        ASN  91   5.549  -5.242   8.622
  701    HA   ASN  91           HA       ASN  91   5.181  -4.028  11.210
  702   1HB   ASN  91          1HB       ASN  91   5.402  -6.471  10.978
  703   2HB   ASN  91          2HB       ASN  91   7.029  -6.265  10.337
  704   1HD2  ASN  91          1HD2      ASN  91   8.558  -6.640  11.751
  705   2HD2  ASN  91          2HD2      ASN  91   8.466  -6.372  13.456
  706    HA   PRO  92           HA       PRO  92   8.318  -0.886  10.985
  707   1HB   PRO  92          1HB       PRO  92   8.791  -1.870  13.777
  708   2HB   PRO  92          2HB       PRO  92   8.688  -0.208  13.176
  709   1HG   PRO  92          1HG       PRO  92   6.611  -1.283  14.407
  710   2HG   PRO  92          2HG       PRO  92   6.372  -0.299  12.950
  711   1HD   PRO  92          1HD       PRO  92   6.217  -3.256  13.284
  712   2HD   PRO  92          2HD       PRO  92   5.296  -2.190  12.203
  713    H    ALA  93           H        ALA  93   9.638  -2.108   9.493
  714    HA   ALA  93           HA       ALA  93  12.247  -2.521  10.288
  715   1HB   ALA  93          1HB       ALA  93  11.758  -4.408  11.568
  716   2HB   ALA  93          2HB       ALA  93  12.325  -5.076  10.037
  717   3HB   ALA  93          3HB       ALA  93  10.598  -5.023  10.391
  718    H    ALA  94           H        ALA  94   9.693  -3.642   8.117
  719    HA   ALA  94           HA       ALA  94  11.638  -3.558   5.911
  720   1HB   ALA  94          1HB       ALA  94  10.687  -5.364   4.936
  721   2HB   ALA  94          2HB       ALA  94   9.064  -4.933   5.474
  722   3HB   ALA  94          3HB       ALA  94  10.187  -5.705   6.593
  723    H    ILE  95           H        ILE  95   8.270  -2.797   6.749
  724    HA   ILE  95           HA       ILE  95   7.527  -1.525   4.408
  725    HB   ILE  95           HB       ILE  95   5.918  -1.963   6.141
  726   1HG1  ILE  95          1HG1      ILE  95   4.715   0.151   6.218
  727   2HG1  ILE  95          2HG1      ILE  95   6.183   1.032   5.806
  728   1HG2  ILE  95          1HG2      ILE  95   6.065  -0.158   8.119
  729   2HG2  ILE  95          2HG2      ILE  95   7.782  -0.376   7.780
  730   3HG2  ILE  95          3HG2      ILE  95   6.786  -1.766   8.212
  731   1HD1  ILE  95          1HD1      ILE  95   4.310  -0.439   4.097
  732   2HD1  ILE  95          2HD1      ILE  95   6.016  -0.676   3.719
  733   3HD1  ILE  95          3HD1      ILE  95   5.336   0.949   3.735
  734    H    LYS  96           H        LYS  96   9.927  -0.580   6.648
  735    HA   LYS  96           HA       LYS  96   9.813   2.240   5.907
  736   1HB   LYS  96          1HB       LYS  96  11.718   0.754   7.723
  737   2HB   LYS  96          2HB       LYS  96  11.691   2.497   7.491
  738   1HG   LYS  96          1HG       LYS  96   9.377   2.527   8.375
  739   2HG   LYS  96          2HG       LYS  96   9.525   0.803   8.714
  740   1HD   LYS  96          1HD       LYS  96  11.308   2.954   9.856
  741   2HD   LYS  96          2HD       LYS  96   9.943   2.222  10.698
  742   1HE   LYS  96          1HE       LYS  96  11.874   1.113  11.484
  743   2HE   LYS  96          2HE       LYS  96  11.086  -0.002  10.371
  744   1HZ   LYS  96          1HZ       LYS  96  12.869  -0.020   9.066
  745   2HZ   LYS  96          2HZ       LYS  96  13.701   0.784  10.298
  746   3HZ   LYS  96          3HZ       LYS  96  12.988   1.669   9.047
  747    H    GLN  97           H        GLN  97  12.368  -0.243   5.981
  748    HA   GLN  97           HA       GLN  97  14.137   1.082   4.277
  749   1HB   GLN  97          1HB       GLN  97  13.829  -1.902   4.662
  750   2HB   GLN  97          2HB       GLN  97  15.248  -1.083   4.022
  751   1HG   GLN  97          1HG       GLN  97  15.617   0.007   6.151
  752   2HG   GLN  97          2HG       GLN  97  14.149  -0.722   6.801
  753   1HE2  GLN  97          1HE2      GLN  97  17.378  -0.944   6.846
  754   2HE2  GLN  97          2HE2      GLN  97  17.572  -2.628   7.177
  755    H    ALA  98           H        ALA  98  11.419  -1.019   3.600
  756    HA   ALA  98           HA       ALA  98  11.951  -1.588   0.907
  757   1HB   ALA  98          1HB       ALA  98  10.184  -2.624   2.405
  758   2HB   ALA  98          2HB       ALA  98   9.709  -2.293   0.740
  759   3HB   ALA  98          3HB       ALA  98   9.190  -1.215   2.036
  760    H    ILE  99           H        ILE  99  10.654   1.241   2.470
  761    HA   ILE  99           HA       ILE  99   9.842   2.451  -0.048
  762    HB   ILE  99           HB       ILE  99   9.779   3.561   2.764
  763   1HG1  ILE  99          1HG1      ILE  99   7.588   2.393   1.033
  764   2HG1  ILE  99          2HG1      ILE  99   8.288   1.638   2.461
  765   1HG2  ILE  99          1HG2      ILE  99   9.834   5.420   1.321
  766   2HG2  ILE  99          2HG2      ILE  99   8.126   5.175   1.688
  767   3HG2  ILE  99          3HG2      ILE  99   8.781   4.640   0.140
  768   1HD1  ILE  99          1HD1      ILE  99   7.431   3.485   3.829
  769   2HD1  ILE  99          2HD1      ILE  99   6.147   2.621   2.982
  770   3HD1  ILE  99          3HD1      ILE  99   6.695   4.190   2.390
  771    H    ALA 100           H        ALA 100  12.691   2.155   1.686
  772    HA   ALA 100           HA       ALA 100  13.724   4.792   1.023
  773   1HB   ALA 100          1HB       ALA 100  15.866   3.530   2.016
  774   2HB   ALA 100          2HB       ALA 100  14.592   2.548   2.739
  775   3HB   ALA 100          3HB       ALA 100  14.638   4.286   3.031
  776    H    ALA 101           H        ALA 101  15.157   1.560   0.631
  777    HA   ALA 101           HA       ALA 101  16.898   2.190  -1.415
  778   1HB   ALA 101          1HB       ALA 101  17.344   0.136  -0.520
  779   2HB   ALA 101          2HB       ALA 101  16.527  -0.353  -2.004
  780   3HB   ALA 101          3HB       ALA 101  15.646  -0.338  -0.477
  781    H    ASN 102           H        ASN 102  13.473   1.475  -1.588
  782    HA   ASN 102           HA       ASN 102  13.456   1.164  -4.442
  783   1HB   ASN 102          1HB       ASN 102  11.263   1.446  -2.382
  784   2HB   ASN 102          2HB       ASN 102  10.976   1.172  -4.098
  785   1HD2  ASN 102          1HD2      ASN 102  13.743  -0.473  -3.460
  786   2HD2  ASN 102          2HD2      ASN 102  13.078  -2.015  -3.068
  787    H    ALA 103           H        ALA 103  12.173   3.595  -2.168
  788    HA   ALA 103           HA       ALA 103  11.523   5.431  -4.273
  789   1HB   ALA 103          1HB       ALA 103  10.455   5.172  -1.912
  790   2HB   ALA 103          2HB       ALA 103  10.594   6.771  -2.642
  791   3HB   ALA 103          3HB       ALA 103  11.748   6.259  -1.411
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1   0.745  12.994   3.150
    2   2H    MET   1          2H        MET   1   1.022  11.399   2.580
    3   3H    MET   1          3H        MET   1   0.898  11.699   4.264
    4    HA   MET   1           HA       MET   1  -1.342  12.127   4.153
    5   1HB   MET   1          1HB       MET   1  -1.185  13.560   2.148
    6   2HB   MET   1          2HB       MET   1  -0.996  12.128   1.145
    7   1HG   MET   1          1HG       MET   1  -3.256  12.958   1.015
    8   2HG   MET   1          2HG       MET   1  -3.228  11.379   1.796
    9   1HE   MET   1          1HE       MET   1  -5.640  13.014   1.767
   10   2HE   MET   1          2HE       MET   1  -6.183  13.502   3.373
   11   3HE   MET   1          3HE       MET   1  -5.814  11.808   3.043
   12    H    VAL   2           H        VAL   2  -3.095  10.576   3.685
   13    HA   VAL   2           HA       VAL   2  -2.268   8.016   2.574
   14    HB   VAL   2           HB       VAL   2  -1.627   7.966   4.982
   15   1HG1  VAL   2          1HG1      VAL   2  -3.488   7.733   6.639
   16   2HG1  VAL   2          2HG1      VAL   2  -4.587   8.324   5.394
   17   3HG1  VAL   2          3HG1      VAL   2  -3.281   9.355   5.979
   18   1HG2  VAL   2          1HG2      VAL   2  -2.012   5.772   5.015
   19   2HG2  VAL   2          2HG2      VAL   2  -2.830   6.025   3.472
   20   3HG2  VAL   2          3HG2      VAL   2  -3.763   5.985   4.969
   21    H    THR   3           H        THR   3  -3.946   6.932   1.624
   22    HA   THR   3           HA       THR   3  -6.684   7.577   2.362
   23    HB   THR   3           HB       THR   3  -5.634   8.051  -0.434
   24    HG1  THR   3           HG1      THR   3  -5.444  10.025   0.193
   25   1HG2  THR   3          1HG2      THR   3  -7.869   7.205  -0.605
   26   2HG2  THR   3          2HG2      THR   3  -7.888   8.944  -0.894
   27   3HG2  THR   3          3HG2      THR   3  -8.424   8.303   0.657
   28    H    GLN   4           H        GLN   4  -8.242   6.124   1.574
   29    HA   GLN   4           HA       GLN   4  -7.200   3.455   1.006
   30   1HB   GLN   4          1HB       GLN   4 -10.078   4.291   1.399
   31   2HB   GLN   4          2HB       GLN   4  -9.399   2.681   1.572
   32   1HG   GLN   4          1HG       GLN   4  -8.500   4.917   3.344
   33   2HG   GLN   4          2HG       GLN   4  -9.985   4.031   3.683
   34   1HE2  GLN   4          1HE2      GLN   4  -9.682   2.571   5.186
   35   2HE2  GLN   4          2HE2      GLN   4  -8.285   1.574   5.382
   36    H    PHE   5           H        PHE   5  -8.202   2.139  -0.737
   37    HA   PHE   5           HA       PHE   5  -9.106   3.833  -2.976
   38   1HB   PHE   5          1HB       PHE   5  -7.396   1.348  -3.022
   39   2HB   PHE   5          2HB       PHE   5  -8.184   1.996  -4.466
   40    HD1  PHE   5           HD1      PHE   5  -7.755   4.963  -3.580
   41    HD2  PHE   5           HD2      PHE   5  -5.188   1.578  -3.903
   42    HE1  PHE   5           HE1      PHE   5  -5.845   6.458  -4.002
   43    HE2  PHE   5           HE2      PHE   5  -3.277   3.071  -4.323
   44    HZ   PHE   5           HZ       PHE   5  -3.605   5.508  -4.376
   45    H    LYS   6           H        LYS   6 -11.277   3.634  -2.877
   46    HA   LYS   6           HA       LYS   6 -12.510   1.034  -2.498
   47   1HB   LYS   6          1HB       LYS   6 -13.588   3.826  -2.806
   48   2HB   LYS   6          2HB       LYS   6 -14.648   2.425  -2.873
   49   1HG   LYS   6          1HG       LYS   6 -12.840   3.096  -0.561
   50   2HG   LYS   6          2HG       LYS   6 -14.559   3.485  -0.649
   51   1HD   LYS   6          1HD       LYS   6 -15.096   1.107  -0.830
   52   2HD   LYS   6          2HD       LYS   6 -13.379   0.706  -0.772
   53   1HE   LYS   6          1HE       LYS   6 -14.431   0.379   1.403
   54   2HE   LYS   6          2HE       LYS   6 -13.227   1.666   1.469
   55   1HZ   LYS   6          1HZ       LYS   6 -16.112   2.209   1.077
   56   2HZ   LYS   6          2HZ       LYS   6 -14.896   3.299   1.518
   57   3HZ   LYS   6          3HZ       LYS   6 -15.407   2.117   2.614
   58    H    THR   7           H        THR   7 -11.723   3.210  -5.090
   59    HA   THR   7           HA       THR   7 -12.928   1.304  -6.982
   60    HB   THR   7           HB       THR   7 -13.404   3.205  -8.496
   61    HG1  THR   7           HG1      THR   7 -12.452   4.702  -6.298
   62   1HG2  THR   7          1HG2      THR   7 -14.668   3.603  -5.796
   63   2HG2  THR   7          2HG2      THR   7 -15.188   2.427  -7.003
   64   3HG2  THR   7          3HG2      THR   7 -15.296   4.153  -7.348
   65    H    ALA   8           H        ALA   8 -11.490   0.434  -8.320
   66    HA   ALA   8           HA       ALA   8  -8.776   0.909  -8.243
   67   1HB   ALA   8          1HB       ALA   8 -10.522  -0.356 -10.327
   68   2HB   ALA   8          2HB       ALA   8  -9.425  -1.127  -9.181
   69   3HB   ALA   8          3HB       ALA   8  -8.778  -0.224 -10.551
   70    H    SER   9           H        SER   9 -11.211   2.650  -9.972
   71    HA   SER   9           HA       SER   9  -9.646   3.835 -11.971
   72   1HB   SER   9          1HB       SER   9 -12.039   4.967 -10.497
   73   2HB   SER   9          2HB       SER   9 -11.381   5.600 -12.007
   74    HG   SER   9           HG       SER   9 -12.711   3.163 -11.531
   75    H    GLU  10           H        GLU  10  -9.637   4.258  -8.572
   76    HA   GLU  10           HA       GLU  10  -8.432   6.881  -8.692
   77   1HB   GLU  10          1HB       GLU  10  -9.099   5.105  -6.351
   78   2HB   GLU  10          2HB       GLU  10  -8.405   6.714  -6.208
   79   1HG   GLU  10          1HG       GLU  10 -10.378   7.670  -7.270
   80   2HG   GLU  10          2HG       GLU  10 -11.072   6.058  -7.437
   81    H    PHE  11           H        PHE  11  -7.579   3.599  -7.873
   82    HA   PHE  11           HA       PHE  11  -4.904   4.213  -7.101
   83   1HB   PHE  11          1HB       PHE  11  -6.218   2.228  -6.291
   84   2HB   PHE  11          2HB       PHE  11  -6.030   1.525  -7.891
   85    HD1  PHE  11           HD1      PHE  11  -5.112  -0.317  -6.269
   86    HD2  PHE  11           HD2      PHE  11  -3.124   3.351  -7.114
   87    HE1  PHE  11           HE1      PHE  11  -2.975  -1.312  -5.562
   88    HE2  PHE  11           HE2      PHE  11  -0.988   2.358  -6.418
   89    HZ   PHE  11           HZ       PHE  11  -0.914   0.028  -5.641
   90    H    ASP  12           H        ASP  12  -6.511   3.302 -10.062
   91    HA   ASP  12           HA       ASP  12  -4.384   2.390 -11.589
   92   1HB   ASP  12          1HB       ASP  12  -6.717   2.319 -12.348
   93   2HB   ASP  12          2HB       ASP  12  -6.731   4.074 -12.495
   94    H    SER  13           H        SER  13  -5.530   5.739 -11.204
   95    HA   SER  13           HA       SER  13  -3.459   6.852 -12.814
   96   1HB   SER  13          1HB       SER  13  -5.277   8.175 -10.787
   97   2HB   SER  13          2HB       SER  13  -4.260   9.025 -11.951
   98    HG   SER  13           HG       SER  13  -5.457   7.923 -13.608
   99    H    ALA  14           H        ALA  14  -3.722   5.968  -9.475
  100    HA   ALA  14           HA       ALA  14  -1.812   7.619  -8.307
  101   1HB   ALA  14          1HB       ALA  14  -3.284   5.307  -7.572
  102   2HB   ALA  14          2HB       ALA  14  -2.454   6.461  -6.528
  103   3HB   ALA  14          3HB       ALA  14  -1.596   5.043  -7.131
  104    H    ILE  15           H        ILE  15  -1.230   4.220  -9.220
  105    HA   ILE  15           HA       ILE  15   1.534   4.287  -9.038
  106    HB   ILE  15           HB       ILE  15   1.565   2.305 -10.484
  107   1HG1  ILE  15          1HG1      ILE  15  -1.372   2.935 -10.864
  108   2HG1  ILE  15          2HG1      ILE  15  -0.131   2.905 -12.113
  109   1HG2  ILE  15          1HG2      ILE  15   0.962   2.225  -8.057
  110   2HG2  ILE  15          2HG2      ILE  15   0.356   0.875  -9.015
  111   3HG2  ILE  15          3HG2      ILE  15  -0.732   2.180  -8.545
  112   1HD1  ILE  15          1HD1      ILE  15  -0.950   0.501 -10.510
  113   2HD1  ILE  15          2HD1      ILE  15   0.100   0.542 -11.926
  114   3HD1  ILE  15          3HD1      ILE  15  -1.616   0.920 -12.088
  115    H    ALA  16           H        ALA  16  -0.453   4.793 -11.946
  116    HA   ALA  16           HA       ALA  16   1.460   5.036 -13.851
  117   1HB   ALA  16          1HB       ALA  16  -0.584   5.282 -14.787
  118   2HB   ALA  16          2HB       ALA  16  -0.150   6.989 -14.701
  119   3HB   ALA  16          3HB       ALA  16  -1.191   6.280 -13.467
  120    H    GLN  17           H        GLN  17   3.385   5.934 -13.413
  121    HA   GLN  17           HA       GLN  17   4.968   7.482 -12.873
  122   1HB   GLN  17          1HB       GLN  17   2.994   9.150 -14.431
  123   2HB   GLN  17          2HB       GLN  17   4.640   9.649 -14.060
  124   1HG   GLN  17          1HG       GLN  17   4.001   7.118 -15.533
  125   2HG   GLN  17          2HG       GLN  17   4.253   8.663 -16.351
  126   1HE2  GLN  17          1HE2      GLN  17   5.707   5.873 -15.579
  127   2HE2  GLN  17          2HE2      GLN  17   7.354   6.387 -15.505
  128    H    ASP  18           H        ASP  18   4.794   7.571 -10.618
  129    HA   ASP  18           HA       ASP  18   4.141  10.114  -9.569
  130   1HB   ASP  18          1HB       ASP  18   1.854   9.180  -9.759
  131   2HB   ASP  18          2HB       ASP  18   2.332   7.849  -8.711
  132    H    LYS  19           H        LYS  19   6.427   8.474  -9.560
  133    HA   LYS  19           HA       LYS  19   8.102   7.850  -8.148
  134   1HB   LYS  19          1HB       LYS  19   6.265   9.051  -6.090
  135   2HB   LYS  19          2HB       LYS  19   7.935   8.610  -5.789
  136   1HG   LYS  19          1HG       LYS  19   7.896  10.941  -6.128
  137   2HG   LYS  19          2HG       LYS  19   8.588  10.226  -7.584
  138   1HD   LYS  19          1HD       LYS  19   6.514  10.493  -8.769
  139   2HD   LYS  19          2HD       LYS  19   5.694  11.026  -7.300
  140   1HE   LYS  19          1HE       LYS  19   6.238  12.916  -8.741
  141   2HE   LYS  19          2HE       LYS  19   7.126  13.003  -7.221
  142   1HZ   LYS  19          1HZ       LYS  19   9.100  12.634  -8.245
  143   2HZ   LYS  19          2HZ       LYS  19   8.293  13.361  -9.541
  144   3HZ   LYS  19          3HZ       LYS  19   8.434  11.677  -9.471
  145    H    LEU  20           H        LEU  20   7.790   6.887  -5.447
  146    HA   LEU  20           HA       LEU  20   6.754   4.238  -6.088
  147   1HB   LEU  20          1HB       LEU  20   9.024   4.307  -5.273
  148   2HB   LEU  20          2HB       LEU  20   8.527   5.243  -3.863
  149    HG   LEU  20           HG       LEU  20   7.172   3.271  -3.124
  150   1HD1  LEU  20          1HD1      LEU  20   8.673   1.361  -4.711
  151   2HD1  LEU  20          2HD1      LEU  20   7.601   2.362  -5.691
  152   3HD1  LEU  20          3HD1      LEU  20   6.950   1.426  -4.345
  153   1HD2  LEU  20          1HD2      LEU  20  10.152   3.125  -3.419
  154   2HD2  LEU  20          2HD2      LEU  20   9.251   1.881  -2.555
  155   3HD2  LEU  20          3HD2      LEU  20   9.197   3.554  -2.001
  156    H    VAL  21           H        VAL  21   4.769   3.777  -5.489
  157    HA   VAL  21           HA       VAL  21   3.620   5.116  -3.142
  158    HB   VAL  21           HB       VAL  21   2.188   3.670  -5.377
  159   1HG1  VAL  21          1HG1      VAL  21   1.008   5.497  -3.300
  160   2HG1  VAL  21          2HG1      VAL  21   1.064   3.744  -3.121
  161   3HG1  VAL  21          3HG1      VAL  21   0.159   4.466  -4.452
  162   1HG2  VAL  21          1HG2      VAL  21   1.437   6.246  -5.624
  163   2HG2  VAL  21          2HG2      VAL  21   2.772   5.523  -6.523
  164   3HG2  VAL  21          3HG2      VAL  21   3.096   6.455  -5.061
  165    H    VAL  22           H        VAL  22   3.167   3.986  -1.367
  166    HA   VAL  22           HA       VAL  22   3.495   1.073  -1.449
  167    HB   VAL  22           HB       VAL  22   3.367   2.886   0.965
  168   1HG1  VAL  22          1HG1      VAL  22   2.830   0.808   1.794
  169   2HG1  VAL  22          2HG1      VAL  22   4.588   0.784   1.928
  170   3HG1  VAL  22          3HG1      VAL  22   3.794  -0.043   0.586
  171   1HG2  VAL  22          1HG2      VAL  22   5.607   3.182   0.899
  172   2HG2  VAL  22          2HG2      VAL  22   5.364   2.929  -0.830
  173   3HG2  VAL  22          3HG2      VAL  22   5.905   1.594   0.190
  174    H    VAL  23           H        VAL  23   1.529   0.309  -2.109
  175    HA   VAL  23           HA       VAL  23  -0.849   1.217  -0.665
  176    HB   VAL  23           HB       VAL  23  -0.707  -0.507  -3.139
  177   1HG1  VAL  23          1HG1      VAL  23  -3.057   0.991  -1.998
  178   2HG1  VAL  23          2HG1      VAL  23  -2.751  -0.721  -1.708
  179   3HG1  VAL  23          3HG1      VAL  23  -3.055  -0.145  -3.348
  180   1HG2  VAL  23          1HG2      VAL  23  -1.775   1.888  -3.901
  181   2HG2  VAL  23          2HG2      VAL  23  -0.096   1.404  -4.139
  182   3HG2  VAL  23          3HG2      VAL  23  -0.542   2.388  -2.746
  183    H    ASP  24           H        ASP  24  -1.851  -0.006   0.777
  184    HA   ASP  24           HA       ASP  24  -0.892  -2.739   1.216
  185   1HB   ASP  24          1HB       ASP  24  -0.755  -1.276   3.152
  186   2HB   ASP  24          2HB       ASP  24  -2.463  -0.847   2.990
  187    H    PHE  25           H        PHE  25  -2.160  -4.463   0.824
  188    HA   PHE  25           HA       PHE  25  -4.879  -3.981  -0.107
  189   1HB   PHE  25          1HB       PHE  25  -2.916  -6.248  -0.418
  190   2HB   PHE  25          2HB       PHE  25  -4.607  -6.399  -0.889
  191    HD1  PHE  25           HD1      PHE  25  -2.053  -3.698  -1.342
  192    HD2  PHE  25           HD2      PHE  25  -4.813  -6.385  -3.144
  193    HE1  PHE  25           HE1      PHE  25  -1.487  -2.783  -3.552
  194    HE2  PHE  25           HE2      PHE  25  -4.270  -5.462  -5.350
  195    HZ   PHE  25           HZ       PHE  25  -2.611  -3.656  -5.563
  196    H    TYR  26           H        TYR  26  -4.778  -3.696   2.554
  197    HA   TYR  26           HA       TYR  26  -4.977  -5.895   4.201
  198   1HB   TYR  26          1HB       TYR  26  -6.585  -4.424   5.551
  199   2HB   TYR  26          2HB       TYR  26  -4.974  -3.784   5.245
  200    HD1  TYR  26           HD1      TYR  26  -8.275  -3.795   3.467
  201    HD2  TYR  26           HD2      TYR  26  -4.919  -1.523   4.760
  202    HE1  TYR  26           HE1      TYR  26  -9.257  -1.783   2.476
  203    HE2  TYR  26           HE2      TYR  26  -5.906   0.497   3.805
  204    HH   TYR  26           HH       TYR  26  -8.130   0.564   1.570
  205    H    ALA  27           H        ALA  27  -6.498  -7.410   4.658
  206    HA   ALA  27           HA       ALA  27  -8.416  -8.043   2.710
  207   1HB   ALA  27          1HB       ALA  27  -7.842  -9.918   3.848
  208   2HB   ALA  27          2HB       ALA  27  -9.297  -9.505   4.754
  209   3HB   ALA  27          3HB       ALA  27  -7.711  -9.074   5.390
  210    H    THR  28           H        THR  28 -10.687  -8.009   2.774
  211    HA   THR  28           HA       THR  28 -11.761  -5.646   3.995
  212    HB   THR  28           HB       THR  28 -12.488  -6.206   1.777
  213    HG1  THR  28           HG1      THR  28 -14.775  -6.307   2.159
  214   1HG2  THR  28          1HG2      THR  28 -13.465  -8.797   2.945
  215   2HG2  THR  28          2HG2      THR  28 -12.247  -8.576   1.689
  216   3HG2  THR  28          3HG2      THR  28 -13.934  -8.180   1.360
  217    H    TRP  29           H        TRP  29 -11.654  -9.002   4.771
  218    HA   TRP  29           HA       TRP  29 -13.774  -8.691   6.775
  219   1HB   TRP  29          1HB       TRP  29 -13.478 -11.249   6.950
  220   2HB   TRP  29          2HB       TRP  29 -14.249 -10.595   5.497
  221    HD1  TRP  29           HD1      TRP  29 -12.816 -10.666   3.214
  222    HE1  TRP  29           HE1      TRP  29 -10.819 -12.124   2.503
  223    HE3  TRP  29           HE3      TRP  29 -11.396 -12.384   7.810
  224    HZ2  TRP  29           HZ2      TRP  29  -8.887 -13.771   3.730
  225    HZ3  TRP  29           HZ3      TRP  29  -9.458 -13.883   7.960
  226    HH2  TRP  29           HH2      TRP  29  -8.226 -14.564   5.961
  227    H    CYS  30           H        CYS  30 -10.360  -9.495   6.414
  228    HA   CYS  30           HA       CYS  30  -9.606 -10.550   8.776
  229   1HB   CYS  30          1HB       CYS  30  -7.987  -9.954   7.060
  230   2HB   CYS  30          2HB       CYS  30  -8.246  -8.239   7.368
  231    HG   CYS  30           HG       CYS  30  -7.120  -9.869   9.722
  232    H    GLY  31           H        GLY  31  -8.818  -9.697  10.809
  233   1HA   GLY  31          1HA       GLY  31 -10.584  -7.627  11.829
  234   2HA   GLY  31          2HA       GLY  31  -9.529  -8.658  12.779
  235    HA   PRO  32           HA       PRO  32  -6.785  -5.250  13.306
  236   1HB   PRO  32          1HB       PRO  32  -4.495  -7.093  13.170
  237   2HB   PRO  32          2HB       PRO  32  -5.068  -6.114  14.521
  238   1HG   PRO  32          1HG       PRO  32  -5.341  -8.785  14.497
  239   2HG   PRO  32          2HG       PRO  32  -6.560  -7.725  15.230
  240   1HD   PRO  32          1HD       PRO  32  -6.594  -9.091  12.564
  241   2HD   PRO  32          2HD       PRO  32  -7.905  -8.897  13.746
  242    H    CYS  33           H        CYS  33  -7.483  -5.058  10.796
  243    HA   CYS  33           HA       CYS  33  -4.941  -4.801   9.328
  244   1HB   CYS  33          1HB       CYS  33  -6.073  -5.390   7.247
  245   2HB   CYS  33          2HB       CYS  33  -6.218  -6.700   8.427
  246    HG   CYS  33           HG       CYS  33  -8.718  -5.854   8.821
  247    H    LYS  34           H        LYS  34  -7.549  -3.186  10.649
  248    HA   LYS  34           HA       LYS  34  -7.608  -1.106   8.587
  249   1HB   LYS  34          1HB       LYS  34  -9.318  -1.435  11.059
  250   2HB   LYS  34          2HB       LYS  34  -9.502  -0.163   9.861
  251   1HG   LYS  34          1HG       LYS  34 -11.142  -1.688   9.286
  252   2HG   LYS  34          2HG       LYS  34  -9.824  -2.080   8.181
  253   1HD   LYS  34          1HD       LYS  34  -9.134  -3.902   9.674
  254   2HD   LYS  34          2HD       LYS  34 -10.468  -3.513  10.758
  255   1HE   LYS  34          1HE       LYS  34 -10.709  -4.416   7.890
  256   2HE   LYS  34          2HE       LYS  34 -11.029  -5.399   9.318
  257   1HZ   LYS  34          1HZ       LYS  34 -13.124  -4.712   8.876
  258   2HZ   LYS  34          2HZ       LYS  34 -12.636  -3.278   8.124
  259   3HZ   LYS  34          3HZ       LYS  34 -12.648  -3.384   9.812
  260    H    MET  35           H        MET  35  -6.408  -1.742  11.772
  261    HA   MET  35           HA       MET  35  -6.058   0.947  12.616
  262   1HB   MET  35          1HB       MET  35  -4.538  -1.526  13.458
  263   2HB   MET  35          2HB       MET  35  -4.579   0.006  14.320
  264   1HG   MET  35          1HG       MET  35  -6.948  -1.780  13.819
  265   2HG   MET  35          2HG       MET  35  -6.039  -1.675  15.323
  266   1HE   MET  35          1HE       MET  35  -8.707  -1.684  15.531
  267   2HE   MET  35          2HE       MET  35  -9.679  -0.213  15.564
  268   3HE   MET  35          3HE       MET  35  -8.582  -0.575  16.896
  269    H    ILE  36           H        ILE  36  -4.703  -0.562  10.058
  270    HA   ILE  36           HA       ILE  36  -1.988   0.359  10.319
  271    HB   ILE  36           HB       ILE  36  -3.468  -0.809   7.965
  272   1HG1  ILE  36          1HG1      ILE  36  -1.532  -2.056   9.925
  273   2HG1  ILE  36          2HG1      ILE  36  -3.267  -2.350   9.862
  274   1HG2  ILE  36          1HG2      ILE  36  -0.783  -1.276   7.598
  275   2HG2  ILE  36          2HG2      ILE  36  -0.832   0.377   8.214
  276   3HG2  ILE  36          3HG2      ILE  36  -1.753  -0.056   6.772
  277   1HD1  ILE  36          1HD1      ILE  36  -3.009  -3.908   8.318
  278   2HD1  ILE  36          2HD1      ILE  36  -1.268  -3.774   8.570
  279   3HD1  ILE  36          3HD1      ILE  36  -2.051  -2.831   7.302
  280    H    ALA  37           H        ALA  37  -4.958   1.532   8.921
  281    HA   ALA  37           HA       ALA  37  -4.124   3.282   6.987
  282   1HB   ALA  37          1HB       ALA  37  -6.466   2.915   8.547
  283   2HB   ALA  37          2HB       ALA  37  -6.294   3.736   6.996
  284   3HB   ALA  37          3HB       ALA  37  -6.108   4.641   8.499
  285    HA   PRO  38           HA       PRO  38  -3.131   6.655  10.269
  286   1HB   PRO  38          1HB       PRO  38  -2.629   5.829  12.814
  287   2HB   PRO  38          2HB       PRO  38  -4.231   6.339  12.261
  288   1HG   PRO  38          1HG       PRO  38  -3.161   3.600  12.709
  289   2HG   PRO  38          2HG       PRO  38  -4.797   4.226  12.965
  290   1HD   PRO  38          1HD       PRO  38  -4.010   2.712  10.805
  291   2HD   PRO  38          2HD       PRO  38  -5.416   3.778  10.812
  292    H    MET  39           H        MET  39  -1.746   3.460  10.815
  293    HA   MET  39           HA       MET  39   0.892   4.279  11.397
  294   1HB   MET  39          1HB       MET  39   0.171   2.027  11.896
  295   2HB   MET  39          2HB       MET  39  -0.229   1.729  10.212
  296   1HG   MET  39          1HG       MET  39   2.575   2.340  11.067
  297   2HG   MET  39          2HG       MET  39   1.914   0.710  11.159
  298   1HE   MET  39          1HE       MET  39   4.173   0.611  10.026
  299   2HE   MET  39          2HE       MET  39   4.503   0.990   8.335
  300   3HE   MET  39          3HE       MET  39   3.651  -0.495   8.755
  301    H    ILE  40           H        ILE  40  -0.641   3.202   8.378
  302    HA   ILE  40           HA       ILE  40   1.482   3.498   6.633
  303    HB   ILE  40           HB       ILE  40  -1.472   3.991   6.171
  304   1HG1  ILE  40          1HG1      ILE  40   0.317   1.620   5.604
  305   2HG1  ILE  40          2HG1      ILE  40  -0.925   1.726   6.845
  306   1HG2  ILE  40          1HG2      ILE  40  -0.989   3.731   3.769
  307   2HG2  ILE  40          2HG2      ILE  40   0.737   3.706   4.128
  308   3HG2  ILE  40          3HG2      ILE  40  -0.209   5.158   4.450
  309   1HD1  ILE  40          1HD1      ILE  40  -1.443   1.890   3.889
  310   2HD1  ILE  40          2HD1      ILE  40  -2.654   1.837   5.170
  311   3HD1  ILE  40          3HD1      ILE  40  -1.628   0.435   4.868
  312    H    GLU  41           H        GLU  41  -0.510   5.927   8.134
  313    HA   GLU  41           HA       GLU  41   0.300   8.071   6.410
  314   1HB   GLU  41          1HB       GLU  41  -1.836   8.129   7.613
  315   2HB   GLU  41          2HB       GLU  41  -0.980   8.114   9.149
  316   1HG   GLU  41          1HG       GLU  41   0.023  10.280   8.602
  317   2HG   GLU  41          2HG       GLU  41  -0.853  10.293   7.070
  318    H    LYS  42           H        LYS  42   1.261   6.837   9.571
  319    HA   LYS  42           HA       LYS  42   2.979   8.854  10.379
  320   1HB   LYS  42          1HB       LYS  42   3.171   5.872  10.832
  321   2HB   LYS  42          2HB       LYS  42   4.091   7.079  11.722
  322   1HG   LYS  42          1HG       LYS  42   1.097   7.020  11.639
  323   2HG   LYS  42          2HG       LYS  42   2.061   6.209  12.872
  324   1HD   LYS  42          1HD       LYS  42   3.169   8.491  13.232
  325   2HD   LYS  42          2HD       LYS  42   1.811   9.145  12.311
  326   1HE   LYS  42          1HE       LYS  42   1.586   7.461  14.789
  327   2HE   LYS  42          2HE       LYS  42   1.436   9.217  14.743
  328   1HZ   LYS  42          1HZ       LYS  42  -0.743   8.625  14.603
  329   2HZ   LYS  42          2HZ       LYS  42  -0.430   7.165  13.810
  330   3HZ   LYS  42          3HZ       LYS  42  -0.373   8.621  12.951
  331    H    PHE  43           H        PHE  43   3.394   6.483   7.881
  332    HA   PHE  43           HA       PHE  43   6.260   6.932   7.739
  333   1HB   PHE  43          1HB       PHE  43   4.427   5.149   6.132
  334   2HB   PHE  43          2HB       PHE  43   6.162   5.291   5.846
  335    HD1  PHE  43           HD1      PHE  43   3.866   4.754   8.732
  336    HD2  PHE  43           HD2      PHE  43   7.468   3.650   6.759
  337    HE1  PHE  43           HE1      PHE  43   4.290   3.056  10.463
  338    HE2  PHE  43           HE2      PHE  43   7.897   1.946   8.482
  339    HZ   PHE  43           HZ       PHE  43   6.307   1.647  10.338
  340    H    SER  44           H        SER  44   3.383   8.089   6.245
  341    HA   SER  44           HA       SER  44   4.566   8.974   3.812
  342   1HB   SER  44          1HB       SER  44   2.524  10.326   3.541
  343   2HB   SER  44          2HB       SER  44   2.138   8.666   4.022
  344    HG   SER  44           HG       SER  44   0.933   9.976   5.316
  345    H    GLU  45           H        GLU  45   4.998  10.012   6.967
  346    HA   GLU  45           HA       GLU  45   5.403  12.813   6.296
  347   1HB   GLU  45          1HB       GLU  45   4.373  12.273   8.444
  348   2HB   GLU  45          2HB       GLU  45   5.777  11.316   8.897
  349   1HG   GLU  45          1HG       GLU  45   5.817  13.472   9.993
  350   2HG   GLU  45          2HG       GLU  45   7.162  13.326   8.863
  351    H    GLN  46           H        GLN  46   7.239   9.900   6.712
  352    HA   GLN  46           HA       GLN  46   9.766  11.331   6.883
  353   1HB   GLN  46          1HB       GLN  46   9.167   8.371   6.819
  354   2HB   GLN  46          2HB       GLN  46  10.765   9.072   7.040
  355   1HG   GLN  46          1HG       GLN  46  10.011  10.148   9.092
  356   2HG   GLN  46          2HG       GLN  46   8.412   9.443   8.874
  357   1HE2  GLN  46          1HE2      GLN  46   8.064   7.747  10.092
  358   2HE2  GLN  46          2HE2      GLN  46   9.254   6.577  10.596
  359    H    TYR  47           H        TYR  47   7.848   9.602   4.533
  360    HA   TYR  47           HA       TYR  47   9.945  10.136   2.529
  361   1HB   TYR  47          1HB       TYR  47   7.995   7.827   2.590
  362   2HB   TYR  47          2HB       TYR  47   9.148   8.151   1.299
  363    HD1  TYR  47           HD1      TYR  47  11.654   8.240   1.998
  364    HD2  TYR  47           HD2      TYR  47   8.596   6.456   4.352
  365    HE1  TYR  47           HE1      TYR  47  13.353   6.925   3.194
  366    HE2  TYR  47           HE2      TYR  47  10.286   5.124   5.551
  367    HH   TYR  47           HH       TYR  47  13.642   5.752   5.284
  368    HA   PRO  48           HA       PRO  48   5.635  12.368   1.934
  369   1HB   PRO  48          1HB       PRO  48   7.778  14.356   1.303
  370   2HB   PRO  48          2HB       PRO  48   6.175  14.622   1.996
  371   1HG   PRO  48          1HG       PRO  48   8.387  14.564   3.522
  372   2HG   PRO  48          2HG       PRO  48   6.825  13.964   4.103
  373   1HD   PRO  48          1HD       PRO  48   9.259  12.464   3.410
  374   2HD   PRO  48          2HD       PRO  48   7.859  11.962   4.380
  375    H    GLN  49           H        GLN  49   8.642  12.073   0.162
  376    HA   GLN  49           HA       GLN  49   7.753  12.878  -2.366
  377   1HB   GLN  49          1HB       GLN  49   9.850  10.808  -1.682
  378   2HB   GLN  49          2HB       GLN  49   9.641  11.558  -3.258
  379   1HG   GLN  49          1HG       GLN  49  10.163  13.738  -2.292
  380   2HG   GLN  49          2HG       GLN  49  10.367  12.988  -0.710
  381   1HE2  GLN  49          1HE2      GLN  49  12.395  12.688  -0.175
  382   2HE2  GLN  49          2HE2      GLN  49  13.701  12.344  -1.253
  383    H    ALA  50           H        ALA  50   7.650   9.741  -0.759
  384    HA   ALA  50           HA       ALA  50   6.333   8.512  -3.046
  385   1HB   ALA  50          1HB       ALA  50   7.678   6.897  -2.206
  386   2HB   ALA  50          2HB       ALA  50   6.279   6.584  -1.181
  387   3HB   ALA  50          3HB       ALA  50   7.623   7.548  -0.568
  388    H    ASP  51           H        ASP  51   4.213   7.865  -3.097
  389    HA   ASP  51           HA       ASP  51   2.462   9.141  -1.154
  390   1HB   ASP  51          1HB       ASP  51   1.827   7.678  -3.727
  391   2HB   ASP  51          2HB       ASP  51   0.653   8.528  -2.727
  392    H    PHE  52           H        PHE  52   1.524   8.101   0.475
  393    HA   PHE  52           HA       PHE  52   1.693   5.179   0.535
  394   1HB   PHE  52          1HB       PHE  52   1.215   7.195   2.739
  395   2HB   PHE  52          2HB       PHE  52   1.190   5.441   2.972
  396    HD1  PHE  52           HD1      PHE  52   3.424   7.987   1.389
  397    HD2  PHE  52           HD2      PHE  52   3.090   4.529   3.843
  398    HE1  PHE  52           HE1      PHE  52   5.861   7.997   1.728
  399    HE2  PHE  52           HE2      PHE  52   5.524   4.531   4.188
  400    HZ   PHE  52           HZ       PHE  52   6.913   6.269   3.133
  401    H    TYR  53           H        TYR  53  -0.053   4.548  -0.668
  402    HA   TYR  53           HA       TYR  53  -2.702   5.455   0.230
  403   1HB   TYR  53          1HB       TYR  53  -1.712   4.331  -2.380
  404   2HB   TYR  53          2HB       TYR  53  -3.424   4.333  -1.976
  405    HD1  TYR  53           HD1      TYR  53  -4.382   6.665  -1.220
  406    HD2  TYR  53           HD2      TYR  53  -0.838   6.149  -3.514
  407    HE1  TYR  53           HE1      TYR  53  -4.593   8.967  -2.052
  408    HE2  TYR  53           HE2      TYR  53  -1.033   8.453  -4.348
  409    HH   TYR  53           HH       TYR  53  -2.257  10.687  -3.318
  410    H    LYS  54           H        LYS  54  -4.395   3.603  -0.340
  411    HA   LYS  54           HA       LYS  54  -3.375   1.028   0.598
  412   1HB   LYS  54          1HB       LYS  54  -5.722   2.478   1.823
  413   2HB   LYS  54          2HB       LYS  54  -5.306   0.802   2.143
  414   1HG   LYS  54          1HG       LYS  54  -4.391   1.889   3.949
  415   2HG   LYS  54          2HG       LYS  54  -3.018   1.748   2.854
  416   1HD   LYS  54          1HD       LYS  54  -3.026   3.960   3.770
  417   2HD   LYS  54          2HD       LYS  54  -3.487   4.071   2.077
  418   1HE   LYS  54          1HE       LYS  54  -4.903   5.508   3.392
  419   2HE   LYS  54          2HE       LYS  54  -5.852   4.171   2.749
  420   1HZ   LYS  54          1HZ       LYS  54  -6.400   4.576   5.051
  421   2HZ   LYS  54          2HZ       LYS  54  -4.785   4.378   5.511
  422   3HZ   LYS  54          3HZ       LYS  54  -5.655   3.064   4.900
  423    H    LEU  55           H        LEU  55  -4.734  -0.768   0.117
  424    HA   LEU  55           HA       LEU  55  -6.569  -0.235  -2.121
  425   1HB   LEU  55          1HB       LEU  55  -4.445  -1.501  -2.594
  426   2HB   LEU  55          2HB       LEU  55  -5.050  -2.777  -1.562
  427    HG   LEU  55           HG       LEU  55  -5.357  -3.216  -3.988
  428   1HD1  LEU  55          1HD1      LEU  55  -7.191  -4.427  -3.568
  429   2HD1  LEU  55          2HD1      LEU  55  -8.131  -3.019  -3.068
  430   3HD1  LEU  55          3HD1      LEU  55  -7.030  -3.793  -1.930
  431   1HD2  LEU  55          1HD2      LEU  55  -5.982  -0.654  -4.277
  432   2HD2  LEU  55          2HD2      LEU  55  -7.613  -1.295  -4.075
  433   3HD2  LEU  55          3HD2      LEU  55  -6.584  -1.895  -5.374
  434    H    ASP  56           H        ASP  56  -8.633  -0.547  -1.697
  435    HA   ASP  56           HA       ASP  56  -9.496  -1.891   0.662
  436   1HB   ASP  56          1HB       ASP  56 -11.102  -0.768  -1.637
  437   2HB   ASP  56          2HB       ASP  56 -11.707  -1.187  -0.041
  438    H    VAL  57           H        VAL  57  -9.463  -4.044   0.732
  439    HA   VAL  57           HA       VAL  57  -9.794  -5.684  -1.595
  440    HB   VAL  57           HB       VAL  57  -9.673  -6.410   1.344
  441   1HG1  VAL  57          1HG1      VAL  57  -9.063  -8.708   0.320
  442   2HG1  VAL  57          2HG1      VAL  57  -9.883  -8.110  -1.123
  443   3HG1  VAL  57          3HG1      VAL  57 -10.764  -8.243   0.398
  444   1HG2  VAL  57          1HG2      VAL  57  -7.395  -7.072   0.872
  445   2HG2  VAL  57          2HG2      VAL  57  -7.631  -5.395   0.385
  446   3HG2  VAL  57          3HG2      VAL  57  -7.594  -6.669  -0.834
  447    H    ASP  58           H        ASP  58 -11.982  -4.018   0.267
  448    HA   ASP  58           HA       ASP  58 -14.081  -5.987   0.345
  449   1HB   ASP  58          1HB       ASP  58 -13.921  -4.204   2.049
  450   2HB   ASP  58          2HB       ASP  58 -14.191  -2.996   0.800
  451    H    GLU  59           H        GLU  59 -13.394  -3.050  -1.527
  452    HA   GLU  59           HA       GLU  59 -15.596  -3.703  -3.338
  453   1HB   GLU  59          1HB       GLU  59 -15.442  -1.394  -2.473
  454   2HB   GLU  59          2HB       GLU  59 -13.855  -1.235  -3.211
  455   1HG   GLU  59          1HG       GLU  59 -15.558  -0.152  -4.554
  456   2HG   GLU  59          2HG       GLU  59 -14.835  -1.506  -5.421
  457    H    LEU  60           H        LEU  60 -12.138  -3.708  -3.156
  458    HA   LEU  60           HA       LEU  60 -11.991  -4.343  -6.029
  459   1HB   LEU  60          1HB       LEU  60  -9.823  -3.298  -4.206
  460   2HB   LEU  60          2HB       LEU  60  -9.611  -3.708  -5.898
  461    HG   LEU  60           HG       LEU  60 -11.253  -1.929  -6.486
  462   1HD1  LEU  60          1HD1      LEU  60 -11.438  -1.791  -3.564
  463   2HD1  LEU  60          2HD1      LEU  60 -12.602  -1.323  -4.803
  464   3HD1  LEU  60          3HD1      LEU  60 -11.286  -0.232  -4.373
  465   1HD2  LEU  60          1HD2      LEU  60  -9.603  -0.402  -6.633
  466   2HD2  LEU  60          2HD2      LEU  60  -8.607  -1.721  -6.016
  467   3HD2  LEU  60          3HD2      LEU  60  -9.223  -0.489  -4.913
  468    H    GLY  61           H        GLY  61 -12.826  -6.417  -4.613
  469   1HA   GLY  61          1HA       GLY  61 -10.855  -8.009  -3.374
  470   2HA   GLY  61          2HA       GLY  61 -12.370  -8.594  -4.041
  471    H    ASP  62           H        ASP  62 -11.333  -7.254  -6.667
  472    HA   ASP  62           HA       ASP  62 -10.183  -9.676  -7.706
  473   1HB   ASP  62          1HB       ASP  62 -10.795  -7.076  -9.048
  474   2HB   ASP  62          2HB       ASP  62 -10.301  -8.540  -9.878
  475    H    VAL  63           H        VAL  63  -9.053  -6.553  -6.713
  476    HA   VAL  63           HA       VAL  63  -6.544  -6.732  -8.110
  477    HB   VAL  63           HB       VAL  63  -7.178  -4.898  -5.797
  478   1HG1  VAL  63          1HG1      VAL  63  -5.241  -3.889  -6.248
  479   2HG1  VAL  63          2HG1      VAL  63  -5.570  -3.864  -7.980
  480   3HG1  VAL  63          3HG1      VAL  63  -4.852  -5.295  -7.240
  481   1HG2  VAL  63          1HG2      VAL  63  -7.743  -4.428  -8.723
  482   2HG2  VAL  63          2HG2      VAL  63  -7.978  -3.268  -7.415
  483   3HG2  VAL  63          3HG2      VAL  63  -8.956  -4.733  -7.481
  484    H    ALA  64           H        ALA  64  -7.793  -7.836  -5.088
  485    HA   ALA  64           HA       ALA  64  -5.206  -8.185  -3.814
  486   1HB   ALA  64          1HB       ALA  64  -7.818  -9.452  -3.000
  487   2HB   ALA  64          2HB       ALA  64  -7.392  -7.791  -2.588
  488   3HB   ALA  64          3HB       ALA  64  -6.402  -9.126  -1.999
  489    H    GLN  65           H        GLN  65  -7.332  -9.924  -5.917
  490    HA   GLN  65           HA       GLN  65  -6.003 -12.470  -5.475
  491   1HB   GLN  65          1HB       GLN  65  -8.424 -12.470  -5.799
  492   2HB   GLN  65          2HB       GLN  65  -8.232 -11.686  -7.361
  493   1HG   GLN  65          1HG       GLN  65  -7.031 -13.652  -8.192
  494   2HG   GLN  65          2HG       GLN  65  -7.256 -14.437  -6.631
  495   1HE2  GLN  65          1HE2      GLN  65  -8.822 -15.865  -6.637
  496   2HE2  GLN  65          2HE2      GLN  65 -10.281 -15.785  -7.558
  497    H    LYS  66           H        LYS  66  -6.101  -9.850  -7.808
  498    HA   LYS  66           HA       LYS  66  -4.867 -11.136  -9.970
  499   1HB   LYS  66          1HB       LYS  66  -4.443  -8.988 -10.867
  500   2HB   LYS  66          2HB       LYS  66  -5.937  -8.824  -9.955
  501   1HG   LYS  66          1HG       LYS  66  -4.670  -7.853  -8.097
  502   2HG   LYS  66          2HG       LYS  66  -3.197  -7.962  -9.054
  503   1HD   LYS  66          1HD       LYS  66  -5.653  -6.396  -9.843
  504   2HD   LYS  66          2HD       LYS  66  -4.226  -5.703  -9.075
  505   1HE   LYS  66          1HE       LYS  66  -3.990  -5.288 -11.385
  506   2HE   LYS  66          2HE       LYS  66  -2.893  -6.616 -11.016
  507   1HZ   LYS  66          1HZ       LYS  66  -5.480  -7.552 -11.778
  508   2HZ   LYS  66          2HZ       LYS  66  -3.964  -7.940 -12.420
  509   3HZ   LYS  66          3HZ       LYS  66  -4.794  -6.577 -12.979
  510    H    ASN  67           H        ASN  67  -3.460  -9.312  -7.270
  511    HA   ASN  67           HA       ASN  67  -0.773 -10.004  -8.059
  512   1HB   ASN  67          1HB       ASN  67  -1.911  -8.447  -5.729
  513   2HB   ASN  67          2HB       ASN  67  -0.189  -8.684  -6.023
  514   1HD2  ASN  67          1HD2      ASN  67  -2.625  -6.570  -6.366
  515   2HD2  ASN  67          2HD2      ASN  67  -2.044  -5.651  -7.729
  516    H    GLU  68           H        GLU  68  -3.176 -11.647  -6.554
  517    HA   GLU  68           HA       GLU  68  -3.275 -13.495  -5.246
  518   1HB   GLU  68          1HB       GLU  68  -0.286 -13.554  -5.696
  519   2HB   GLU  68          2HB       GLU  68  -1.246 -14.879  -5.052
  520   1HG   GLU  68          1HG       GLU  68  -1.574 -13.669  -7.786
  521   2HG   GLU  68          2HG       GLU  68  -0.705 -15.162  -7.429
  522    H    VAL  69           H        VAL  69  -3.212 -11.028  -3.924
  523    HA   VAL  69           HA       VAL  69  -1.532 -11.562  -1.565
  524    HB   VAL  69           HB       VAL  69  -2.962  -9.007  -2.317
  525   1HG1  VAL  69          1HG1      VAL  69  -1.049  -9.704  -0.094
  526   2HG1  VAL  69          2HG1      VAL  69  -2.695  -9.083   0.039
  527   3HG1  VAL  69          3HG1      VAL  69  -1.411  -8.047  -0.581
  528   1HG2  VAL  69          1HG2      VAL  69  -0.911  -9.923  -3.705
  529   2HG2  VAL  69          2HG2      VAL  69   0.002  -9.269  -2.346
  530   3HG2  VAL  69          3HG2      VAL  69  -1.050  -8.214  -3.289
  531    H    SER  70           H        SER  70  -2.529 -12.530   0.080
  532    HA   SER  70           HA       SER  70  -5.164 -11.621   0.890
  533   1HB   SER  70          1HB       SER  70  -6.122 -13.877   0.973
  534   2HB   SER  70          2HB       SER  70  -5.660 -13.445  -0.682
  535    HG   SER  70           HG       SER  70  -3.622 -14.594  -0.146
  536    H    ALA  71           H        ALA  71  -2.254 -11.841   1.883
  537    HA   ALA  71           HA       ALA  71  -2.331 -13.592   4.129
  538   1HB   ALA  71          1HB       ALA  71  -0.459 -11.612   4.701
  539   2HB   ALA  71          2HB       ALA  71  -0.443 -11.762   2.943
  540   3HB   ALA  71          3HB       ALA  71  -0.154 -13.179   3.951
  541    H    MET  72           H        MET  72  -3.692 -10.557   3.485
  542    HA   MET  72           HA       MET  72  -4.675  -8.928   4.732
  543   1HB   MET  72          1HB       MET  72  -6.232  -9.821   6.440
  544   2HB   MET  72          2HB       MET  72  -6.334 -10.645   4.891
  545   1HG   MET  72          1HG       MET  72  -5.319 -12.572   5.710
  546   2HG   MET  72          2HG       MET  72  -4.648 -11.740   7.109
  547   1HE   MET  72          1HE       MET  72  -5.348 -13.762   8.486
  548   2HE   MET  72          2HE       MET  72  -6.339 -14.623   7.309
  549   3HE   MET  72          3HE       MET  72  -7.006 -14.208   8.887
  550    HA   PRO  73           HA       PRO  73  -3.762  -7.316   4.741
  551   1HB   PRO  73          1HB       PRO  73  -2.269  -5.242   5.321
  552   2HB   PRO  73          2HB       PRO  73  -3.678  -5.589   6.347
  553   1HG   PRO  73          1HG       PRO  73  -0.791  -6.253   6.818
  554   2HG   PRO  73          2HG       PRO  73  -1.955  -5.522   7.932
  555   1HD   PRO  73          1HD       PRO  73  -1.338  -8.218   7.858
  556   2HD   PRO  73          2HD       PRO  73  -2.843  -7.535   8.521
  557    H    THR  74           H        THR  74  -1.654  -5.761   3.716
  558    HA   THR  74           HA       THR  74   0.754  -7.275   3.428
  559    HB   THR  74           HB       THR  74  -1.147  -7.173   1.082
  560    HG1  THR  74           HG1      THR  74  -0.220  -9.615   1.708
  561   1HG2  THR  74          1HG2      THR  74   1.030  -6.912   0.186
  562   2HG2  THR  74          2HG2      THR  74   0.581  -8.602  -0.038
  563   3HG2  THR  74          3HG2      THR  74   1.689  -8.150   1.254
  564    H    LEU  75           H        LEU  75   2.275  -6.232   1.874
  565    HA   LEU  75           HA       LEU  75   1.596  -3.398   1.432
  566   1HB   LEU  75          1HB       LEU  75   4.279  -4.518   2.240
  567   2HB   LEU  75          2HB       LEU  75   3.955  -2.842   1.857
  568    HG   LEU  75           HG       LEU  75   2.895  -4.384   4.222
  569   1HD1  LEU  75          1HD1      LEU  75   5.117  -2.521   3.758
  570   2HD1  LEU  75          2HD1      LEU  75   4.915  -3.773   4.983
  571   3HD1  LEU  75          3HD1      LEU  75   4.141  -2.201   5.191
  572   1HD2  LEU  75          1HD2      LEU  75   1.116  -2.989   3.765
  573   2HD2  LEU  75          2HD2      LEU  75   2.141  -1.735   3.068
  574   3HD2  LEU  75          3HD2      LEU  75   2.102  -1.973   4.815
  575    H    LEU  76           H        LEU  76   1.707  -2.789  -0.628
  576    HA   LEU  76           HA       LEU  76   3.421  -4.346  -2.452
  577   1HB   LEU  76          1HB       LEU  76   0.732  -3.077  -2.963
  578   2HB   LEU  76          2HB       LEU  76   1.778  -3.667  -4.251
  579    HG   LEU  76           HG       LEU  76   0.375  -5.263  -2.117
  580   1HD1  LEU  76          1HD1      LEU  76   0.240  -6.228  -4.831
  581   2HD1  LEU  76          2HD1      LEU  76  -0.309  -4.555  -4.719
  582   3HD1  LEU  76          3HD1      LEU  76  -1.060  -5.800  -3.720
  583   1HD2  LEU  76          1HD2      LEU  76   1.537  -7.227  -3.323
  584   2HD2  LEU  76          2HD2      LEU  76   2.446  -6.321  -2.113
  585   3HD2  LEU  76          3HD2      LEU  76   2.715  -6.017  -3.829
  586    H    LEU  77           H        LEU  77   4.893  -3.272  -3.614
  587    HA   LEU  77           HA       LEU  77   4.863  -0.333  -3.458
  588   1HB   LEU  77          1HB       LEU  77   7.195  -2.212  -3.846
  589   2HB   LEU  77          2HB       LEU  77   7.307  -0.463  -3.832
  590    HG   LEU  77           HG       LEU  77   6.501  -0.463  -1.482
  591   1HD1  LEU  77          1HD1      LEU  77   6.450  -3.404  -1.976
  592   2HD1  LEU  77          2HD1      LEU  77   5.291  -2.385  -1.124
  593   3HD1  LEU  77          3HD1      LEU  77   6.828  -2.797  -0.364
  594   1HD2  LEU  77          1HD2      LEU  77   8.999  -1.961  -2.217
  595   2HD2  LEU  77          2HD2      LEU  77   8.607  -1.546  -0.548
  596   3HD2  LEU  77          3HD2      LEU  77   8.826  -0.270  -1.746
  597    H    PHE  78           H        PHE  78   4.971   0.880  -5.258
  598    HA   PHE  78           HA       PHE  78   5.368  -0.439  -7.857
  599   1HB   PHE  78          1HB       PHE  78   3.122   1.491  -7.215
  600   2HB   PHE  78          2HB       PHE  78   3.431   0.739  -8.776
  601    HD1  PHE  78           HD1      PHE  78   3.360  -1.844  -8.850
  602    HD2  PHE  78           HD2      PHE  78   1.693   0.485  -5.704
  603    HE1  PHE  78           HE1      PHE  78   1.942  -3.747  -8.201
  604    HE2  PHE  78           HE2      PHE  78   0.269  -1.412  -5.051
  605    HZ   PHE  78           HZ       PHE  78   0.390  -3.529  -6.298
  606    H    LYS  79           H        LYS  79   6.825   0.690  -9.089
  607    HA   LYS  79           HA       LYS  79   7.259   3.519  -8.352
  608   1HB   LYS  79          1HB       LYS  79   9.172   1.406  -9.274
  609   2HB   LYS  79          2HB       LYS  79   9.549   3.106  -9.507
  610   1HG   LYS  79          1HG       LYS  79   9.236   3.421  -7.042
  611   2HG   LYS  79          2HG       LYS  79   9.110   1.671  -6.896
  612   1HD   LYS  79          1HD       LYS  79  11.469   3.176  -8.018
  613   2HD   LYS  79          2HD       LYS  79  11.374   2.468  -6.406
  614   1HE   LYS  79          1HE       LYS  79  12.590   0.933  -7.725
  615   2HE   LYS  79          2HE       LYS  79  10.978   0.248  -7.541
  616   1HZ   LYS  79          1HZ       LYS  79  10.661   0.300  -9.727
  617   2HZ   LYS  79          2HZ       LYS  79  12.309   0.640  -9.892
  618   3HZ   LYS  79          3HZ       LYS  79  11.186   1.904  -9.863
  619    H    ASN  80           H        ASN  80   6.851   5.045  -9.815
  620    HA   ASN  80           HA       ASN  80   6.085   5.985 -11.752
  621   1HB   ASN  80          1HB       ASN  80   8.319   4.272 -12.857
  622   2HB   ASN  80          2HB       ASN  80   7.578   5.637 -13.689
  623   1HD2  ASN  80          1HD2      ASN  80  10.181   4.738 -11.970
  624   2HD2  ASN  80          2HD2      ASN  80  10.645   6.260 -11.296
  625    H    GLY  81           H        GLY  81   4.056   4.754 -11.552
  626   1HA   GLY  81          1HA       GLY  81   2.429   3.310 -12.294
  627   2HA   GLY  81          2HA       GLY  81   2.981   3.895 -13.861
  628    H    LYS  82           H        LYS  82   4.731   1.814 -11.592
  629    HA   LYS  82           HA       LYS  82   4.302  -0.489 -13.330
  630   1HB   LYS  82          1HB       LYS  82   7.032   0.631 -12.668
  631   2HB   LYS  82          2HB       LYS  82   6.765  -0.955 -13.366
  632   1HG   LYS  82          1HG       LYS  82   5.969   1.645 -14.642
  633   2HG   LYS  82          2HG       LYS  82   7.402   0.700 -15.045
  634   1HD   LYS  82          1HD       LYS  82   4.543  -0.231 -15.303
  635   2HD   LYS  82          2HD       LYS  82   5.575   0.302 -16.630
  636   1HE   LYS  82          1HE       LYS  82   7.130  -1.532 -16.142
  637   2HE   LYS  82          2HE       LYS  82   6.078  -2.069 -14.834
  638   1HZ   LYS  82          1HZ       LYS  82   5.898  -3.184 -17.133
  639   2HZ   LYS  82          2HZ       LYS  82   5.017  -1.808 -17.570
  640   3HZ   LYS  82          3HZ       LYS  82   4.476  -2.792 -16.305
  641    H    GLU  83           H        GLU  83   6.326  -2.064 -12.054
  642    HA   GLU  83           HA       GLU  83   5.092  -2.352  -9.407
  643   1HB   GLU  83          1HB       GLU  83   4.753  -4.224 -10.978
  644   2HB   GLU  83          2HB       GLU  83   6.490  -4.392 -11.157
  645   1HG   GLU  83          1HG       GLU  83   6.721  -5.134  -8.904
  646   2HG   GLU  83          2HG       GLU  83   5.033  -4.757  -8.552
  647    H    VAL  84           H        VAL  84   6.701  -3.579  -7.853
  648    HA   VAL  84           HA       VAL  84   9.449  -2.726  -8.180
  649    HB   VAL  84           HB       VAL  84   7.997  -1.962  -5.727
  650   1HG1  VAL  84          1HG1      VAL  84  10.078  -0.407  -5.643
  651   2HG1  VAL  84          2HG1      VAL  84  10.753  -1.596  -6.758
  652   3HG1  VAL  84          3HG1      VAL  84  10.213  -2.096  -5.156
  653   1HG2  VAL  84          1HG2      VAL  84   7.834   0.279  -6.471
  654   2HG2  VAL  84          2HG2      VAL  84   7.164  -0.732  -7.746
  655   3HG2  VAL  84          3HG2      VAL  84   8.790  -0.072  -7.910
  656    H    ALA  85           H        ALA  85   7.358  -3.825  -5.532
  657    HA   ALA  85           HA       ALA  85   8.415  -6.457  -5.495
  658   1HB   ALA  85          1HB       ALA  85  10.417  -5.537  -4.632
  659   2HB   ALA  85          2HB       ALA  85   9.564  -6.238  -3.256
  660   3HB   ALA  85          3HB       ALA  85   9.540  -4.494  -3.512
  661    H    LYS  86           H        LYS  86   7.476  -7.774  -3.841
  662    HA   LYS  86           HA       LYS  86   5.165  -6.508  -2.519
  663   1HB   LYS  86          1HB       LYS  86   3.993  -8.661  -2.747
  664   2HB   LYS  86          2HB       LYS  86   4.438  -7.988  -4.309
  665   1HG   LYS  86          1HG       LYS  86   6.357  -9.506  -4.410
  666   2HG   LYS  86          2HG       LYS  86   5.883 -10.194  -2.856
  667   1HD   LYS  86          1HD       LYS  86   4.226 -10.222  -5.378
  668   2HD   LYS  86          2HD       LYS  86   5.130 -11.589  -4.721
  669   1HE   LYS  86          1HE       LYS  86   3.757 -11.511  -2.692
  670   2HE   LYS  86          2HE       LYS  86   2.851 -10.155  -3.361
  671   1HZ   LYS  86          1HZ       LYS  86   2.585 -11.926  -5.319
  672   2HZ   LYS  86          2HZ       LYS  86   1.491 -11.798  -4.034
  673   3HZ   LYS  86          3HZ       LYS  86   2.697 -12.984  -4.002
  674    H    VAL  87           H        VAL  87   5.272  -6.508  -0.381
  675    HA   VAL  87           HA       VAL  87   6.534  -8.771   0.992
  676    HB   VAL  87           HB       VAL  87   7.118  -5.883   1.669
  677   1HG1  VAL  87          1HG1      VAL  87   8.871  -7.033   3.144
  678   2HG1  VAL  87          2HG1      VAL  87   7.900  -8.490   2.933
  679   3HG1  VAL  87          3HG1      VAL  87   7.194  -7.061   3.686
  680   1HG2  VAL  87          1HG2      VAL  87   9.062  -7.924   0.621
  681   2HG2  VAL  87          2HG2      VAL  87   9.297  -6.186   0.808
  682   3HG2  VAL  87          3HG2      VAL  87   8.200  -6.799  -0.428
  683    H    VAL  88           H        VAL  88   4.554  -9.511   1.730
  684    HA   VAL  88           HA       VAL  88   2.593  -7.842   2.914
  685    HB   VAL  88           HB       VAL  88   1.915  -9.975   2.027
  686   1HG1  VAL  88          1HG1      VAL  88   3.040 -11.687   4.097
  687   2HG1  VAL  88          2HG1      VAL  88   4.278 -10.928   3.094
  688   3HG1  VAL  88          3HG1      VAL  88   3.009 -11.898   2.346
  689   1HG2  VAL  88          1HG2      VAL  88   1.373 -10.825   4.707
  690   2HG2  VAL  88          2HG2      VAL  88   0.297 -10.062   3.541
  691   3HG2  VAL  88          3HG2      VAL  88   1.272  -9.067   4.616
  692    H    GLY  89           H        GLY  89   2.633  -6.874   4.812
  693   1HA   GLY  89          1HA       GLY  89   2.760  -7.321   7.264
  694   2HA   GLY  89          2HA       GLY  89   4.337  -8.024   6.936
  695    H    ALA  90           H        ALA  90   2.595  -5.166   7.605
  696    HA   ALA  90           HA       ALA  90   4.837  -3.434   6.891
  697   1HB   ALA  90          1HB       ALA  90   3.387  -1.662   6.961
  698   2HB   ALA  90          2HB       ALA  90   2.383  -2.388   8.217
  699   3HB   ALA  90          3HB       ALA  90   2.266  -2.960   6.553
  700    H    ASN  91           H        ASN  91   5.293  -5.302   8.958
  701    HA   ASN  91           HA       ASN  91   5.102  -3.901  11.482
  702   1HB   ASN  91          1HB       ASN  91   4.883  -6.358  11.392
  703   2HB   ASN  91          2HB       ASN  91   6.523  -6.478  10.765
  704   1HD2  ASN  91          1HD2      ASN  91   7.994  -6.967  12.207
  705   2HD2  ASN  91          2HD2      ASN  91   7.928  -6.618  13.896
  706    HA   PRO  92           HA       PRO  92   8.738  -1.366  11.181
  707   1HB   PRO  92          1HB       PRO  92   9.142  -2.504  13.929
  708   2HB   PRO  92          2HB       PRO  92   9.347  -0.839  13.366
  709   1HG   PRO  92          1HG       PRO  92   7.145  -1.533  14.667
  710   2HG   PRO  92          2HG       PRO  92   7.057  -0.453  13.262
  711   1HD   PRO  92          1HD       PRO  92   6.262  -3.304  13.505
  712   2HD   PRO  92          2HD       PRO  92   5.613  -2.035  12.449
  713    H    ALA  93           H        ALA  93   9.773  -2.709   9.608
  714    HA   ALA  93           HA       ALA  93  12.264  -3.716  10.359
  715   1HB   ALA  93          1HB       ALA  93  10.402  -5.529  11.098
  716   2HB   ALA  93          2HB       ALA  93  12.059  -5.938  10.655
  717   3HB   ALA  93          3HB       ALA  93  10.766  -6.086   9.464
  718    H    ALA  94           H        ALA  94   9.621  -3.761   8.033
  719    HA   ALA  94           HA       ALA  94  11.628  -3.637   5.894
  720   1HB   ALA  94          1HB       ALA  94   9.263  -5.445   6.075
  721   2HB   ALA  94          2HB       ALA  94  10.909  -5.798   5.550
  722   3HB   ALA  94          3HB       ALA  94   9.822  -4.892   4.496
  723    H    ILE  95           H        ILE  95   8.272  -2.935   6.823
  724    HA   ILE  95           HA       ILE  95   7.517  -1.441   4.621
  725    HB   ILE  95           HB       ILE  95   5.940  -2.043   6.354
  726   1HG1  ILE  95          1HG1      ILE  95   4.732   0.076   6.593
  727   2HG1  ILE  95          2HG1      ILE  95   6.184   0.966   6.150
  728   1HG2  ILE  95          1HG2      ILE  95   6.968  -1.960   8.393
  729   2HG2  ILE  95          2HG2      ILE  95   6.021  -0.473   8.458
  730   3HG2  ILE  95          3HG2      ILE  95   7.739  -0.409   8.063
  731   1HD1  ILE  95          1HD1      ILE  95   5.866  -0.745   4.036
  732   2HD1  ILE  95          2HD1      ILE  95   5.346   0.938   4.089
  733   3HD1  ILE  95          3HD1      ILE  95   4.205  -0.352   4.474
  734    H    LYS  96           H        LYS  96   9.987  -0.712   6.875
  735    HA   LYS  96           HA       LYS  96   9.833   2.148   6.397
  736   1HB   LYS  96          1HB       LYS  96  10.452   1.964   8.573
  737   2HB   LYS  96          2HB       LYS  96  11.149   0.366   8.348
  738   1HG   LYS  96          1HG       LYS  96  13.145   1.308   7.447
  739   2HG   LYS  96          2HG       LYS  96  12.457   2.931   7.496
  740   1HD   LYS  96          1HD       LYS  96  12.278   2.723   9.963
  741   2HD   LYS  96          2HD       LYS  96  13.082   1.157   9.858
  742   1HE   LYS  96          1HE       LYS  96  14.235   3.814   9.015
  743   2HE   LYS  96          2HE       LYS  96  14.663   2.909  10.465
  744   1HZ   LYS  96          1HZ       LYS  96  15.552   1.156   9.111
  745   2HZ   LYS  96          2HZ       LYS  96  16.259   2.618   8.638
  746   3HZ   LYS  96          3HZ       LYS  96  15.043   1.923   7.691
  747    H    GLN  97           H        GLN  97  12.379  -0.337   6.177
  748    HA   GLN  97           HA       GLN  97  14.049   1.226   4.521
  749   1HB   GLN  97          1HB       GLN  97  14.028  -1.761   4.989
  750   2HB   GLN  97          2HB       GLN  97  15.287  -0.902   4.119
  751   1HG   GLN  97          1HG       GLN  97  16.185  -1.154   6.228
  752   2HG   GLN  97          2HG       GLN  97  15.556   0.488   6.250
  753   1HE2  GLN  97          1HE2      GLN  97  13.252  -2.086   6.454
  754   2HE2  GLN  97          2HE2      GLN  97  12.928  -1.933   8.139
  755    H    ALA  98           H        ALA  98  11.542  -1.139   3.848
  756    HA   ALA  98           HA       ALA  98  12.066  -1.633   1.154
  757   1HB   ALA  98          1HB       ALA  98   9.786  -2.343   0.964
  758   2HB   ALA  98          2HB       ALA  98   9.324  -1.404   2.385
  759   3HB   ALA  98          3HB       ALA  98  10.374  -2.811   2.559
  760    H    ILE  99           H        ILE  99  10.645   1.121   2.725
  761    HA   ILE  99           HA       ILE  99   9.783   2.330   0.234
  762    HB   ILE  99           HB       ILE  99   9.582   3.155   3.129
  763   1HG1  ILE  99          1HG1      ILE  99   7.170   2.931   2.695
  764   2HG1  ILE  99          2HG1      ILE  99   7.514   2.485   1.030
  765   1HG2  ILE  99          1HG2      ILE  99   8.190   5.066   2.292
  766   2HG2  ILE  99          2HG2      ILE  99   8.808   4.727   0.675
  767   3HG2  ILE  99          3HG2      ILE  99   9.916   5.209   1.959
  768   1HD1  ILE  99          1HD1      ILE  99   7.055   0.717   2.974
  769   2HD1  ILE  99          2HD1      ILE  99   8.808   0.845   3.098
  770   3HD1  ILE  99          3HD1      ILE  99   8.065   0.377   1.570
  771    H    ALA 100           H        ALA 100  12.643   2.151   1.983
  772    HA   ALA 100           HA       ALA 100  13.548   4.843   1.388
  773   1HB   ALA 100          1HB       ALA 100  15.760   3.583   2.294
  774   2HB   ALA 100          2HB       ALA 100  14.498   2.603   3.041
  775   3HB   ALA 100          3HB       ALA 100  14.556   4.341   3.337
  776    H    ALA 101           H        ALA 101  15.236   1.757   0.886
  777    HA   ALA 101           HA       ALA 101  16.865   2.563  -1.176
  778   1HB   ALA 101          1HB       ALA 101  15.878  -0.203  -1.405
  779   2HB   ALA 101          2HB       ALA 101  16.537   0.249   0.167
  780   3HB   ALA 101          3HB       ALA 101  17.527   0.411  -1.284
  781    H    ASN 102           H        ASN 102  13.496   1.659  -1.309
  782    HA   ASN 102           HA       ASN 102  13.403   1.378  -4.156
  783   1HB   ASN 102          1HB       ASN 102  11.246   1.649  -2.053
  784   2HB   ASN 102          2HB       ASN 102  10.951   1.295  -3.758
  785   1HD2  ASN 102          1HD2      ASN 102  10.226  -0.731  -3.708
  786   2HD2  ASN 102          2HD2      ASN 102  11.072  -2.075  -3.032
  787    H    ALA 103           H        ALA 103  12.232   3.803  -1.823
  788    HA   ALA 103           HA       ALA 103  11.876   5.694  -4.043
  789   1HB   ALA 103          1HB       ALA 103  10.855   5.903  -1.214
  790   2HB   ALA 103          2HB       ALA 103   9.930   5.291  -2.582
  791   3HB   ALA 103          3HB       ALA 103  10.461   6.972  -2.558
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1   0.536  12.369   2.889
    2   2H    MET   1          2H        MET   1  -0.473  13.722   2.572
    3   3H    MET   1          3H        MET   1  -0.472  12.376   1.505
    4    HA   MET   1           HA       MET   1  -1.219  12.153   4.333
    5   1HB   MET   1          1HB       MET   1  -3.554  12.369   3.584
    6   2HB   MET   1          2HB       MET   1  -2.642  13.843   3.290
    7   1HG   MET   1          1HG       MET   1  -2.394  13.225   0.943
    8   2HG   MET   1          2HG       MET   1  -3.304  11.746   1.237
    9   1HE   MET   1          1HE       MET   1  -6.669  12.381   1.682
   10   2HE   MET   1          2HE       MET   1  -6.223  13.401   3.051
   11   3HE   MET   1          3HE       MET   1  -5.326  11.917   2.727
   12    H    VAL   2           H        VAL   2  -3.259  10.460   4.064
   13    HA   VAL   2           HA       VAL   2  -2.307   8.243   2.387
   14    HB   VAL   2           HB       VAL   2  -1.499   7.925   4.711
   15   1HG1  VAL   2          1HG1      VAL   2  -3.249   7.257   6.412
   16   2HG1  VAL   2          2HG1      VAL   2  -4.436   8.004   5.345
   17   3HG1  VAL   2          3HG1      VAL   2  -3.139   8.977   6.038
   18   1HG2  VAL   2          1HG2      VAL   2  -2.953   5.654   4.952
   19   2HG2  VAL   2          2HG2      VAL   2  -1.590   5.856   3.853
   20   3HG2  VAL   2          3HG2      VAL   2  -3.238   6.060   3.259
   21    H    THR   3           H        THR   3  -3.898   7.022   1.446
   22    HA   THR   3           HA       THR   3  -6.645   7.270   2.363
   23    HB   THR   3           HB       THR   3  -5.814   8.105  -0.420
   24    HG1  THR   3           HG1      THR   3  -5.473   9.785   0.958
   25   1HG2  THR   3          1HG2      THR   3  -8.225   8.821  -0.587
   26   2HG2  THR   3          2HG2      THR   3  -8.530   7.792   0.813
   27   3HG2  THR   3          3HG2      THR   3  -7.916   7.088  -0.683
   28    H    GLN   4           H        GLN   4  -8.123   5.818   1.212
   29    HA   GLN   4           HA       GLN   4  -6.765   3.318   0.501
   30   1HB   GLN   4          1HB       GLN   4  -9.707   3.801   0.998
   31   2HB   GLN   4          2HB       GLN   4  -8.885   2.248   0.932
   32   1HG   GLN   4          1HG       GLN   4  -7.663   2.787   2.953
   33   2HG   GLN   4          2HG       GLN   4  -8.423   4.372   3.013
   34   1HE2  GLN   4          1HE2      GLN   4 -10.745   2.328   1.891
   35   2HE2  GLN   4          2HE2      GLN   4 -11.496   1.900   3.384
   36    H    PHE   5           H        PHE   5  -8.323   1.987  -1.107
   37    HA   PHE   5           HA       PHE   5  -9.088   3.744  -3.329
   38   1HB   PHE   5          1HB       PHE   5  -7.356   1.277  -3.520
   39   2HB   PHE   5          2HB       PHE   5  -8.142   2.029  -4.914
   40    HD1  PHE   5           HD1      PHE   5  -7.751   4.912  -4.059
   41    HD2  PHE   5           HD2      PHE   5  -5.111   1.570  -4.138
   42    HE1  PHE   5           HE1      PHE   5  -5.840   6.435  -4.365
   43    HE2  PHE   5           HE2      PHE   5  -3.201   3.091  -4.442
   44    HZ   PHE   5           HZ       PHE   5  -3.563   5.521  -4.558
   45    H    LYS   6           H        LYS   6 -11.259   3.477  -3.068
   46    HA   LYS   6           HA       LYS   6 -12.420   0.856  -2.734
   47   1HB   LYS   6          1HB       LYS   6 -13.657   3.579  -3.173
   48   2HB   LYS   6          2HB       LYS   6 -14.591   2.108  -2.938
   49   1HG   LYS   6          1HG       LYS   6 -12.640   3.270  -0.961
   50   2HG   LYS   6          2HG       LYS   6 -14.398   3.414  -0.882
   51   1HD   LYS   6          1HD       LYS   6 -14.584   0.973  -0.723
   52   2HD   LYS   6          2HD       LYS   6 -12.826   0.838  -0.793
   53   1HE   LYS   6          1HE       LYS   6 -12.646   2.130   1.277
   54   2HE   LYS   6          2HE       LYS   6 -14.402   2.267   1.346
   55   1HZ   LYS   6          1HZ       LYS   6 -13.031   0.365   2.592
   56   2HZ   LYS   6          2HZ       LYS   6 -13.346  -0.430   1.133
   57   3HZ   LYS   6          3HZ       LYS   6 -14.625   0.162   2.067
   58    H    THR   7           H        THR   7 -11.510   2.865  -5.363
   59    HA   THR   7           HA       THR   7 -12.787   0.982  -7.217
   60    HB   THR   7           HB       THR   7 -13.269   2.856  -8.765
   61    HG1  THR   7           HG1      THR   7 -12.862   4.884  -8.228
   62   1HG2  THR   7          1HG2      THR   7 -14.588   2.607  -6.146
   63   2HG2  THR   7          2HG2      THR   7 -15.252   2.486  -7.775
   64   3HG2  THR   7          3HG2      THR   7 -14.938   4.070  -7.065
   65    H    ALA   8           H        ALA   8 -11.324   0.076  -8.499
   66    HA   ALA   8           HA       ALA   8  -8.619   0.587  -8.441
   67   1HB   ALA   8          1HB       ALA   8  -8.715  -0.561 -10.810
   68   2HB   ALA   8          2HB       ALA   8 -10.394  -0.847 -10.351
   69   3HB   ALA   8          3HB       ALA   8  -9.086  -1.465  -9.341
   70    H    SER   9           H        SER   9 -11.066   2.236 -10.246
   71    HA   SER   9           HA       SER   9  -9.496   3.365 -12.277
   72   1HB   SER   9          1HB       SER   9 -11.944   3.471 -12.300
   73   2HB   SER   9          2HB       SER   9 -11.924   4.513 -10.878
   74    HG   SER   9           HG       SER   9 -11.759   6.099 -12.233
   75    H    GLU  10           H        GLU  10  -9.494   3.911  -8.902
   76    HA   GLU  10           HA       GLU  10  -8.371   6.562  -9.113
   77   1HB   GLU  10          1HB       GLU  10  -8.988   4.841  -6.719
   78   2HB   GLU  10          2HB       GLU  10  -8.323   6.467  -6.622
   79   1HG   GLU  10          1HG       GLU  10 -10.312   7.359  -7.698
   80   2HG   GLU  10          2HG       GLU  10 -10.975   5.733  -7.840
   81    H    PHE  11           H        PHE  11  -7.403   3.378  -8.011
   82    HA   PHE  11           HA       PHE  11  -4.761   4.101  -7.301
   83   1HB   PHE  11          1HB       PHE  11  -6.026   2.067  -6.496
   84   2HB   PHE  11          2HB       PHE  11  -5.729   1.346  -8.072
   85    HD1  PHE  11           HD1      PHE  11  -4.785  -0.412  -6.366
   86    HD2  PHE  11           HD2      PHE  11  -2.959   3.341  -7.211
   87    HE1  PHE  11           HE1      PHE  11  -2.631  -1.273  -5.546
   88    HE2  PHE  11           HE2      PHE  11  -0.808   2.481  -6.400
   89    HZ   PHE  11           HZ       PHE  11  -0.642   0.173  -5.565
   90    H    ASP  12           H        ASP  12  -6.278   3.334 -10.304
   91    HA   ASP  12           HA       ASP  12  -4.142   2.350 -11.792
   92   1HB   ASP  12          1HB       ASP  12  -6.452   2.373 -12.612
   93   2HB   ASP  12          2HB       ASP  12  -6.407   4.130 -12.718
   94    H    SER  13           H        SER  13  -5.046   5.691 -11.065
   95    HA   SER  13           HA       SER  13  -2.869   6.739 -12.667
   96   1HB   SER  13          1HB       SER  13  -4.985   7.962 -12.610
   97   2HB   SER  13          2HB       SER  13  -4.851   8.144 -10.861
   98    HG   SER  13           HG       SER  13  -3.257   9.309 -12.883
   99    H    ALA  14           H        ALA  14  -3.467   5.906  -9.360
  100    HA   ALA  14           HA       ALA  14  -1.661   7.553  -8.032
  101   1HB   ALA  14          1HB       ALA  14  -3.315   5.461  -7.334
  102   2HB   ALA  14          2HB       ALA  14  -2.262   6.366  -6.245
  103   3HB   ALA  14          3HB       ALA  14  -1.702   4.855  -6.959
  104    H    ILE  15           H        ILE  15  -1.101   4.525  -9.763
  105    HA   ILE  15           HA       ILE  15   1.708   4.508  -9.036
  106    HB   ILE  15           HB       ILE  15   1.867   2.459 -10.350
  107   1HG1  ILE  15          1HG1      ILE  15  -1.054   2.970 -10.968
  108   2HG1  ILE  15          2HG1      ILE  15   0.272   2.936 -12.126
  109   1HG2  ILE  15          1HG2      ILE  15   0.297   1.088  -8.985
  110   2HG2  ILE  15          2HG2      ILE  15  -0.434   2.588  -8.415
  111   3HG2  ILE  15          3HG2      ILE  15   1.256   2.239  -8.053
  112   1HD1  ILE  15          1HD1      ILE  15   0.300   0.477 -10.739
  113   2HD1  ILE  15          2HD1      ILE  15  -0.072   0.782 -12.436
  114   3HD1  ILE  15          3HD1      ILE  15  -1.362   0.802 -11.234
  115    H    ALA  16           H        ALA  16  -0.183   4.824 -12.035
  116    HA   ALA  16           HA       ALA  16   1.774   5.047 -13.897
  117   1HB   ALA  16          1HB       ALA  16  -0.646   6.838 -13.806
  118   2HB   ALA  16          2HB       ALA  16  -0.660   5.157 -14.339
  119   3HB   ALA  16          3HB       ALA  16   0.270   6.358 -15.235
  120    H    GLN  17           H        GLN  17   3.664   6.034 -13.494
  121    HA   GLN  17           HA       GLN  17   5.188   7.659 -12.983
  122   1HB   GLN  17          1HB       GLN  17   3.171   9.298 -14.527
  123   2HB   GLN  17          2HB       GLN  17   4.842   9.757 -14.230
  124   1HG   GLN  17          1HG       GLN  17   5.607   7.820 -15.502
  125   2HG   GLN  17          2HG       GLN  17   3.928   7.352 -15.796
  126   1HE2  GLN  17          1HE2      GLN  17   6.512   8.776 -17.160
  127   2HE2  GLN  17          2HE2      GLN  17   5.728   9.800 -18.309
  128    H    ASP  18           H        ASP  18   5.017   7.792 -10.735
  129    HA   ASP  18           HA       ASP  18   4.318  10.320  -9.722
  130   1HB   ASP  18          1HB       ASP  18   2.032   9.226 -10.047
  131   2HB   ASP  18          2HB       ASP  18   2.480   8.145  -8.731
  132    H    LYS  19           H        LYS  19   6.579   8.661  -9.611
  133    HA   LYS  19           HA       LYS  19   8.187   7.995  -8.141
  134   1HB   LYS  19          1HB       LYS  19   6.315   9.288  -6.169
  135   2HB   LYS  19          2HB       LYS  19   7.954   8.792  -5.792
  136   1HG   LYS  19          1HG       LYS  19   8.012  11.119  -6.168
  137   2HG   LYS  19          2HG       LYS  19   8.740  10.354  -7.581
  138   1HD   LYS  19          1HD       LYS  19   6.719  10.665  -8.855
  139   2HD   LYS  19          2HD       LYS  19   5.870  11.274  -7.432
  140   1HE   LYS  19          1HE       LYS  19   6.551  13.095  -8.906
  141   2HE   LYS  19          2HE       LYS  19   7.379  13.190  -7.352
  142   1HZ   LYS  19          1HZ       LYS  19   8.934  13.604  -9.105
  143   2HZ   LYS  19          2HZ       LYS  19   8.510  12.174  -9.903
  144   3HZ   LYS  19          3HZ       LYS  19   9.306  12.106  -8.412
  145    H    LEU  20           H        LEU  20   7.841   7.060  -5.461
  146    HA   LEU  20           HA       LEU  20   6.654   4.465  -6.066
  147   1HB   LEU  20          1HB       LEU  20   8.933   4.388  -5.292
  148   2HB   LEU  20          2HB       LEU  20   8.534   5.377  -3.888
  149    HG   LEU  20           HG       LEU  20   7.108   3.548  -3.032
  150   1HD1  LEU  20          1HD1      LEU  20   8.216   1.467  -4.712
  151   2HD1  LEU  20          2HD1      LEU  20   7.217   2.600  -5.623
  152   3HD1  LEU  20          3HD1      LEU  20   6.548   1.763  -4.223
  153   1HD2  LEU  20          1HD2      LEU  20  10.019   3.311  -3.461
  154   2HD2  LEU  20          2HD2      LEU  20   9.186   1.867  -2.890
  155   3HD2  LEU  20          3HD2      LEU  20   9.089   3.362  -1.963
  156    H    VAL  21           H        VAL  21   4.690   4.062  -5.389
  157    HA   VAL  21           HA       VAL  21   3.608   5.543  -3.104
  158    HB   VAL  21           HB       VAL  21   2.137   3.886  -5.160
  159   1HG1  VAL  21          1HG1      VAL  21   1.120   4.188  -2.837
  160   2HG1  VAL  21          2HG1      VAL  21   0.129   4.644  -4.221
  161   3HG1  VAL  21          3HG1      VAL  21   0.941   5.887  -3.269
  162   1HG2  VAL  21          1HG2      VAL  21   3.007   6.699  -5.114
  163   2HG2  VAL  21          2HG2      VAL  21   1.330   6.427  -5.589
  164   3HG2  VAL  21          3HG2      VAL  21   2.637   5.646  -6.479
  165    H    VAL  22           H        VAL  22   2.923   4.538  -1.281
  166    HA   VAL  22           HA       VAL  22   3.550   1.684  -1.040
  167    HB   VAL  22           HB       VAL  22   2.992   3.687   1.154
  168   1HG1  VAL  22          1HG1      VAL  22   4.418   1.718   2.311
  169   2HG1  VAL  22          2HG1      VAL  22   3.532   0.790   1.103
  170   3HG1  VAL  22          3HG1      VAL  22   2.656   1.763   2.284
  171   1HG2  VAL  22          1HG2      VAL  22   5.557   2.762  -0.104
  172   2HG2  VAL  22          2HG2      VAL  22   5.502   3.419   1.531
  173   3HG2  VAL  22          3HG2      VAL  22   4.992   4.411   0.167
  174    H    VAL  23           H        VAL  23   1.669   0.876  -2.026
  175    HA   VAL  23           HA       VAL  23  -0.881   1.496  -0.730
  176    HB   VAL  23           HB       VAL  23  -0.406  -0.143  -3.220
  177   1HG1  VAL  23          1HG1      VAL  23  -2.635  -0.381  -3.409
  178   2HG1  VAL  23          2HG1      VAL  23  -2.966   1.234  -2.779
  179   3HG1  VAL  23          3HG1      VAL  23  -2.622  -0.091  -1.668
  180   1HG2  VAL  23          1HG2      VAL  23  -0.058   1.738  -4.345
  181   2HG2  VAL  23          2HG2      VAL  23  -0.153   2.660  -2.845
  182   3HG2  VAL  23          3HG2      VAL  23  -1.609   2.363  -3.790
  183    H    ASP  24           H        ASP  24  -1.664   0.189   0.764
  184    HA   ASP  24           HA       ASP  24  -0.598  -2.529   0.999
  185   1HB   ASP  24          1HB       ASP  24  -0.444  -1.088   2.990
  186   2HB   ASP  24          2HB       ASP  24  -2.201  -0.872   2.968
  187    H    PHE  25           H        PHE  25  -1.858  -4.309   0.716
  188    HA   PHE  25           HA       PHE  25  -4.608  -3.879  -0.155
  189   1HB   PHE  25          1HB       PHE  25  -2.609  -6.108  -0.504
  190   2HB   PHE  25          2HB       PHE  25  -4.313  -6.322  -0.896
  191    HD1  PHE  25           HD1      PHE  25  -1.867  -3.557  -1.518
  192    HD2  PHE  25           HD2      PHE  25  -4.617  -6.367  -3.134
  193    HE1  PHE  25           HE1      PHE  25  -1.426  -2.678  -3.771
  194    HE2  PHE  25           HE2      PHE  25  -4.199  -5.483  -5.386
  195    HZ   PHE  25           HZ       PHE  25  -2.607  -3.635  -5.711
  196    H    TYR  26           H        TYR  26  -4.510  -3.550   2.484
  197    HA   TYR  26           HA       TYR  26  -4.581  -5.731   4.168
  198   1HB   TYR  26          1HB       TYR  26  -6.245  -4.331   5.522
  199   2HB   TYR  26          2HB       TYR  26  -4.667  -3.624   5.204
  200    HD1  TYR  26           HD1      TYR  26  -7.947  -3.781   3.388
  201    HD2  TYR  26           HD2      TYR  26  -4.749  -1.364   4.811
  202    HE1  TYR  26           HE1      TYR  26  -9.027  -1.802   2.429
  203    HE2  TYR  26           HE2      TYR  26  -5.831   0.626   3.875
  204    HH   TYR  26           HH       TYR  26  -8.478   0.429   1.706
  205    H    ALA  27           H        ALA  27  -6.046  -7.277   4.715
  206    HA   ALA  27           HA       ALA  27  -8.027  -7.947   2.799
  207   1HB   ALA  27          1HB       ALA  27  -7.516  -9.051   5.558
  208   2HB   ALA  27          2HB       ALA  27  -6.910  -9.688   4.029
  209   3HB   ALA  27          3HB       ALA  27  -8.635  -9.748   4.387
  210    H    THR  28           H        THR  28 -10.203  -7.669   2.806
  211    HA   THR  28           HA       THR  28 -11.309  -5.511   4.172
  212    HB   THR  28           HB       THR  28 -12.284  -6.262   2.116
  213    HG1  THR  28           HG1      THR  28 -14.478  -6.418   2.775
  214   1HG2  THR  28          1HG2      THR  28 -13.229  -8.315   1.679
  215   2HG2  THR  28          2HG2      THR  28 -13.418  -8.711   3.387
  216   3HG2  THR  28          3HG2      THR  28 -11.820  -8.752   2.644
  217    H    TRP  29           H        TRP  29 -10.683  -8.645   5.301
  218    HA   TRP  29           HA       TRP  29 -12.588  -8.321   7.513
  219   1HB   TRP  29          1HB       TRP  29 -12.185 -10.847   7.813
  220   2HB   TRP  29          2HB       TRP  29 -13.135 -10.333   6.414
  221    HD1  TRP  29           HD1      TRP  29 -11.665 -10.174   4.029
  222    HE1  TRP  29           HE1      TRP  29  -9.840 -11.766   3.170
  223    HE3  TRP  29           HE3      TRP  29 -10.390 -12.430   8.447
  224    HZ2  TRP  29           HZ2      TRP  29  -8.089 -13.704   4.214
  225    HZ3  TRP  29           HZ3      TRP  29  -8.625 -14.125   8.431
  226    HH2  TRP  29           HH2      TRP  29  -7.498 -14.764   6.355
  227    H    CYS  30           H        CYS  30 -10.547 -10.727   8.381
  228    HA   CYS  30           HA       CYS  30  -8.908 -10.990   9.893
  229   1HB   CYS  30          1HB       CYS  30  -7.454 -10.052   8.223
  230   2HB   CYS  30          2HB       CYS  30  -7.979  -8.419   8.624
  231    HG   CYS  30           HG       CYS  30  -5.596  -9.145   9.695
  232    H    GLY  31           H        GLY  31  -8.881  -7.436  10.056
  233   1HA   GLY  31          1HA       GLY  31 -10.590  -6.672  11.903
  234   2HA   GLY  31          2HA       GLY  31  -9.529  -7.648  12.903
  235    HA   PRO  32           HA       PRO  32  -6.889  -4.223  13.655
  236   1HB   PRO  32          1HB       PRO  32  -4.380  -5.294  13.341
  237   2HB   PRO  32          2HB       PRO  32  -5.389  -5.523  14.772
  238   1HG   PRO  32          1HG       PRO  32  -4.979  -7.340  12.430
  239   2HG   PRO  32          2HG       PRO  32  -5.070  -7.739  14.156
  240   1HD   PRO  32          1HD       PRO  32  -7.152  -8.134  12.509
  241   2HD   PRO  32          2HD       PRO  32  -7.384  -7.612  14.192
  242    H    CYS  33           H        CYS  33  -6.492  -5.918  10.633
  243    HA   CYS  33           HA       CYS  33  -4.589  -4.426   9.325
  244   1HB   CYS  33          1HB       CYS  33  -7.149  -5.629   8.265
  245   2HB   CYS  33          2HB       CYS  33  -5.908  -4.916   7.227
  246    HG   CYS  33           HG       CYS  33  -4.842  -7.135   9.020
  247    H    LYS  34           H        LYS  34  -7.827  -3.467  10.209
  248    HA   LYS  34           HA       LYS  34  -7.921  -1.204   8.443
  249   1HB   LYS  34          1HB       LYS  34  -9.636  -2.046  10.777
  250   2HB   LYS  34          2HB       LYS  34  -9.920  -0.566   9.873
  251   1HG   LYS  34          1HG       LYS  34 -11.378  -2.341   9.107
  252   2HG   LYS  34          2HG       LYS  34 -10.253  -1.864   7.835
  253   1HD   LYS  34          1HD       LYS  34  -8.870  -3.797   8.283
  254   2HD   LYS  34          2HD       LYS  34  -9.893  -4.248   9.650
  255   1HE   LYS  34          1HE       LYS  34 -10.746  -4.121   6.759
  256   2HE   LYS  34          2HE       LYS  34 -10.398  -5.591   7.669
  257   1HZ   LYS  34          1HZ       LYS  34 -12.628  -3.686   8.084
  258   2HZ   LYS  34          2HZ       LYS  34 -12.211  -4.864   9.223
  259   3HZ   LYS  34          3HZ       LYS  34 -12.723  -5.326   7.679
  260    H    MET  35           H        MET  35  -6.808  -1.787  11.688
  261    HA   MET  35           HA       MET  35  -6.713   0.983  12.446
  262   1HB   MET  35          1HB       MET  35  -5.346  -1.433  13.638
  263   2HB   MET  35          2HB       MET  35  -5.410   0.161  14.378
  264   1HG   MET  35          1HG       MET  35  -7.845  -0.001  14.513
  265   2HG   MET  35          2HG       MET  35  -7.775  -1.603  13.782
  266   1HE   MET  35          1HE       MET  35  -6.770   0.596  16.841
  267   2HE   MET  35          2HE       MET  35  -5.217  -0.130  16.428
  268   3HE   MET  35          3HE       MET  35  -6.029  -0.579  17.928
  269    H    ILE  36           H        ILE  36  -5.093  -0.551  10.137
  270    HA   ILE  36           HA       ILE  36  -2.408   0.361  10.681
  271    HB   ILE  36           HB       ILE  36  -3.650  -1.019   8.309
  272   1HG1  ILE  36          1HG1      ILE  36  -1.766  -1.992  10.465
  273   2HG1  ILE  36          2HG1      ILE  36  -3.483  -2.370  10.351
  274   1HG2  ILE  36          1HG2      ILE  36  -1.919  -0.186   7.173
  275   2HG2  ILE  36          2HG2      ILE  36  -0.980  -1.402   8.039
  276   3HG2  ILE  36          3HG2      ILE  36  -1.040   0.257   8.636
  277   1HD1  ILE  36          1HD1      ILE  36  -2.774  -3.257   7.980
  278   2HD1  ILE  36          2HD1      ILE  36  -2.594  -4.243   9.432
  279   3HD1  ILE  36          3HD1      ILE  36  -1.200  -3.391   8.765
  280    H    ALA  37           H        ALA  37  -5.217   1.567   9.090
  281    HA   ALA  37           HA       ALA  37  -4.184   3.166   7.088
  282   1HB   ALA  37          1HB       ALA  37  -6.170   4.526   7.309
  283   2HB   ALA  37          2HB       ALA  37  -6.466   3.886   8.925
  284   3HB   ALA  37          3HB       ALA  37  -6.589   2.827   7.520
  285    HA   PRO  38           HA       PRO  38  -3.375   6.642  10.324
  286   1HB   PRO  38          1HB       PRO  38  -3.019   5.888  12.912
  287   2HB   PRO  38          2HB       PRO  38  -4.588   6.378  12.254
  288   1HG   PRO  38          1HG       PRO  38  -3.529   3.651  12.819
  289   2HG   PRO  38          2HG       PRO  38  -5.176   4.280  13.000
  290   1HD   PRO  38          1HD       PRO  38  -4.327   2.718  10.909
  291   2HD   PRO  38          2HD       PRO  38  -5.708   3.816  10.826
  292    H    MET  39           H        MET  39  -2.001   3.455  10.980
  293    HA   MET  39           HA       MET  39   0.590   4.362  11.697
  294   1HB   MET  39          1HB       MET  39  -0.178   2.093  12.219
  295   2HB   MET  39          2HB       MET  39  -0.285   1.714  10.512
  296   1HG   MET  39          1HG       MET  39   2.106   2.002  10.320
  297   2HG   MET  39          2HG       MET  39   2.219   2.386  12.029
  298   1HE   MET  39          1HE       MET  39   3.869  -1.145  11.913
  299   2HE   MET  39          2HE       MET  39   4.077   0.567  12.280
  300   3HE   MET  39          3HE       MET  39   3.964   0.031  10.603
  301    H    ILE  40           H        ILE  40  -0.755   3.079   8.665
  302    HA   ILE  40           HA       ILE  40   1.445   3.319   7.016
  303    HB   ILE  40           HB       ILE  40  -1.483   3.755   6.390
  304   1HG1  ILE  40          1HG1      ILE  40   0.368   1.405   5.944
  305   2HG1  ILE  40          2HG1      ILE  40  -0.887   1.518   7.169
  306   1HG2  ILE  40          1HG2      ILE  40   0.806   3.412   4.445
  307   2HG2  ILE  40          2HG2      ILE  40  -0.118   4.892   4.701
  308   3HG2  ILE  40          3HG2      ILE  40  -0.906   3.467   4.028
  309   1HD1  ILE  40          1HD1      ILE  40  -2.570   1.161   5.679
  310   2HD1  ILE  40          2HD1      ILE  40  -1.276   0.257   4.890
  311   3HD1  ILE  40          3HD1      ILE  40  -1.680   1.882   4.337
  312    H    GLU  41           H        GLU  41  -0.607   5.797   8.326
  313    HA   GLU  41           HA       GLU  41   0.266   7.883   6.561
  314   1HB   GLU  41          1HB       GLU  41  -1.918   7.993   7.651
  315   2HB   GLU  41          2HB       GLU  41  -1.149   7.995   9.231
  316   1HG   GLU  41          1HG       GLU  41  -0.105  10.144   8.721
  317   2HG   GLU  41          2HG       GLU  41  -0.877  10.142   7.137
  318    H    LYS  42           H        LYS  42   1.150   6.681   9.738
  319    HA   LYS  42           HA       LYS  42   2.812   8.758  10.576
  320   1HB   LYS  42          1HB       LYS  42   2.964   5.794  11.149
  321   2HB   LYS  42          2HB       LYS  42   3.906   7.015  11.995
  322   1HG   LYS  42          1HG       LYS  42   1.899   8.027  12.860
  323   2HG   LYS  42          2HG       LYS  42   0.900   6.923  11.916
  324   1HD   LYS  42          1HD       LYS  42   0.984   6.166  14.205
  325   2HD   LYS  42          2HD       LYS  42   1.857   5.028  13.181
  326   1HE   LYS  42          1HE       LYS  42   3.208   7.234  14.721
  327   2HE   LYS  42          2HE       LYS  42   2.956   5.619  15.379
  328   1HZ   LYS  42          1HZ       LYS  42   4.942   6.536  13.551
  329   2HZ   LYS  42          2HZ       LYS  42   4.105   5.205  12.927
  330   3HZ   LYS  42          3HZ       LYS  42   4.874   5.091  14.428
  331    H    PHE  43           H        PHE  43   3.277   6.394   8.117
  332    HA   PHE  43           HA       PHE  43   6.161   6.744   8.080
  333   1HB   PHE  43          1HB       PHE  43   4.305   5.071   6.383
  334   2HB   PHE  43          2HB       PHE  43   6.048   5.156   6.132
  335    HD1  PHE  43           HD1      PHE  43   3.729   4.665   9.017
  336    HD2  PHE  43           HD2      PHE  43   7.226   3.384   6.958
  337    HE1  PHE  43           HE1      PHE  43   4.047   2.877  10.679
  338    HE2  PHE  43           HE2      PHE  43   7.552   1.593   8.615
  339    HZ   PHE  43           HZ       PHE  43   5.960   1.338  10.478
  340    H    SER  44           H        SER  44   3.366   8.025   6.542
  341    HA   SER  44           HA       SER  44   4.540   8.897   4.127
  342   1HB   SER  44          1HB       SER  44   2.112   8.791   4.417
  343   2HB   SER  44          2HB       SER  44   2.196  10.055   5.656
  344    HG   SER  44           HG       SER  44   3.016  11.456   4.027
  345    H    GLU  45           H        GLU  45   5.089   9.899   7.307
  346    HA   GLU  45           HA       GLU  45   5.712  12.651   6.648
  347   1HB   GLU  45          1HB       GLU  45   6.120  11.093   9.207
  348   2HB   GLU  45          2HB       GLU  45   6.376  12.824   9.019
  349   1HG   GLU  45          1HG       GLU  45   4.008  13.116   8.493
  350   2HG   GLU  45          2HG       GLU  45   3.753  11.382   8.686
  351    H    GLN  46           H        GLN  46   7.364   9.615   6.910
  352    HA   GLN  46           HA       GLN  46   9.983  10.869   7.026
  353   1HB   GLN  46          1HB       GLN  46   9.173   7.964   6.904
  354   2HB   GLN  46          2HB       GLN  46  10.829   8.538   7.058
  355   1HG   GLN  46          1HG       GLN  46  10.263   9.610   9.174
  356   2HG   GLN  46          2HG       GLN  46   8.606   9.029   9.022
  357   1HE2  GLN  46          1HE2      GLN  46   8.188   7.324  10.206
  358   2HE2  GLN  46          2HE2      GLN  46   9.312   6.056  10.619
  359    H    TYR  47           H        TYR  47   7.867   9.381   4.690
  360    HA   TYR  47           HA       TYR  47   9.937   9.813   2.634
  361   1HB   TYR  47          1HB       TYR  47   7.811   7.667   2.698
  362   2HB   TYR  47          2HB       TYR  47   8.935   7.944   1.371
  363    HD1  TYR  47           HD1      TYR  47  11.460   7.798   1.949
  364    HD2  TYR  47           HD2      TYR  47   8.378   6.208   4.408
  365    HE1  TYR  47           HE1      TYR  47  13.098   6.314   3.029
  366    HE2  TYR  47           HE2      TYR  47  10.005   4.709   5.491
  367    HH   TYR  47           HH       TYR  47  12.185   3.711   5.021
  368    HA   PRO  48           HA       PRO  48   5.820  12.420   2.261
  369   1HB   PRO  48          1HB       PRO  48   8.103  14.237   1.604
  370   2HB   PRO  48          2HB       PRO  48   6.554  14.616   2.366
  371   1HG   PRO  48          1HG       PRO  48   8.810  14.318   3.802
  372   2HG   PRO  48          2HG       PRO  48   7.222  13.840   4.425
  373   1HD   PRO  48          1HD       PRO  48   9.487  12.154   3.603
  374   2HD   PRO  48          2HD       PRO  48   8.079  11.747   4.607
  375    H    GLN  49           H        GLN  49   8.722  11.951   0.347
  376    HA   GLN  49           HA       GLN  49   7.710  12.893  -2.109
  377   1HB   GLN  49          1HB       GLN  49   9.852  10.823  -1.591
  378   2HB   GLN  49          2HB       GLN  49   9.547  11.587  -3.145
  379   1HG   GLN  49          1HG       GLN  49  10.373  13.027  -0.633
  380   2HG   GLN  49          2HG       GLN  49  11.455  12.564  -1.942
  381   1HE2  GLN  49          1HE2      GLN  49   8.816  13.299  -3.616
  382   2HE2  GLN  49          2HE2      GLN  49   9.039  14.992  -3.851
  383    H    ALA  50           H        ALA  50   7.596   9.756  -0.543
  384    HA   ALA  50           HA       ALA  50   6.258   8.533  -2.820
  385   1HB   ALA  50          1HB       ALA  50   7.514   7.572  -0.321
  386   2HB   ALA  50          2HB       ALA  50   7.585   6.912  -1.955
  387   3HB   ALA  50          3HB       ALA  50   6.167   6.621  -0.947
  388    H    ASP  51           H        ASP  51   4.113   8.011  -2.901
  389    HA   ASP  51           HA       ASP  51   2.403   9.267  -0.910
  390   1HB   ASP  51          1HB       ASP  51   1.747   7.947  -3.553
  391   2HB   ASP  51          2HB       ASP  51   0.568   8.730  -2.503
  392    H    PHE  52           H        PHE  52   1.389   8.203   0.654
  393    HA   PHE  52           HA       PHE  52   1.560   5.285   0.662
  394   1HB   PHE  52          1HB       PHE  52   1.022   7.277   2.867
  395   2HB   PHE  52          2HB       PHE  52   0.947   5.523   3.089
  396    HD1  PHE  52           HD1      PHE  52   3.299   7.998   1.561
  397    HD2  PHE  52           HD2      PHE  52   2.787   4.586   4.052
  398    HE1  PHE  52           HE1      PHE  52   5.723   7.942   1.974
  399    HE2  PHE  52           HE2      PHE  52   5.210   4.526   4.470
  400    HZ   PHE  52           HZ       PHE  52   6.681   6.204   3.431
  401    H    TYR  53           H        TYR  53  -0.145   4.836  -0.754
  402    HA   TYR  53           HA       TYR  53  -2.831   5.618   0.108
  403   1HB   TYR  53          1HB       TYR  53  -1.715   4.466  -2.434
  404   2HB   TYR  53          2HB       TYR  53  -3.438   4.358  -2.086
  405    HD1  TYR  53           HD1      TYR  53  -4.536   6.663  -1.355
  406    HD2  TYR  53           HD2      TYR  53  -0.973   6.288  -3.648
  407    HE1  TYR  53           HE1      TYR  53  -4.876   8.928  -2.244
  408    HE2  TYR  53           HE2      TYR  53  -1.299   8.556  -4.540
  409    HH   TYR  53           HH       TYR  53  -3.060  10.166  -4.875
  410    H    LYS  54           H        LYS  54  -4.415   3.588  -0.571
  411    HA   LYS  54           HA       LYS  54  -3.322   1.112   0.459
  412   1HB   LYS  54          1HB       LYS  54  -5.604   2.506   1.863
  413   2HB   LYS  54          2HB       LYS  54  -4.976   0.911   2.247
  414   1HG   LYS  54          1HG       LYS  54  -2.767   1.983   2.720
  415   2HG   LYS  54          2HG       LYS  54  -3.560   3.546   2.538
  416   1HD   LYS  54          1HD       LYS  54  -4.226   1.419   4.571
  417   2HD   LYS  54          2HD       LYS  54  -3.414   2.952   4.882
  418   1HE   LYS  54          1HE       LYS  54  -6.242   2.576   3.920
  419   2HE   LYS  54          2HE       LYS  54  -5.742   3.094   5.527
  420   1HZ   LYS  54          1HZ       LYS  54  -4.838   5.101   4.598
  421   2HZ   LYS  54          2HZ       LYS  54  -6.445   4.946   4.097
  422   3HZ   LYS  54          3HZ       LYS  54  -5.188   4.592   3.022
  423    H    LEU  55           H        LEU  55  -4.352  -0.670  -0.262
  424    HA   LEU  55           HA       LEU  55  -6.465  -0.231  -2.225
  425   1HB   LEU  55          1HB       LEU  55  -4.364  -1.494  -2.776
  426   2HB   LEU  55          2HB       LEU  55  -4.891  -2.741  -1.665
  427    HG   LEU  55           HG       LEU  55  -5.325  -3.257  -4.063
  428   1HD1  LEU  55          1HD1      LEU  55  -8.042  -3.123  -2.998
  429   2HD1  LEU  55          2HD1      LEU  55  -6.861  -3.799  -1.876
  430   3HD1  LEU  55          3HD1      LEU  55  -7.072  -4.516  -3.473
  431   1HD2  LEU  55          1HD2      LEU  55  -5.883  -0.914  -4.703
  432   2HD2  LEU  55          2HD2      LEU  55  -7.423  -1.106  -3.867
  433   3HD2  LEU  55          3HD2      LEU  55  -7.047  -2.114  -5.264
  434    H    ASP  56           H        ASP  56  -8.508  -0.828  -1.943
  435    HA   ASP  56           HA       ASP  56  -9.293  -1.982   0.576
  436   1HB   ASP  56          1HB       ASP  56 -10.773  -0.759  -1.743
  437   2HB   ASP  56          2HB       ASP  56 -11.604  -1.514  -0.392
  438    H    VAL  57           H        VAL  57  -9.272  -4.121   0.779
  439    HA   VAL  57           HA       VAL  57  -9.611  -5.889  -1.469
  440    HB   VAL  57           HB       VAL  57  -9.338  -6.454   1.494
  441   1HG1  VAL  57          1HG1      VAL  57  -9.514  -8.332  -0.858
  442   2HG1  VAL  57          2HG1      VAL  57 -10.483  -8.331   0.615
  443   3HG1  VAL  57          3HG1      VAL  57  -8.783  -8.799   0.678
  444   1HG2  VAL  57          1HG2      VAL  57  -7.069  -7.101   0.944
  445   2HG2  VAL  57          2HG2      VAL  57  -7.367  -5.456   0.386
  446   3HG2  VAL  57          3HG2      VAL  57  -7.361  -6.790  -0.768
  447    H    ASP  58           H        ASP  58 -11.757  -4.179   0.389
  448    HA   ASP  58           HA       ASP  58 -13.806  -6.210   0.607
  449   1HB   ASP  58          1HB       ASP  58 -13.584  -4.441   2.321
  450   2HB   ASP  58          2HB       ASP  58 -13.951  -3.227   1.102
  451    H    GLU  59           H        GLU  59 -13.481  -3.102  -1.106
  452    HA   GLU  59           HA       GLU  59 -15.712  -3.771  -2.834
  453   1HB   GLU  59          1HB       GLU  59 -15.490  -1.482  -1.991
  454   2HB   GLU  59          2HB       GLU  59 -13.919  -1.338  -2.765
  455   1HG   GLU  59          1HG       GLU  59 -15.595  -0.204  -4.070
  456   2HG   GLU  59          2HG       GLU  59 -14.980  -1.597  -4.956
  457    H    LEU  60           H        LEU  60 -12.304  -4.090  -2.879
  458    HA   LEU  60           HA       LEU  60 -12.417  -4.710  -5.755
  459   1HB   LEU  60          1HB       LEU  60 -10.078  -3.488  -4.288
  460   2HB   LEU  60          2HB       LEU  60 -10.114  -3.929  -5.983
  461    HG   LEU  60           HG       LEU  60 -11.923  -2.237  -6.323
  462   1HD1  LEU  60          1HD1      LEU  60 -11.682  -2.090  -3.434
  463   2HD1  LEU  60          2HD1      LEU  60 -12.970  -1.520  -4.494
  464   3HD1  LEU  60          3HD1      LEU  60 -11.555  -0.512  -4.206
  465   1HD2  LEU  60          1HD2      LEU  60  -9.619  -1.725  -6.884
  466   2HD2  LEU  60          2HD2      LEU  60  -9.298  -1.241  -5.219
  467   3HD2  LEU  60          3HD2      LEU  60 -10.413  -0.301  -6.212
  468    H    GLY  61           H        GLY  61 -12.973  -6.776  -4.306
  469   1HA   GLY  61          1HA       GLY  61 -10.859  -8.190  -3.099
  470   2HA   GLY  61          2HA       GLY  61 -12.338  -8.905  -3.726
  471    H    ASP  62           H        ASP  62 -11.485  -7.538  -6.394
  472    HA   ASP  62           HA       ASP  62 -10.192  -9.869  -7.442
  473   1HB   ASP  62          1HB       ASP  62 -10.958  -7.308  -8.774
  474   2HB   ASP  62          2HB       ASP  62 -10.400  -8.742  -9.611
  475    H    VAL  63           H        VAL  63  -9.233  -6.636  -6.557
  476    HA   VAL  63           HA       VAL  63  -6.752  -6.679  -7.973
  477    HB   VAL  63           HB       VAL  63  -7.469  -4.943  -5.605
  478   1HG1  VAL  63          1HG1      VAL  63  -5.866  -3.664  -7.591
  479   2HG1  VAL  63          2HG1      VAL  63  -5.110  -5.192  -7.140
  480   3HG1  VAL  63          3HG1      VAL  63  -5.485  -3.993  -5.901
  481   1HG2  VAL  63          1HG2      VAL  63  -7.880  -4.301  -8.520
  482   2HG2  VAL  63          2HG2      VAL  63  -8.370  -3.339  -7.125
  483   3HG2  VAL  63          3HG2      VAL  63  -9.160  -4.881  -7.454
  484    H    ALA  64           H        ALA  64  -7.819  -7.796  -4.859
  485    HA   ALA  64           HA       ALA  64  -5.143  -8.134  -3.777
  486   1HB   ALA  64          1HB       ALA  64  -6.875  -9.729  -2.298
  487   2HB   ALA  64          2HB       ALA  64  -7.872  -8.366  -2.804
  488   3HB   ALA  64          3HB       ALA  64  -6.378  -8.082  -1.913
  489    H    GLN  65           H        GLN  65  -7.455  -9.914  -5.655
  490    HA   GLN  65           HA       GLN  65  -6.040 -12.431  -5.325
  491   1HB   GLN  65          1HB       GLN  65  -8.489 -11.708  -6.943
  492   2HB   GLN  65          2HB       GLN  65  -7.810 -13.326  -6.831
  493   1HG   GLN  65          1HG       GLN  65  -8.889 -11.720  -4.524
  494   2HG   GLN  65          2HG       GLN  65  -9.739 -13.017  -5.360
  495   1HE2  GLN  65          1HE2      GLN  65  -9.693 -14.873  -4.338
  496   2HE2  GLN  65          2HE2      GLN  65  -8.431 -15.446  -3.306
  497    H    LYS  66           H        LYS  66  -6.416  -9.837  -7.653
  498    HA   LYS  66           HA       LYS  66  -5.406 -11.139  -9.924
  499   1HB   LYS  66          1HB       LYS  66  -5.123  -8.996 -10.895
  500   2HB   LYS  66          2HB       LYS  66  -6.509  -8.843  -9.825
  501   1HG   LYS  66          1HG       LYS  66  -5.114  -7.778  -8.148
  502   2HG   LYS  66          2HG       LYS  66  -3.707  -7.945  -9.195
  503   1HD   LYS  66          1HD       LYS  66  -6.201  -6.378  -9.846
  504   2HD   LYS  66          2HD       LYS  66  -4.673  -5.688  -9.299
  505   1HE   LYS  66          1HE       LYS  66  -5.111  -7.258 -11.838
  506   2HE   LYS  66          2HE       LYS  66  -4.898  -5.512 -11.720
  507   1HZ   LYS  66          1HZ       LYS  66  -2.753  -5.973 -12.058
  508   2HZ   LYS  66          2HZ       LYS  66  -2.926  -7.609 -11.666
  509   3HZ   LYS  66          3HZ       LYS  66  -2.720  -6.463 -10.439
  510    H    ASN  67           H        ASN  67  -3.749  -9.245  -7.418
  511    HA   ASN  67           HA       ASN  67  -1.152  -9.886  -8.484
  512   1HB   ASN  67          1HB       ASN  67  -2.069  -8.377  -6.029
  513   2HB   ASN  67          2HB       ASN  67  -0.382  -8.582  -6.497
  514   1HD2  ASN  67          1HD2      ASN  67  -2.877  -6.507  -6.574
  515   2HD2  ASN  67          2HD2      ASN  67  -2.449  -5.565  -7.976
  516    H    GLU  68           H        GLU  68  -3.336 -11.627  -6.808
  517    HA   GLU  68           HA       GLU  68  -3.253 -13.532  -5.591
  518   1HB   GLU  68          1HB       GLU  68  -0.285 -13.397  -6.145
  519   2HB   GLU  68          2HB       GLU  68  -1.139 -14.792  -5.502
  520   1HG   GLU  68          1HG       GLU  68  -2.443 -14.947  -7.559
  521   2HG   GLU  68          2HG       GLU  68  -1.589 -13.547  -8.205
  522    H    VAL  69           H        VAL  69  -3.211 -11.030  -4.227
  523    HA   VAL  69           HA       VAL  69  -1.546 -11.689  -1.884
  524    HB   VAL  69           HB       VAL  69  -2.734  -9.011  -2.621
  525   1HG1  VAL  69          1HG1      VAL  69  -0.794  -9.785  -0.439
  526   2HG1  VAL  69          2HG1      VAL  69  -2.485  -9.331  -0.215
  527   3HG1  VAL  69          3HG1      VAL  69  -1.330  -8.147  -0.820
  528   1HG2  VAL  69          1HG2      VAL  69  -0.675 -10.159  -3.913
  529   2HG2  VAL  69          2HG2      VAL  69   0.191  -9.412  -2.570
  530   3HG2  VAL  69          3HG2      VAL  69  -0.801  -8.421  -3.638
  531    H    SER  70           H        SER  70  -3.280 -13.241  -1.336
  532    HA   SER  70           HA       SER  70  -5.789 -12.077  -0.442
  533   1HB   SER  70          1HB       SER  70  -6.444 -14.398   0.063
  534   2HB   SER  70          2HB       SER  70  -5.852 -14.237  -1.599
  535    HG   SER  70           HG       SER  70  -5.043 -16.032  -0.103
  536    H    ALA  71           H        ALA  71  -2.838 -12.057   0.843
  537    HA   ALA  71           HA       ALA  71  -3.091 -13.142   3.414
  538   1HB   ALA  71          1HB       ALA  71  -1.495 -10.670   3.101
  539   2HB   ALA  71          2HB       ALA  71  -1.059 -12.040   2.078
  540   3HB   ALA  71          3HB       ALA  71  -1.066 -12.216   3.833
  541    H    MET  72           H        MET  72  -2.472 -10.887   5.097
  542    HA   MET  72           HA       MET  72  -4.440  -8.892   4.944
  543   1HB   MET  72          1HB       MET  72  -6.016  -9.607   6.633
  544   2HB   MET  72          2HB       MET  72  -5.977 -10.760   5.309
  545   1HG   MET  72          1HG       MET  72  -4.598 -11.091   7.956
  546   2HG   MET  72          2HG       MET  72  -6.120 -11.836   7.494
  547   1HE   MET  72          1HE       MET  72  -4.885 -13.471   4.206
  548   2HE   MET  72          2HE       MET  72  -6.216 -12.703   5.071
  549   3HE   MET  72          3HE       MET  72  -5.801 -14.384   5.404
  550    HA   PRO  73           HA       PRO  73  -3.607  -7.286   4.746
  551   1HB   PRO  73          1HB       PRO  73  -2.196  -5.103   5.031
  552   2HB   PRO  73          2HB       PRO  73  -3.508  -5.413   6.188
  553   1HG   PRO  73          1HG       PRO  73  -0.566  -5.919   6.496
  554   2HG   PRO  73          2HG       PRO  73  -1.671  -5.111   7.616
  555   1HD   PRO  73          1HD       PRO  73  -0.959  -7.779   7.771
  556   2HD   PRO  73          2HD       PRO  73  -2.440  -7.084   8.470
  557    H    THR  74           H        THR  74  -1.646  -5.761   3.451
  558    HA   THR  74           HA       THR  74   0.781  -7.273   3.155
  559    HB   THR  74           HB       THR  74  -1.146  -7.161   0.833
  560    HG1  THR  74           HG1      THR  74  -0.203  -9.505   2.074
  561   1HG2  THR  74          1HG2      THR  74   0.617  -7.491  -0.463
  562   2HG2  THR  74          2HG2      THR  74   0.870  -9.031   0.357
  563   3HG2  THR  74          3HG2      THR  74   1.688  -7.583   0.932
  564    H    LEU  75           H        LEU  75   2.380  -6.158   1.981
  565    HA   LEU  75           HA       LEU  75   1.693  -3.356   1.395
  566   1HB   LEU  75          1HB       LEU  75   4.345  -4.575   2.167
  567   2HB   LEU  75          2HB       LEU  75   4.099  -2.887   1.763
  568    HG   LEU  75           HG       LEU  75   2.905  -4.336   4.126
  569   1HD1  LEU  75          1HD1      LEU  75   5.274  -2.599   3.740
  570   2HD1  LEU  75          2HD1      LEU  75   5.045  -3.986   4.805
  571   3HD1  LEU  75          3HD1      LEU  75   4.343  -2.424   5.227
  572   1HD2  LEU  75          1HD2      LEU  75   2.608  -1.505   3.149
  573   2HD2  LEU  75          2HD2      LEU  75   2.209  -2.015   4.789
  574   3HD2  LEU  75          3HD2      LEU  75   1.335  -2.696   3.417
  575    H    LEU  76           H        LEU  76   1.753  -2.724  -0.659
  576    HA   LEU  76           HA       LEU  76   3.467  -4.217  -2.534
  577   1HB   LEU  76          1HB       LEU  76   0.745  -3.022  -3.081
  578   2HB   LEU  76          2HB       LEU  76   1.790  -3.746  -4.300
  579    HG   LEU  76           HG       LEU  76   0.306  -5.100  -2.064
  580   1HD1  LEU  76          1HD1      LEU  76  -1.046  -5.826  -3.665
  581   2HD1  LEU  76          2HD1      LEU  76   0.306  -6.347  -4.671
  582   3HD1  LEU  76          3HD1      LEU  76  -0.255  -4.677  -4.744
  583   1HD2  LEU  76          1HD2      LEU  76   2.186  -6.334  -1.782
  584   2HD2  LEU  76          2HD2      LEU  76   2.823  -5.930  -3.376
  585   3HD2  LEU  76          3HD2      LEU  76   1.571  -7.161  -3.213
  586    H    LEU  77           H        LEU  77   4.888  -3.050  -3.650
  587    HA   LEU  77           HA       LEU  77   4.644  -0.117  -3.550
  588   1HB   LEU  77          1HB       LEU  77   7.091  -1.866  -3.810
  589   2HB   LEU  77          2HB       LEU  77   7.113  -0.119  -3.923
  590    HG   LEU  77           HG       LEU  77   6.281   0.022  -1.596
  591   1HD1  LEU  77          1HD1      LEU  77   6.663  -2.238  -0.320
  592   2HD1  LEU  77          2HD1      LEU  77   6.277  -2.940  -1.891
  593   3HD1  LEU  77          3HD1      LEU  77   5.117  -1.882  -1.088
  594   1HD2  LEU  77          1HD2      LEU  77   8.688   0.103  -2.113
  595   2HD2  LEU  77          2HD2      LEU  77   8.777  -1.643  -1.891
  596   3HD2  LEU  77          3HD2      LEU  77   8.361  -0.602  -0.531
  597    H    PHE  78           H        PHE  78   4.954   1.107  -5.400
  598    HA   PHE  78           HA       PHE  78   5.414  -0.281  -7.941
  599   1HB   PHE  78          1HB       PHE  78   3.015   1.506  -7.457
  600   2HB   PHE  78          2HB       PHE  78   3.427   0.690  -8.961
  601    HD1  PHE  78           HD1      PHE  78   3.467  -1.864  -8.948
  602    HD2  PHE  78           HD2      PHE  78   1.672   0.466  -5.873
  603    HE1  PHE  78           HE1      PHE  78   2.151  -3.816  -8.237
  604    HE2  PHE  78           HE2      PHE  78   0.355  -1.486  -5.160
  605    HZ   PHE  78           HZ       PHE  78   0.597  -3.631  -6.344
  606    H    LYS  79           H        LYS  79   6.802   0.904  -9.181
  607    HA   LYS  79           HA       LYS  79   6.986   3.797  -8.600
  608   1HB   LYS  79          1HB       LYS  79   9.097   1.821  -9.430
  609   2HB   LYS  79          2HB       LYS  79   9.326   3.553  -9.633
  610   1HG   LYS  79          1HG       LYS  79   9.014   3.865  -7.219
  611   2HG   LYS  79          2HG       LYS  79   8.830   2.123  -7.027
  612   1HD   LYS  79          1HD       LYS  79  11.273   3.535  -8.095
  613   2HD   LYS  79          2HD       LYS  79  11.101   2.849  -6.478
  614   1HE   LYS  79          1HE       LYS  79  10.809   0.625  -7.453
  615   2HE   LYS  79          2HE       LYS  79  10.972   1.310  -9.069
  616   1HZ   LYS  79          1HZ       LYS  79  13.127   1.855  -7.183
  617   2HZ   LYS  79          2HZ       LYS  79  13.196   1.546  -8.844
  618   3HZ   LYS  79          3HZ       LYS  79  13.004   0.267  -7.754
  619    H    ASN  80           H        ASN  80   6.692   5.244 -10.202
  620    HA   ASN  80           HA       ASN  80   5.952   6.042 -12.209
  621   1HB   ASN  80          1HB       ASN  80   8.085   4.138 -13.192
  622   2HB   ASN  80          2HB       ASN  80   7.387   5.455 -14.132
  623   1HD2  ASN  80          1HD2      ASN  80   8.621   7.170 -14.218
  624   2HD2  ASN  80          2HD2      ASN  80   9.691   7.728 -12.983
  625    H    GLY  81           H        GLY  81   4.090   4.344 -11.428
  626   1HA   GLY  81          1HA       GLY  81   2.350   3.048 -12.140
  627   2HA   GLY  81          2HA       GLY  81   2.814   3.524 -13.769
  628    H    LYS  82           H        LYS  82   5.252   1.923 -11.992
  629    HA   LYS  82           HA       LYS  82   4.719  -0.557 -13.485
  630   1HB   LYS  82          1HB       LYS  82   7.372   0.490 -12.476
  631   2HB   LYS  82          2HB       LYS  82   7.126  -0.965 -13.430
  632   1HG   LYS  82          1HG       LYS  82   6.624   1.857 -14.337
  633   2HG   LYS  82          2HG       LYS  82   7.967   0.819 -14.817
  634   1HD   LYS  82          1HD       LYS  82   6.390  -0.748 -15.838
  635   2HD   LYS  82          2HD       LYS  82   5.045   0.288 -15.355
  636   1HE   LYS  82          1HE       LYS  82   5.944   2.094 -16.740
  637   2HE   LYS  82          2HE       LYS  82   7.288   1.059 -17.219
  638   1HZ   LYS  82          1HZ       LYS  82   4.413   0.630 -17.824
  639   2HZ   LYS  82          2HZ       LYS  82   5.636  -0.484 -18.178
  640   3HZ   LYS  82          3HZ       LYS  82   5.634   1.032 -18.926
  641    H    GLU  83           H        GLU  83   6.764  -1.969 -11.986
  642    HA   GLU  83           HA       GLU  83   5.250  -2.407  -9.503
  643   1HB   GLU  83          1HB       GLU  83   5.651  -4.225 -11.391
  644   2HB   GLU  83          2HB       GLU  83   7.211  -4.388 -10.602
  645   1HG   GLU  83          1HG       GLU  83   5.743  -6.050  -9.734
  646   2HG   GLU  83          2HG       GLU  83   6.021  -4.859  -8.471
  647    H    VAL  84           H        VAL  84   6.769  -3.423  -7.753
  648    HA   VAL  84           HA       VAL  84   9.444  -2.325  -7.771
  649    HB   VAL  84           HB       VAL  84   7.503  -1.582  -5.671
  650   1HG1  VAL  84          1HG1      VAL  84   9.460  -1.682  -4.487
  651   2HG1  VAL  84          2HG1      VAL  84   9.523  -0.023  -5.082
  652   3HG1  VAL  84          3HG1      VAL  84  10.442  -1.288  -5.896
  653   1HG2  VAL  84          1HG2      VAL  84   7.235  -0.382  -7.829
  654   2HG2  VAL  84          2HG2      VAL  84   8.875   0.222  -7.627
  655   3HG2  VAL  84          3HG2      VAL  84   7.623   0.658  -6.467
  656    H    ALA  85           H        ALA  85   7.123  -3.626  -5.419
  657    HA   ALA  85           HA       ALA  85   8.458  -6.114  -5.163
  658   1HB   ALA  85          1HB       ALA  85  10.164  -4.820  -4.048
  659   2HB   ALA  85          2HB       ALA  85   9.324  -5.826  -2.869
  660   3HB   ALA  85          3HB       ALA  85   8.963  -4.104  -2.973
  661    H    LYS  86           H        LYS  86   7.559  -7.438  -3.391
  662    HA   LYS  86           HA       LYS  86   5.016  -6.451  -2.328
  663   1HB   LYS  86          1HB       LYS  86   3.891  -8.560  -2.966
  664   2HB   LYS  86          2HB       LYS  86   4.402  -7.621  -4.361
  665   1HG   LYS  86          1HG       LYS  86   6.360  -9.081  -4.612
  666   2HG   LYS  86          2HG       LYS  86   5.805 -10.038  -3.237
  667   1HD   LYS  86          1HD       LYS  86   3.749 -10.586  -4.444
  668   2HD   LYS  86          2HD       LYS  86   4.296  -9.621  -5.817
  669   1HE   LYS  86          1HE       LYS  86   6.227 -11.102  -6.081
  670   2HE   LYS  86          2HE       LYS  86   5.676 -12.066  -4.712
  671   1HZ   LYS  86          1HZ       LYS  86   4.621 -11.927  -7.435
  672   2HZ   LYS  86          2HZ       LYS  86   3.511 -12.175  -6.184
  673   3HZ   LYS  86          3HZ       LYS  86   4.788 -13.259  -6.408
  674    H    VAL  87           H        VAL  87   5.129  -6.682  -0.205
  675    HA   VAL  87           HA       VAL  87   6.221  -9.178   0.890
  676    HB   VAL  87           HB       VAL  87   6.859  -6.437   1.993
  677   1HG1  VAL  87          1HG1      VAL  87   8.443  -8.713   2.900
  678   2HG1  VAL  87          2HG1      VAL  87   6.740  -8.826   3.342
  679   3HG1  VAL  87          3HG1      VAL  87   7.686  -7.417   3.825
  680   1HG2  VAL  87          1HG2      VAL  87   8.332  -6.441   0.283
  681   2HG2  VAL  87          2HG2      VAL  87   8.261  -8.192   0.083
  682   3HG2  VAL  87          3HG2      VAL  87   9.253  -7.491   1.362
  683    H    VAL  88           H        VAL  88   4.302 -10.010   1.564
  684    HA   VAL  88           HA       VAL  88   2.153  -8.611   2.652
  685    HB   VAL  88           HB       VAL  88   1.761 -10.829   1.908
  686   1HG1  VAL  88          1HG1      VAL  88   3.844 -11.893   2.076
  687   2HG1  VAL  88          2HG1      VAL  88   2.810 -12.776   3.200
  688   3HG1  VAL  88          3HG1      VAL  88   3.962 -11.589   3.808
  689   1HG2  VAL  88          1HG2      VAL  88   0.803 -11.948   3.920
  690   2HG2  VAL  88          2HG2      VAL  88   0.334 -10.258   3.749
  691   3HG2  VAL  88          3HG2      VAL  88   1.570 -10.716   4.919
  692    H    GLY  89           H        GLY  89   2.058  -7.441   4.432
  693   1HA   GLY  89          1HA       GLY  89   2.178  -7.952   6.979
  694   2HA   GLY  89          2HA       GLY  89   3.903  -8.008   6.639
  695    H    ALA  90           H        ALA  90   4.582  -6.254   7.738
  696    HA   ALA  90           HA       ALA  90   4.965  -3.828   6.840
  697   1HB   ALA  90          1HB       ALA  90   2.808  -3.203   6.244
  698   2HB   ALA  90          2HB       ALA  90   3.017  -2.415   7.807
  699   3HB   ALA  90          3HB       ALA  90   2.090  -3.912   7.692
  700    H    ASN  91           H        ASN  91   5.814  -5.601   8.885
  701    HA   ASN  91           HA       ASN  91   5.383  -4.269  11.405
  702   1HB   ASN  91          1HB       ASN  91   7.066  -6.639  10.588
  703   2HB   ASN  91          2HB       ASN  91   6.932  -6.045  12.229
  704   1HD2  ASN  91          1HD2      ASN  91   5.840  -8.313  10.185
  705   2HD2  ASN  91          2HD2      ASN  91   4.301  -8.650  10.892
  706    HA   PRO  92           HA       PRO  92   8.710  -1.363  11.251
  707   1HB   PRO  92          1HB       PRO  92   9.324  -2.457  13.969
  708   2HB   PRO  92          2HB       PRO  92   9.193  -0.774  13.438
  709   1HG   PRO  92          1HG       PRO  92   7.196  -1.866  14.772
  710   2HG   PRO  92          2HG       PRO  92   6.864  -0.850  13.354
  711   1HD   PRO  92          1HD       PRO  92   6.784  -3.828  13.607
  712   2HD   PRO  92          2HD       PRO  92   5.717  -2.744  12.690
  713    H    ALA  93           H        ALA  93   9.847  -2.664   9.637
  714    HA   ALA  93           HA       ALA  93  12.480  -3.267  10.361
  715   1HB   ALA  93          1HB       ALA  93  11.280  -5.849   9.589
  716   2HB   ALA  93          2HB       ALA  93  10.937  -5.289  11.227
  717   3HB   ALA  93          3HB       ALA  93  12.606  -5.495  10.697
  718    H    ALA  94           H        ALA  94   9.836  -3.920   8.097
  719    HA   ALA  94           HA       ALA  94  11.784  -3.615   5.913
  720   1HB   ALA  94          1HB       ALA  94   9.676  -5.646   6.306
  721   2HB   ALA  94          2HB       ALA  94  11.244  -5.775   5.510
  722   3HB   ALA  94          3HB       ALA  94   9.886  -5.026   4.669
  723    H    ILE  95           H        ILE  95   8.380  -3.136   6.834
  724    HA   ILE  95           HA       ILE  95   7.494  -1.789   4.610
  725    HB   ILE  95           HB       ILE  95   5.963  -2.337   6.355
  726   1HG1  ILE  95          1HG1      ILE  95   4.707  -0.293   6.611
  727   2HG1  ILE  95          2HG1      ILE  95   6.143   0.681   6.309
  728   1HG2  ILE  95          1HG2      ILE  95   6.024  -1.031   8.526
  729   2HG2  ILE  95          2HG2      ILE  95   7.658  -0.550   8.068
  730   3HG2  ILE  95          3HG2      ILE  95   7.275  -2.254   8.302
  731   1HD1  ILE  95          1HD1      ILE  95   4.304  -0.610   4.440
  732   2HD1  ILE  95          2HD1      ILE  95   6.009  -0.805   4.039
  733   3HD1  ILE  95          3HD1      ILE  95   5.329   0.809   4.233
  734    H    LYS  96           H        LYS  96   9.919  -0.772   6.827
  735    HA   LYS  96           HA       LYS  96   9.635   2.037   6.078
  736   1HB   LYS  96          1HB       LYS  96  11.424   2.481   7.680
  737   2HB   LYS  96          2HB       LYS  96  10.132   1.553   8.422
  738   1HG   LYS  96          1HG       LYS  96  11.448  -0.472   8.264
  739   2HG   LYS  96          2HG       LYS  96  12.729   0.404   7.424
  740   1HD   LYS  96          1HD       LYS  96  13.265   0.098   9.790
  741   2HD   LYS  96          2HD       LYS  96  13.080   1.805   9.385
  742   1HE   LYS  96          1HE       LYS  96  11.992   1.319  11.497
  743   2HE   LYS  96          2HE       LYS  96  10.794   1.755  10.278
  744   1HZ   LYS  96          1HZ       LYS  96  10.113  -0.458  10.064
  745   2HZ   LYS  96          2HZ       LYS  96  10.278  -0.227  11.733
  746   3HZ   LYS  96          3HZ       LYS  96  11.473  -1.061  10.874
  747    H    GLN  97           H        GLN  97  12.065  -0.542   5.883
  748    HA   GLN  97           HA       GLN  97  13.875   0.961   4.294
  749   1HB   GLN  97          1HB       GLN  97  13.620  -2.035   4.630
  750   2HB   GLN  97          2HB       GLN  97  14.993  -1.205   3.908
  751   1HG   GLN  97          1HG       GLN  97  15.431  -0.085   6.035
  752   2HG   GLN  97          2HG       GLN  97  14.060  -0.922   6.755
  753   1HE2  GLN  97          1HE2      GLN  97  15.394  -3.072   4.649
  754   2HE2  GLN  97          2HE2      GLN  97  16.464  -3.895   5.722
  755    H    ALA  98           H        ALA  98  11.162  -1.124   3.611
  756    HA   ALA  98           HA       ALA  98  11.644  -1.598   0.882
  757   1HB   ALA  98          1HB       ALA  98   9.981  -2.858   2.120
  758   2HB   ALA  98          2HB       ALA  98   9.231  -2.069   0.733
  759   3HB   ALA  98          3HB       ALA  98   9.017  -1.401   2.351
  760    H    ILE  99           H        ILE  99  10.438   1.162   2.592
  761    HA   ILE  99           HA       ILE  99   9.495   2.481   0.178
  762    HB   ILE  99           HB       ILE  99   9.643   3.533   3.008
  763   1HG1  ILE  99          1HG1      ILE  99   7.288   2.346   1.523
  764   2HG1  ILE  99          2HG1      ILE  99   8.208   1.518   2.774
  765   1HG2  ILE  99          1HG2      ILE  99   8.194   4.531   0.558
  766   2HG2  ILE  99          2HG2      ILE  99   9.517   5.327   1.407
  767   3HG2  ILE  99          3HG2      ILE  99   7.947   5.154   2.189
  768   1HD1  ILE  99          1HD1      ILE  99   7.343   2.822   4.456
  769   2HD1  ILE  99          2HD1      ILE  99   5.970   2.692   3.357
  770   3HD1  ILE  99          3HD1      ILE  99   6.956   4.153   3.369
  771    H    ALA 100           H        ALA 100  12.419   2.149   1.845
  772    HA   ALA 100           HA       ALA 100  13.433   4.782   1.143
  773   1HB   ALA 100          1HB       ALA 100  15.584   3.717   2.157
  774   2HB   ALA 100          2HB       ALA 100  14.465   2.495   2.761
  775   3HB   ALA 100          3HB       ALA 100  14.251   4.186   3.212
  776    H    ALA 101           H        ALA 101  14.928   1.580   0.790
  777    HA   ALA 101           HA       ALA 101  16.663   2.133  -1.237
  778   1HB   ALA 101          1HB       ALA 101  16.999   0.032  -0.436
  779   2HB   ALA 101          2HB       ALA 101  16.117  -0.378  -1.907
  780   3HB   ALA 101          3HB       ALA 101  15.276  -0.336  -0.358
  781    H    ASN 102           H        ASN 102  13.208   1.660  -1.498
  782    HA   ASN 102           HA       ASN 102  13.318   1.547  -4.391
  783   1HB   ASN 102          1HB       ASN 102  11.098   1.366  -2.363
  784   2HB   ASN 102          2HB       ASN 102  10.792   1.457  -4.098
  785   1HD2  ASN 102          1HD2      ASN 102  11.046  -0.609  -1.610
  786   2HD2  ASN 102          2HD2      ASN 102  11.532  -2.042  -2.445
  787    H    ALA 103           H        ALA 103  12.185   3.726  -1.837
  788    HA   ALA 103           HA       ALA 103  11.691   5.788  -3.873
  789   1HB   ALA 103          1HB       ALA 103  10.170   4.981  -1.682
  790   2HB   ALA 103          2HB       ALA 103   9.909   6.401  -2.694
  791   3HB   ALA 103          3HB       ALA 103  10.858   6.535  -1.214
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1   0.814  11.549   3.143
    2   2H    MET   1          2H        MET   1   0.608  12.224   4.706
    3   3H    MET   1          3H        MET   1   0.392  13.203   3.312
    4    HA   MET   1           HA       MET   1  -1.605  12.237   4.594
    5   1HB   MET   1          1HB       MET   1  -2.881  12.399   2.545
    6   2HB   MET   1          2HB       MET   1  -1.620  13.621   2.532
    7   1HG   MET   1          1HG       MET   1  -1.404  10.973   1.123
    8   2HG   MET   1          2HG       MET   1  -1.988  12.450   0.362
    9   1HE   MET   1          1HE       MET   1   1.117  12.447  -1.508
   10   2HE   MET   1          2HE       MET   1  -0.400  11.573  -1.297
   11   3HE   MET   1          3HE       MET   1   1.116  10.848  -0.762
   12    H    VAL   2           H        VAL   2  -3.308  10.585   3.443
   13    HA   VAL   2           HA       VAL   2  -2.229   8.077   2.641
   14    HB   VAL   2           HB       VAL   2  -1.635   8.033   5.054
   15   1HG1  VAL   2          1HG1      VAL   2  -3.392   9.329   6.018
   16   2HG1  VAL   2          2HG1      VAL   2  -3.496   7.700   6.685
   17   3HG1  VAL   2          3HG1      VAL   2  -4.618   8.209   5.426
   18   1HG2  VAL   2          1HG2      VAL   2  -3.768   5.982   4.709
   19   2HG2  VAL   2          2HG2      VAL   2  -2.116   5.807   5.303
   20   3HG2  VAL   2          3HG2      VAL   2  -2.416   6.010   3.577
   21    H    THR   3           H        THR   3  -3.773   6.961   1.570
   22    HA   THR   3           HA       THR   3  -6.569   7.265   2.298
   23    HB   THR   3           HB       THR   3  -5.548   8.037  -0.441
   24    HG1  THR   3           HG1      THR   3  -6.695   9.532   1.671
   25   1HG2  THR   3          1HG2      THR   3  -8.309   7.610   0.600
   26   2HG2  THR   3          2HG2      THR   3  -7.604   7.138  -0.945
   27   3HG2  THR   3          3HG2      THR   3  -8.002   8.828  -0.638
   28    H    GLN   4           H        GLN   4  -7.967   5.747   1.244
   29    HA   GLN   4           HA       GLN   4  -6.548   3.301   0.460
   30   1HB   GLN   4          1HB       GLN   4  -8.942   2.331   0.797
   31   2HB   GLN   4          2HB       GLN   4  -7.963   2.732   2.200
   32   1HG   GLN   4          1HG       GLN   4 -10.322   3.431   2.395
   33   2HG   GLN   4          2HG       GLN   4  -9.174   4.758   2.551
   34   1HE2  GLN   4          1HE2      GLN   4 -12.026   3.864   1.214
   35   2HE2  GLN   4          2HE2      GLN   4 -12.108   4.992  -0.092
   36    H    PHE   5           H        PHE   5  -8.362   1.916  -0.977
   37    HA   PHE   5           HA       PHE   5  -9.196   3.664  -3.176
   38   1HB   PHE   5          1HB       PHE   5  -7.484   1.191  -3.468
   39   2HB   PHE   5          2HB       PHE   5  -8.299   1.998  -4.815
   40    HD1  PHE   5           HD1      PHE   5  -7.848   4.839  -4.008
   41    HD2  PHE   5           HD2      PHE   5  -5.241   1.469  -4.020
   42    HE1  PHE   5           HE1      PHE   5  -5.921   6.339  -4.327
   43    HE2  PHE   5           HE2      PHE   5  -3.315   2.969  -4.339
   44    HZ   PHE   5           HZ       PHE   5  -3.651   5.399  -4.495
   45    H    LYS   6           H        LYS   6 -11.351   3.380  -3.014
   46    HA   LYS   6           HA       LYS   6 -12.481   0.743  -2.599
   47   1HB   LYS   6          1HB       LYS   6 -13.674   3.487  -2.958
   48   2HB   LYS   6          2HB       LYS   6 -14.673   2.040  -2.949
   49   1HG   LYS   6          1HG       LYS   6 -12.851   2.906  -0.712
   50   2HG   LYS   6          2HG       LYS   6 -14.601   3.142  -0.763
   51   1HD   LYS   6          1HD       LYS   6 -14.887   0.687  -0.920
   52   2HD   LYS   6          2HD       LYS   6 -13.141   0.501  -0.755
   53   1HE   LYS   6          1HE       LYS   6 -14.978   1.776   1.270
   54   2HE   LYS   6          2HE       LYS   6 -14.300   0.152   1.376
   55   1HZ   LYS   6          1HZ       LYS   6 -12.517   1.008   2.335
   56   2HZ   LYS   6          2HZ       LYS   6 -13.154   2.569   2.207
   57   3HZ   LYS   6          3HZ       LYS   6 -12.196   1.944   0.963
   58    H    THR   7           H        THR   7 -11.597   2.761  -5.226
   59    HA   THR   7           HA       THR   7 -12.815   0.851  -7.093
   60    HB   THR   7           HB       THR   7 -13.294   2.706  -8.654
   61    HG1  THR   7           HG1      THR   7 -11.956   4.317  -8.060
   62   1HG2  THR   7          1HG2      THR   7 -14.682   3.684  -6.256
   63   2HG2  THR   7          2HG2      THR   7 -14.871   1.967  -6.613
   64   3HG2  THR   7          3HG2      THR   7 -15.322   3.173  -7.818
   65    H    ALA   8           H        ALA   8 -11.312  -0.048  -8.347
   66    HA   ALA   8           HA       ALA   8  -8.613   0.551  -8.226
   67   1HB   ALA   8          1HB       ALA   8  -8.533  -0.739 -10.472
   68   2HB   ALA   8          2HB       ALA   8 -10.258  -0.980 -10.200
   69   3HB   ALA   8          3HB       ALA   8  -9.088  -1.574  -9.022
   70    H    SER   9           H        SER   9 -11.078   2.003 -10.163
   71    HA   SER   9           HA       SER   9  -9.592   3.116 -12.237
   72   1HB   SER   9          1HB       SER   9 -12.086   3.227 -11.998
   73   2HB   SER   9          2HB       SER   9 -11.862   4.448 -10.741
   74    HG   SER   9           HG       SER   9 -11.368   4.624 -13.504
   75    H    GLU  10           H        GLU  10  -9.643   3.833  -8.866
   76    HA   GLU  10           HA       GLU  10  -8.394   6.410  -9.196
   77   1HB   GLU  10          1HB       GLU  10 -10.128   6.097  -7.489
   78   2HB   GLU  10          2HB       GLU  10  -9.122   4.892  -6.697
   79   1HG   GLU  10          1HG       GLU  10  -9.023   7.036  -5.569
   80   2HG   GLU  10          2HG       GLU  10  -7.451   6.570  -6.215
   81    H    PHE  11           H        PHE  11  -7.579   3.185  -8.182
   82    HA   PHE  11           HA       PHE  11  -4.982   3.838  -7.205
   83   1HB   PHE  11          1HB       PHE  11  -6.381   1.821  -6.543
   84   2HB   PHE  11          2HB       PHE  11  -5.934   1.115  -8.091
   85    HD1  PHE  11           HD1      PHE  11  -5.232  -0.626  -6.194
   86    HD2  PHE  11           HD2      PHE  11  -3.201   3.017  -7.055
   87    HE1  PHE  11           HE1      PHE  11  -3.182  -1.522  -5.167
   88    HE2  PHE  11           HE2      PHE  11  -1.154   2.121  -6.039
   89    HZ   PHE  11           HZ       PHE  11  -1.146  -0.147  -5.090
   90    H    ASP  12           H        ASP  12  -6.324   3.130 -10.310
   91    HA   ASP  12           HA       ASP  12  -4.089   2.142 -11.659
   92   1HB   ASP  12          1HB       ASP  12  -6.352   2.152 -12.618
   93   2HB   ASP  12          2HB       ASP  12  -6.300   3.909 -12.731
   94    H    SER  13           H        SER  13  -5.301   5.484 -11.943
   95    HA   SER  13           HA       SER  13  -3.004   6.546 -13.095
   96   1HB   SER  13          1HB       SER  13  -5.149   7.720 -13.110
   97   2HB   SER  13          2HB       SER  13  -5.055   7.944 -11.363
   98    HG   SER  13           HG       SER  13  -3.900   9.382 -13.357
   99    H    ALA  14           H        ALA  14  -3.641   5.742  -9.795
  100    HA   ALA  14           HA       ALA  14  -1.980   7.443  -8.394
  101   1HB   ALA  14          1HB       ALA  14  -2.157   5.986  -6.632
  102   2HB   ALA  14          2HB       ALA  14  -2.022   4.557  -7.656
  103   3HB   ALA  14          3HB       ALA  14  -3.526   5.478  -7.619
  104    H    ILE  15           H        ILE  15  -1.040   4.161  -9.436
  105    HA   ILE  15           HA       ILE  15   1.697   4.488  -8.925
  106    HB   ILE  15           HB       ILE  15   2.040   2.492 -10.311
  107   1HG1  ILE  15          1HG1      ILE  15  -0.907   2.806 -10.935
  108   2HG1  ILE  15          2HG1      ILE  15   0.421   2.920 -12.084
  109   1HG2  ILE  15          1HG2      ILE  15   0.733   0.975  -8.945
  110   2HG2  ILE  15          2HG2      ILE  15  -0.362   2.284  -8.499
  111   3HG2  ILE  15          3HG2      ILE  15   1.320   2.321  -7.968
  112   1HD1  ILE  15          1HD1      ILE  15  -0.104   0.424 -10.511
  113   2HD1  ILE  15          2HD1      ILE  15   0.856   0.624 -11.978
  114   3HD1  ILE  15          3HD1      ILE  15  -0.901   0.760 -12.048
  115    H    ALA  16           H        ALA  16  -0.109   4.804 -11.968
  116    HA   ALA  16           HA       ALA  16   1.809   5.166 -13.819
  117   1HB   ALA  16          1HB       ALA  16  -0.659   5.351 -14.164
  118   2HB   ALA  16          2HB       ALA  16   0.304   6.513 -15.076
  119   3HB   ALA  16          3HB       ALA  16  -0.548   7.023 -13.618
  120    H    GLN  17           H        GLN  17   3.733   6.084 -13.271
  121    HA   GLN  17           HA       GLN  17   5.259   7.664 -12.627
  122   1HB   GLN  17          1HB       GLN  17   3.371   9.277 -14.341
  123   2HB   GLN  17          2HB       GLN  17   4.960   9.835 -13.837
  124   1HG   GLN  17          1HG       GLN  17   5.992   7.950 -15.001
  125   2HG   GLN  17          2HG       GLN  17   4.391   7.401 -15.516
  126   1HE2  GLN  17          1HE2      GLN  17   4.028   7.857 -17.549
  127   2HE2  GLN  17          2HE2      GLN  17   4.520   9.283 -18.388
  128    H    ASP  18           H        ASP  18   4.914   7.741 -10.389
  129    HA   ASP  18           HA       ASP  18   4.143  10.291  -9.425
  130   1HB   ASP  18          1HB       ASP  18   1.906   9.261  -9.747
  131   2HB   ASP  18          2HB       ASP  18   2.362   7.982  -8.626
  132    H    LYS  19           H        LYS  19   6.475   8.699  -9.249
  133    HA   LYS  19           HA       LYS  19   8.094   8.242  -7.698
  134   1HB   LYS  19          1HB       LYS  19   6.003   9.345  -5.836
  135   2HB   LYS  19          2HB       LYS  19   7.634   8.952  -5.331
  136   1HG   LYS  19          1HG       LYS  19   8.568  10.702  -6.468
  137   2HG   LYS  19          2HG       LYS  19   7.240  10.801  -7.628
  138   1HD   LYS  19          1HD       LYS  19   7.130  11.623  -4.725
  139   2HD   LYS  19          2HD       LYS  19   7.242  12.712  -6.104
  140   1HE   LYS  19          1HE       LYS  19   5.082  11.852  -6.925
  141   2HE   LYS  19          2HE       LYS  19   4.963  10.833  -5.491
  142   1HZ   LYS  19          1HZ       LYS  19   4.710  13.747  -5.723
  143   2HZ   LYS  19          2HZ       LYS  19   5.282  13.093  -4.272
  144   3HZ   LYS  19          3HZ       LYS  19   3.759  12.650  -4.856
  145    H    LEU  20           H        LEU  20   7.684   7.213  -5.041
  146    HA   LEU  20           HA       LEU  20   6.908   4.497  -5.775
  147   1HB   LEU  20          1HB       LEU  20   9.121   4.820  -4.790
  148   2HB   LEU  20          2HB       LEU  20   8.391   5.578  -3.374
  149    HG   LEU  20           HG       LEU  20   7.209   3.374  -2.960
  150   1HD1  LEU  20          1HD1      LEU  20   8.275   1.387  -3.959
  151   2HD1  LEU  20          2HD1      LEU  20   9.192   2.446  -5.028
  152   3HD1  LEU  20          3HD1      LEU  20   7.433   2.383  -5.146
  153   1HD2  LEU  20          1HD2      LEU  20   9.042   4.000  -1.574
  154   2HD2  LEU  20          2HD2      LEU  20  10.211   3.579  -2.825
  155   3HD2  LEU  20          3HD2      LEU  20   9.279   2.312  -2.026
  156    H    VAL  21           H        VAL  21   4.882   3.970  -5.385
  157    HA   VAL  21           HA       VAL  21   3.470   5.174  -3.119
  158    HB   VAL  21           HB       VAL  21   2.345   3.587  -5.430
  159   1HG1  VAL  21          1HG1      VAL  21   0.189   4.593  -4.681
  160   2HG1  VAL  21          2HG1      VAL  21   1.022   5.178  -3.241
  161   3HG1  VAL  21          3HG1      VAL  21   0.887   3.445  -3.539
  162   1HG2  VAL  21          1HG2      VAL  21   2.833   5.446  -6.591
  163   2HG2  VAL  21          2HG2      VAL  21   3.059   6.419  -5.139
  164   3HG2  VAL  21          3HG2      VAL  21   1.434   6.123  -5.757
  165    H    VAL  22           H        VAL  22   3.093   4.040  -1.339
  166    HA   VAL  22           HA       VAL  22   3.467   1.125  -1.411
  167    HB   VAL  22           HB       VAL  22   3.430   2.964   0.989
  168   1HG1  VAL  22          1HG1      VAL  22   2.731   0.597   1.382
  169   2HG1  VAL  22          2HG1      VAL  22   4.175   1.089   2.267
  170   3HG1  VAL  22          3HG1      VAL  22   4.325   0.092   0.820
  171   1HG2  VAL  22          1HG2      VAL  22   5.919   1.593   0.217
  172   2HG2  VAL  22          2HG2      VAL  22   5.665   3.222   0.845
  173   3HG2  VAL  22          3HG2      VAL  22   5.395   2.884  -0.864
  174    H    VAL  23           H        VAL  23   1.495   0.320  -1.976
  175    HA   VAL  23           HA       VAL  23  -0.847   1.247  -0.466
  176    HB   VAL  23           HB       VAL  23  -0.803  -0.412  -2.987
  177   1HG1  VAL  23          1HG1      VAL  23  -3.048   1.036  -1.586
  178   2HG1  VAL  23          2HG1      VAL  23  -2.823  -0.711  -1.663
  179   3HG1  VAL  23          3HG1      VAL  23  -3.174   0.199  -3.132
  180   1HG2  VAL  23          1HG2      VAL  23  -0.526   2.461  -2.547
  181   2HG2  VAL  23          2HG2      VAL  23  -1.832   2.037  -3.651
  182   3HG2  VAL  23          3HG2      VAL  23  -0.188   1.495  -3.982
  183    H    ASP  24           H        ASP  24  -1.878  -0.030   0.916
  184    HA   ASP  24           HA       ASP  24  -0.898  -2.766   1.261
  185   1HB   ASP  24          1HB       ASP  24  -0.775  -1.342   3.239
  186   2HB   ASP  24          2HB       ASP  24  -2.502  -0.979   3.109
  187    H    PHE  25           H        PHE  25  -2.182  -4.512   0.899
  188    HA   PHE  25           HA       PHE  25  -4.894  -4.020  -0.057
  189   1HB   PHE  25          1HB       PHE  25  -2.925  -6.281  -0.359
  190   2HB   PHE  25          2HB       PHE  25  -4.623  -6.477  -0.788
  191    HD1  PHE  25           HD1      PHE  25  -2.091  -3.776  -1.374
  192    HD2  PHE  25           HD2      PHE  25  -4.923  -6.488  -3.016
  193    HE1  PHE  25           HE1      PHE  25  -1.589  -2.920  -3.629
  194    HE2  PHE  25           HE2      PHE  25  -4.446  -5.628  -5.264
  195    HZ   PHE  25           HZ       PHE  25  -2.783  -3.839  -5.579
  196    H    TYR  26           H        TYR  26  -4.764  -3.723   2.619
  197    HA   TYR  26           HA       TYR  26  -4.973  -5.900   4.285
  198   1HB   TYR  26          1HB       TYR  26  -6.578  -4.427   5.626
  199   2HB   TYR  26          2HB       TYR  26  -4.969  -3.788   5.316
  200    HD1  TYR  26           HD1      TYR  26  -8.246  -3.817   3.490
  201    HD2  TYR  26           HD2      TYR  26  -4.949  -1.527   4.901
  202    HE1  TYR  26           HE1      TYR  26  -9.241  -1.801   2.515
  203    HE2  TYR  26           HE2      TYR  26  -5.950   0.503   3.948
  204    HH   TYR  26           HH       TYR  26  -8.529   1.179   3.337
  205    H    ALA  27           H        ALA  27  -6.631  -7.228   5.011
  206    HA   ALA  27           HA       ALA  27  -8.473  -8.116   3.096
  207   1HB   ALA  27          1HB       ALA  27  -8.025  -8.654   5.983
  208   2HB   ALA  27          2HB       ALA  27  -8.050  -9.766   4.612
  209   3HB   ALA  27          3HB       ALA  27  -9.562  -9.152   5.279
  210    H    THR  28           H        THR  28 -10.863  -8.219   3.424
  211    HA   THR  28           HA       THR  28 -11.827  -5.546   4.086
  212    HB   THR  28           HB       THR  28 -12.464  -6.250   1.906
  213    HG1  THR  28           HG1      THR  28 -14.169  -5.450   3.544
  214   1HG2  THR  28          1HG2      THR  28 -13.806  -8.242   1.463
  215   2HG2  THR  28          2HG2      THR  28 -13.615  -8.736   3.146
  216   3HG2  THR  28          3HG2      THR  28 -12.208  -8.649   2.087
  217    H    TRP  29           H        TRP  29 -11.205  -7.748   6.057
  218    HA   TRP  29           HA       TRP  29 -13.674  -7.532   7.575
  219   1HB   TRP  29          1HB       TRP  29 -13.416 -10.047   8.115
  220   2HB   TRP  29          2HB       TRP  29 -14.125  -9.581   6.562
  221    HD1  TRP  29           HD1      TRP  29 -12.611  -9.913   4.364
  222    HE1  TRP  29           HE1      TRP  29 -10.617 -11.466   3.892
  223    HE3  TRP  29           HE3      TRP  29 -11.387 -11.136   9.171
  224    HZ2  TRP  29           HZ2      TRP  29  -8.763 -12.992   5.357
  225    HZ3  TRP  29           HZ3      TRP  29  -9.482 -12.641   9.553
  226    HH2  TRP  29           HH2      TRP  29  -8.199 -13.556   7.685
  227    H    CYS  30           H        CYS  30 -10.333  -8.784   7.533
  228    HA   CYS  30           HA       CYS  30  -9.862  -9.285  10.156
  229   1HB   CYS  30          1HB       CYS  30  -8.168  -9.487   8.335
  230   2HB   CYS  30          2HB       CYS  30  -7.942  -7.737   8.403
  231    HG   CYS  30           HG       CYS  30  -6.209  -9.272   9.886
  232    H    GLY  31           H        GLY  31  -8.924  -8.071  11.916
  233   1HA   GLY  31          1HA       GLY  31 -10.145  -5.429  12.134
  234   2HA   GLY  31          2HA       GLY  31  -9.522  -6.394  13.459
  235    HA   PRO  32           HA       PRO  32  -5.668  -4.314  13.809
  236   1HB   PRO  32          1HB       PRO  32  -3.840  -6.195  12.741
  237   2HB   PRO  32          2HB       PRO  32  -4.275  -5.976  14.438
  238   1HG   PRO  32          1HG       PRO  32  -5.292  -7.946  12.459
  239   2HG   PRO  32          2HG       PRO  32  -5.081  -8.113  14.211
  240   1HD   PRO  32          1HD       PRO  32  -7.509  -7.812  13.133
  241   2HD   PRO  32          2HD       PRO  32  -7.092  -7.043  14.679
  242    H    CYS  33           H        CYS  33  -6.357  -5.793  10.707
  243    HA   CYS  33           HA       CYS  33  -4.376  -4.524   9.179
  244   1HB   CYS  33          1HB       CYS  33  -7.119  -5.538   8.434
  245   2HB   CYS  33          2HB       CYS  33  -5.967  -4.901   7.255
  246    HG   CYS  33           HG       CYS  33  -4.485  -6.928   7.592
  247    H    LYS  34           H        LYS  34  -7.840  -3.631   9.353
  248    HA   LYS  34           HA       LYS  34  -7.611  -1.210   8.019
  249   1HB   LYS  34          1HB       LYS  34  -9.750  -0.589   9.075
  250   2HB   LYS  34          2HB       LYS  34  -9.770  -2.226   8.436
  251   1HG   LYS  34          1HG       LYS  34  -9.463  -3.129  10.661
  252   2HG   LYS  34          2HG       LYS  34  -9.360  -1.499  11.328
  253   1HD   LYS  34          1HD       LYS  34 -11.651  -1.057  10.575
  254   2HD   LYS  34          2HD       LYS  34 -11.749  -2.693   9.921
  255   1HE   LYS  34          1HE       LYS  34 -11.417  -3.607  12.168
  256   2HE   LYS  34          2HE       LYS  34 -11.318  -1.972  12.819
  257   1HZ   LYS  34          1HZ       LYS  34 -13.618  -1.661  11.830
  258   2HZ   LYS  34          2HZ       LYS  34 -13.505  -2.649  13.197
  259   3HZ   LYS  34          3HZ       LYS  34 -13.669  -3.344  11.665
  260    H    MET  35           H        MET  35  -6.650  -1.999  11.233
  261    HA   MET  35           HA       MET  35  -6.670   0.695  12.237
  262   1HB   MET  35          1HB       MET  35  -6.847  -1.264  13.729
  263   2HB   MET  35          2HB       MET  35  -5.228  -1.760  13.260
  264   1HG   MET  35          1HG       MET  35  -5.271  -0.653  15.439
  265   2HG   MET  35          2HG       MET  35  -4.285   0.219  14.269
  266   1HE   MET  35          1HE       MET  35  -8.381   1.430  15.905
  267   2HE   MET  35          2HE       MET  35  -7.689  -0.190  15.826
  268   3HE   MET  35          3HE       MET  35  -8.406   0.533  14.386
  269    H    ILE  36           H        ILE  36  -4.903  -0.654   9.875
  270    HA   ILE  36           HA       ILE  36  -2.298   0.392  10.566
  271    HB   ILE  36           HB       ILE  36  -3.350  -0.935   8.070
  272   1HG1  ILE  36          1HG1      ILE  36  -1.538  -1.917  10.284
  273   2HG1  ILE  36          2HG1      ILE  36  -3.207  -2.410  10.013
  274   1HG2  ILE  36          1HG2      ILE  36  -0.880   0.517   8.552
  275   2HG2  ILE  36          2HG2      ILE  36  -1.606  -0.026   7.037
  276   3HG2  ILE  36          3HG2      ILE  36  -0.615  -1.133   7.989
  277   1HD1  ILE  36          1HD1      ILE  36  -2.661  -3.629   8.113
  278   2HD1  ILE  36          2HD1      ILE  36  -1.337  -3.961   9.231
  279   3HD1  ILE  36          3HD1      ILE  36  -1.113  -2.807   7.916
  280    H    ALA  37           H        ALA  37  -5.137   1.523   9.020
  281    HA   ALA  37           HA       ALA  37  -4.235   3.264   7.089
  282   1HB   ALA  37          1HB       ALA  37  -6.609   2.803   7.605
  283   2HB   ALA  37          2HB       ALA  37  -6.261   4.523   7.426
  284   3HB   ALA  37          3HB       ALA  37  -6.469   3.829   9.033
  285    HA   PRO  38           HA       PRO  38  -3.431   6.621  10.446
  286   1HB   PRO  38          1HB       PRO  38  -3.009   5.793  12.997
  287   2HB   PRO  38          2HB       PRO  38  -4.610   6.236  12.381
  288   1HG   PRO  38          1HG       PRO  38  -3.425   3.538  12.826
  289   2HG   PRO  38          2HG       PRO  38  -5.091   4.089  13.068
  290   1HD   PRO  38          1HD       PRO  38  -4.228   2.644  10.900
  291   2HD   PRO  38          2HD       PRO  38  -5.657   3.682  10.892
  292    H    MET  39           H        MET  39  -1.945   3.455  10.969
  293    HA   MET  39           HA       MET  39   0.628   4.423  11.669
  294   1HB   MET  39          1HB       MET  39  -0.060   2.109  12.110
  295   2HB   MET  39          2HB       MET  39  -0.180   1.796  10.391
  296   1HG   MET  39          1HG       MET  39   2.198   2.167  10.179
  297   2HG   MET  39          2HG       MET  39   2.323   2.490  11.899
  298   1HE   MET  39          1HE       MET  39   1.150  -1.605  10.122
  299   2HE   MET  39          2HE       MET  39   1.492  -0.171   9.154
  300   3HE   MET  39          3HE       MET  39   0.048  -0.229  10.164
  301    H    ILE  40           H        ILE  40  -0.745   3.218   8.626
  302    HA   ILE  40           HA       ILE  40   1.371   3.561   6.907
  303    HB   ILE  40           HB       ILE  40  -1.580   4.032   6.433
  304   1HG1  ILE  40          1HG1      ILE  40   0.222   1.700   5.760
  305   2HG1  ILE  40          2HG1      ILE  40  -0.930   1.762   7.085
  306   1HG2  ILE  40          1HG2      ILE  40  -1.105   3.825   4.034
  307   2HG2  ILE  40          2HG2      ILE  40   0.623   3.789   4.380
  308   3HG2  ILE  40          3HG2      ILE  40  -0.316   5.239   4.731
  309   1HD1  ILE  40          1HD1      ILE  40  -2.687   1.347   5.748
  310   2HD1  ILE  40          2HD1      ILE  40  -1.452   0.697   4.667
  311   3HD1  ILE  40          3HD1      ILE  40  -2.049   2.341   4.440
  312    H    GLU  41           H        GLU  41  -0.662   5.968   8.379
  313    HA   GLU  41           HA       GLU  41   0.143   8.135   6.684
  314   1HB   GLU  41          1HB       GLU  41  -2.014   8.176   7.801
  315   2HB   GLU  41          2HB       GLU  41  -1.238   8.080   9.374
  316   1HG   GLU  41          1HG       GLU  41  -0.224  10.273   9.004
  317   2HG   GLU  41          2HG       GLU  41  -1.002  10.365   7.425
  318    H    LYS  42           H        LYS  42   1.170   6.798   9.755
  319    HA   LYS  42           HA       LYS  42   2.798   8.928  10.604
  320   1HB   LYS  42          1HB       LYS  42   2.949   5.969  11.201
  321   2HB   LYS  42          2HB       LYS  42   3.898   7.193  12.035
  322   1HG   LYS  42          1HG       LYS  42   1.845   8.237  12.832
  323   2HG   LYS  42          2HG       LYS  42   0.899   7.005  11.991
  324   1HD   LYS  42          1HD       LYS  42   1.946   5.267  13.352
  325   2HD   LYS  42          2HD       LYS  42   2.902   6.493  14.188
  326   1HE   LYS  42          1HE       LYS  42   0.853   7.534  15.001
  327   2HE   LYS  42          2HE       LYS  42  -0.102   6.315  14.163
  328   1HZ   LYS  42          1HZ       LYS  42   0.765   6.155  16.729
  329   2HZ   LYS  42          2HZ       LYS  42   1.883   5.189  15.904
  330   3HZ   LYS  42          3HZ       LYS  42   0.228   4.851  15.792
  331    H    PHE  43           H        PHE  43   3.284   6.506   8.185
  332    HA   PHE  43           HA       PHE  43   6.162   6.898   8.150
  333   1HB   PHE  43          1HB       PHE  43   4.354   5.152   6.479
  334   2HB   PHE  43          2HB       PHE  43   6.102   5.239   6.275
  335    HD1  PHE  43           HD1      PHE  43   3.678   4.802   9.082
  336    HD2  PHE  43           HD2      PHE  43   7.290   3.535   7.223
  337    HE1  PHE  43           HE1      PHE  43   3.961   3.080  10.817
  338    HE2  PHE  43           HE2      PHE  43   7.578   1.807   8.952
  339    HZ   PHE  43           HZ       PHE  43   5.912   1.578  10.752
  340    H    SER  44           H        SER  44   3.373   8.098   6.531
  341    HA   SER  44           HA       SER  44   4.608   8.882   4.107
  342   1HB   SER  44          1HB       SER  44   2.645  10.358   3.817
  343   2HB   SER  44          2HB       SER  44   2.176   8.721   4.308
  344    HG   SER  44           HG       SER  44   1.583   9.451   6.237
  345    H    GLU  45           H        GLU  45   5.098  10.013   7.230
  346    HA   GLU  45           HA       GLU  45   5.643  12.758   6.455
  347   1HB   GLU  45          1HB       GLU  45   6.019  11.346   9.102
  348   2HB   GLU  45          2HB       GLU  45   6.233  13.069   8.831
  349   1HG   GLU  45          1HG       GLU  45   3.875  13.271   8.231
  350   2HG   GLU  45          2HG       GLU  45   3.660  11.542   8.502
  351    H    GLN  46           H        GLN  46   7.351   9.778   6.953
  352    HA   GLN  46           HA       GLN  46   9.940  11.099   7.044
  353   1HB   GLN  46          1HB       GLN  46   9.198   8.174   7.108
  354   2HB   GLN  46          2HB       GLN  46  10.835   8.800   7.271
  355   1HG   GLN  46          1HG       GLN  46  10.179   9.999   9.285
  356   2HG   GLN  46          2HG       GLN  46   8.539   9.379   9.123
  357   1HE2  GLN  46          1HE2      GLN  46   8.116   7.760  10.422
  358   2HE2  GLN  46          2HE2      GLN  46   9.247   6.546  10.957
  359    H    TYR  47           H        TYR  47   7.936   9.358   4.763
  360    HA   TYR  47           HA       TYR  47  10.059   9.724   2.745
  361   1HB   TYR  47          1HB       TYR  47   8.012   7.506   2.897
  362   2HB   TYR  47          2HB       TYR  47   9.177   7.728   1.596
  363    HD1  TYR  47           HD1      TYR  47  11.685   7.738   2.292
  364    HD2  TYR  47           HD2      TYR  47   8.555   6.187   4.713
  365    HE1  TYR  47           HE1      TYR  47  13.327   6.397   3.541
  366    HE2  TYR  47           HE2      TYR  47  10.185   4.830   5.966
  367    HH   TYR  47           HH       TYR  47  12.605   4.867   6.470
  368    HA   PRO  48           HA       PRO  48   5.864  12.123   2.043
  369   1HB   PRO  48          1HB       PRO  48   8.097  13.968   1.306
  370   2HB   PRO  48          2HB       PRO  48   6.512  14.347   1.990
  371   1HG   PRO  48          1HG       PRO  48   8.727  14.251   3.512
  372   2HG   PRO  48          2HG       PRO  48   7.140  13.761   4.124
  373   1HD   PRO  48          1HD       PRO  48   9.491  12.107   3.509
  374   2HD   PRO  48          2HD       PRO  48   8.064  11.723   4.497
  375    H    GLN  49           H        GLN  49   8.826  11.600   0.227
  376    HA   GLN  49           HA       GLN  49   7.789  12.318  -2.308
  377   1HB   GLN  49          1HB       GLN  49  10.083  10.466  -1.645
  378   2HB   GLN  49          2HB       GLN  49   9.736  11.117  -3.243
  379   1HG   GLN  49          1HG       GLN  49  10.416  12.753  -0.809
  380   2HG   GLN  49          2HG       GLN  49  11.546  12.308  -2.082
  381   1HE2  GLN  49          1HE2      GLN  49   8.874  12.738  -3.812
  382   2HE2  GLN  49          2HE2      GLN  49   8.964  14.428  -4.137
  383    H    ALA  50           H        ALA  50   7.282   9.579  -0.358
  384    HA   ALA  50           HA       ALA  50   6.371   7.987  -2.649
  385   1HB   ALA  50          1HB       ALA  50   7.372   6.317  -1.576
  386   2HB   ALA  50          2HB       ALA  50   6.138   6.447  -0.323
  387   3HB   ALA  50          3HB       ALA  50   7.657   7.328  -0.158
  388    H    ASP  51           H        ASP  51   4.256   7.371  -2.854
  389    HA   ASP  51           HA       ASP  51   2.352   8.829  -1.209
  390   1HB   ASP  51          1HB       ASP  51   1.909   7.119  -3.665
  391   2HB   ASP  51          2HB       ASP  51   0.680   8.089  -2.859
  392    H    PHE  52           H        PHE  52   1.412   7.953   0.484
  393    HA   PHE  52           HA       PHE  52   1.508   5.051   0.806
  394   1HB   PHE  52          1HB       PHE  52   0.980   7.277   2.781
  395   2HB   PHE  52          2HB       PHE  52   0.901   5.556   3.184
  396    HD1  PHE  52           HD1      PHE  52   3.255   7.894   1.462
  397    HD2  PHE  52           HD2      PHE  52   2.743   4.677   4.199
  398    HE1  PHE  52           HE1      PHE  52   5.678   7.874   1.886
  399    HE2  PHE  52           HE2      PHE  52   5.164   4.652   4.628
  400    HZ   PHE  52           HZ       PHE  52   6.634   6.252   3.473
  401    H    TYR  53           H        TYR  53  -0.186   4.573  -0.638
  402    HA   TYR  53           HA       TYR  53  -2.866   5.436   0.174
  403   1HB   TYR  53          1HB       TYR  53  -1.765   4.194  -2.336
  404   2HB   TYR  53          2HB       TYR  53  -3.493   4.199  -2.009
  405    HD1  TYR  53           HD1      TYR  53  -4.494   6.559  -1.399
  406    HD2  TYR  53           HD2      TYR  53  -0.858   5.962  -3.522
  407    HE1  TYR  53           HE1      TYR  53  -4.681   8.820  -2.340
  408    HE2  TYR  53           HE2      TYR  53  -1.030   8.226  -4.467
  409    HH   TYR  53           HH       TYR  53  -2.425  10.533  -3.475
  410    H    LYS  54           H        LYS  54  -4.472   3.422  -0.532
  411    HA   LYS  54           HA       LYS  54  -3.457   0.933   0.556
  412   1HB   LYS  54          1HB       LYS  54  -5.825   2.289   1.851
  413   2HB   LYS  54          2HB       LYS  54  -5.079   0.771   2.325
  414   1HG   LYS  54          1HG       LYS  54  -3.010   1.990   2.874
  415   2HG   LYS  54          2HG       LYS  54  -3.831   3.502   2.488
  416   1HD   LYS  54          1HD       LYS  54  -4.583   1.550   4.665
  417   2HD   LYS  54          2HD       LYS  54  -3.845   3.136   4.884
  418   1HE   LYS  54          1HE       LYS  54  -6.560   2.625   3.673
  419   2HE   LYS  54          2HE       LYS  54  -6.264   3.160   5.327
  420   1HZ   LYS  54          1HZ       LYS  54  -6.003   5.249   4.658
  421   2HZ   LYS  54          2HZ       LYS  54  -6.642   4.773   3.166
  422   3HZ   LYS  54          3HZ       LYS  54  -4.967   4.821   3.391
  423    H    LEU  55           H        LEU  55  -4.569  -0.850  -0.119
  424    HA   LEU  55           HA       LEU  55  -6.623  -0.356  -2.146
  425   1HB   LEU  55          1HB       LEU  55  -4.505  -1.630  -2.684
  426   2HB   LEU  55          2HB       LEU  55  -5.093  -2.901  -1.631
  427    HG   LEU  55           HG       LEU  55  -5.491  -3.363  -4.027
  428   1HD1  LEU  55          1HD1      LEU  55  -7.120  -3.885  -1.940
  429   2HD1  LEU  55          2HD1      LEU  55  -7.389  -4.478  -3.580
  430   3HD1  LEU  55          3HD1      LEU  55  -8.230  -3.035  -3.015
  431   1HD2  LEU  55          1HD2      LEU  55  -6.700  -2.023  -5.410
  432   2HD2  LEU  55          2HD2      LEU  55  -6.025  -0.787  -4.349
  433   3HD2  LEU  55          3HD2      LEU  55  -7.674  -1.359  -4.098
  434    H    ASP  56           H        ASP  56  -8.677  -0.976  -1.886
  435    HA   ASP  56           HA       ASP  56  -9.448  -2.178   0.620
  436   1HB   ASP  56          1HB       ASP  56 -10.966  -0.923  -1.662
  437   2HB   ASP  56          2HB       ASP  56 -11.765  -1.701  -0.305
  438    H    VAL  57           H        VAL  57  -9.540  -4.301   0.816
  439    HA   VAL  57           HA       VAL  57  -9.787  -6.059  -1.448
  440    HB   VAL  57           HB       VAL  57  -9.699  -6.599   1.533
  441   1HG1  VAL  57          1HG1      VAL  57  -9.827  -8.534  -0.782
  442   2HG1  VAL  57          2HG1      VAL  57 -10.901  -8.436   0.612
  443   3HG1  VAL  57          3HG1      VAL  57  -9.237  -8.983   0.820
  444   1HG2  VAL  57          1HG2      VAL  57  -7.640  -7.134  -0.616
  445   2HG2  VAL  57          2HG2      VAL  57  -7.440  -7.314   1.128
  446   3HG2  VAL  57          3HG2      VAL  57  -7.645  -5.711   0.425
  447    H    ASP  58           H        ASP  58 -11.997  -4.261   0.218
  448    HA   ASP  58           HA       ASP  58 -14.129  -6.191   0.383
  449   1HB   ASP  58          1HB       ASP  58 -13.932  -4.283   1.970
  450   2HB   ASP  58          2HB       ASP  58 -14.227  -3.178   0.636
  451    H    GLU  59           H        GLU  59 -13.574  -3.220  -1.506
  452    HA   GLU  59           HA       GLU  59 -15.690  -3.974  -3.349
  453   1HB   GLU  59          1HB       GLU  59 -15.507  -1.640  -2.573
  454   2HB   GLU  59          2HB       GLU  59 -13.912  -1.527  -3.305
  455   1HG   GLU  59          1HG       GLU  59 -15.578  -0.472  -4.708
  456   2HG   GLU  59          2HG       GLU  59 -14.900  -1.887  -5.512
  457    H    LEU  60           H        LEU  60 -12.208  -3.898  -3.208
  458    HA   LEU  60           HA       LEU  60 -12.085  -4.659  -6.047
  459   1HB   LEU  60          1HB       LEU  60  -9.903  -3.621  -4.239
  460   2HB   LEU  60          2HB       LEU  60  -9.682  -4.097  -5.910
  461    HG   LEU  60           HG       LEU  60 -11.268  -2.300  -6.585
  462   1HD1  LEU  60          1HD1      LEU  60 -11.273  -0.538  -4.513
  463   2HD1  LEU  60          2HD1      LEU  60 -11.512  -2.072  -3.679
  464   3HD1  LEU  60          3HD1      LEU  60 -12.623  -1.581  -4.959
  465   1HD2  LEU  60          1HD2      LEU  60  -9.535  -0.908  -6.827
  466   2HD2  LEU  60          2HD2      LEU  60  -8.604  -2.133  -5.967
  467   3HD2  LEU  60          3HD2      LEU  60  -9.288  -0.767  -5.086
  468    H    GLY  61           H        GLY  61 -12.980  -6.683  -4.608
  469   1HA   GLY  61          1HA       GLY  61 -11.042  -8.309  -3.349
  470   2HA   GLY  61          2HA       GLY  61 -12.584  -8.858  -3.987
  471    H    ASP  62           H        ASP  62 -11.539  -7.582  -6.643
  472    HA   ASP  62           HA       ASP  62 -10.475 -10.052  -7.664
  473   1HB   ASP  62          1HB       ASP  62 -11.052  -7.461  -9.036
  474   2HB   ASP  62          2HB       ASP  62 -10.602  -8.947  -9.852
  475    H    VAL  63           H        VAL  63  -9.272  -6.896  -6.820
  476    HA   VAL  63           HA       VAL  63  -6.802  -7.137  -8.237
  477    HB   VAL  63           HB       VAL  63  -7.328  -5.345  -5.864
  478   1HG1  VAL  63          1HG1      VAL  63  -5.681  -4.438  -8.120
  479   2HG1  VAL  63          2HG1      VAL  63  -5.012  -5.785  -7.204
  480   3HG1  VAL  63          3HG1      VAL  63  -5.419  -4.278  -6.384
  481   1HG2  VAL  63          1HG2      VAL  63  -8.097  -3.653  -7.429
  482   2HG2  VAL  63          2HG2      VAL  63  -9.116  -5.088  -7.541
  483   3HG2  VAL  63          3HG2      VAL  63  -7.895  -4.776  -8.774
  484    H    ALA  64           H        ALA  64  -7.685  -7.465  -4.783
  485    HA   ALA  64           HA       ALA  64  -5.169  -8.208  -3.795
  486   1HB   ALA  64          1HB       ALA  64  -7.586  -7.851  -2.666
  487   2HB   ALA  64          2HB       ALA  64  -6.251  -8.676  -1.861
  488   3HB   ALA  64          3HB       ALA  64  -7.512  -9.613  -2.663
  489    H    GLN  65           H        GLN  65  -7.478  -9.935  -5.719
  490    HA   GLN  65           HA       GLN  65  -6.180 -12.500  -5.291
  491   1HB   GLN  65          1HB       GLN  65  -8.617 -12.441  -5.413
  492   2HB   GLN  65          2HB       GLN  65  -8.544 -11.728  -7.014
  493   1HG   GLN  65          1HG       GLN  65  -7.356 -14.413  -6.394
  494   2HG   GLN  65          2HG       GLN  65  -9.045 -14.213  -6.844
  495   1HE2  GLN  65          1HE2      GLN  65  -7.895 -11.870  -8.620
  496   2HE2  GLN  65          2HE2      GLN  65  -7.400 -12.711 -10.039
  497    H    LYS  66           H        LYS  66  -6.533 -10.047  -7.821
  498    HA   LYS  66           HA       LYS  66  -5.353 -11.514  -9.903
  499   1HB   LYS  66          1HB       LYS  66  -5.260  -9.522 -11.125
  500   2HB   LYS  66          2HB       LYS  66  -6.627  -9.297 -10.048
  501   1HG   LYS  66          1HG       LYS  66  -5.595  -7.275  -9.871
  502   2HG   LYS  66          2HG       LYS  66  -4.872  -8.139  -8.522
  503   1HD   LYS  66          1HD       LYS  66  -3.174  -6.915  -9.757
  504   2HD   LYS  66          2HD       LYS  66  -2.906  -8.649  -9.905
  505   1HE   LYS  66          1HE       LYS  66  -3.949  -8.635 -12.108
  506   2HE   LYS  66          2HE       LYS  66  -4.275  -6.909 -11.953
  507   1HZ   LYS  66          1HZ       LYS  66  -1.927  -6.471 -11.923
  508   2HZ   LYS  66          2HZ       LYS  66  -2.290  -7.399 -13.290
  509   3HZ   LYS  66          3HZ       LYS  66  -1.566  -8.124 -11.945
  510    H    ASN  67           H        ASN  67  -3.940  -9.405  -7.443
  511    HA   ASN  67           HA       ASN  67  -1.267  -9.818  -8.424
  512   1HB   ASN  67          1HB       ASN  67  -2.400  -8.412  -6.002
  513   2HB   ASN  67          2HB       ASN  67  -0.680  -8.488  -6.382
  514   1HD2  ASN  67          1HD2      ASN  67  -3.314  -6.605  -6.578
  515   2HD2  ASN  67          2HD2      ASN  67  -2.886  -5.621  -7.952
  516    H    GLU  68           H        GLU  68  -3.362 -11.722  -6.779
  517    HA   GLU  68           HA       GLU  68  -3.157 -13.626  -5.572
  518   1HB   GLU  68          1HB       GLU  68  -0.199 -13.290  -6.102
  519   2HB   GLU  68          2HB       GLU  68  -0.965 -14.742  -5.476
  520   1HG   GLU  68          1HG       GLU  68  -2.238 -14.968  -7.545
  521   2HG   GLU  68          2HG       GLU  68  -1.475 -13.509  -8.173
  522    H    VAL  69           H        VAL  69  -3.230 -11.085  -4.219
  523    HA   VAL  69           HA       VAL  69  -1.608 -11.717  -1.837
  524    HB   VAL  69           HB       VAL  69  -2.796  -9.035  -2.555
  525   1HG1  VAL  69          1HG1      VAL  69  -0.728  -9.763  -0.483
  526   2HG1  VAL  69          2HG1      VAL  69  -2.436  -9.479  -0.144
  527   3HG1  VAL  69          3HG1      VAL  69  -1.433  -8.170  -0.769
  528   1HG2  VAL  69          1HG2      VAL  69  -1.066  -9.690  -4.164
  529   2HG2  VAL  69          2HG2      VAL  69   0.057  -9.978  -2.835
  530   3HG2  VAL  69          3HG2      VAL  69  -0.537  -8.347  -3.152
  531    H    SER  70           H        SER  70  -3.565 -13.286  -1.679
  532    HA   SER  70           HA       SER  70  -6.043 -12.162  -0.800
  533   1HB   SER  70          1HB       SER  70  -6.668 -14.473  -0.253
  534   2HB   SER  70          2HB       SER  70  -5.952 -14.374  -1.871
  535    HG   SER  70           HG       SER  70  -4.592 -15.809  -1.184
  536    H    ALA  71           H        ALA  71  -3.036 -12.643   0.693
  537    HA   ALA  71           HA       ALA  71  -3.715 -13.321   3.310
  538   1HB   ALA  71          1HB       ALA  71  -1.609 -11.502   3.526
  539   2HB   ALA  71          2HB       ALA  71  -1.415 -12.244   1.937
  540   3HB   ALA  71          3HB       ALA  71  -1.490 -13.256   3.380
  541    H    MET  72           H        MET  72  -2.920 -11.296   5.008
  542    HA   MET  72           HA       MET  72  -4.145  -8.820   4.483
  543   1HB   MET  72          1HB       MET  72  -6.153  -8.965   5.805
  544   2HB   MET  72          2HB       MET  72  -6.190 -10.169   4.527
  545   1HG   MET  72          1HG       MET  72  -5.476 -10.702   7.395
  546   2HG   MET  72          2HG       MET  72  -7.043 -11.010   6.661
  547   1HE   MET  72          1HE       MET  72  -4.839 -13.931   7.850
  548   2HE   MET  72          2HE       MET  72  -6.396 -14.400   7.167
  549   3HE   MET  72          3HE       MET  72  -6.270 -12.945   8.156
  550    HA   PRO  73           HA       PRO  73  -3.578  -7.155   4.769
  551   1HB   PRO  73          1HB       PRO  73  -1.913  -5.192   5.378
  552   2HB   PRO  73          2HB       PRO  73  -3.415  -5.414   6.300
  553   1HG   PRO  73          1HG       PRO  73  -0.620  -6.172   7.015
  554   2HG   PRO  73          2HG       PRO  73  -1.893  -5.491   8.035
  555   1HD   PRO  73          1HD       PRO  73  -1.214  -8.192   7.876
  556   2HD   PRO  73          2HD       PRO  73  -2.730  -7.542   8.534
  557    H    THR  74           H        THR  74  -1.629  -5.786   3.526
  558    HA   THR  74           HA       THR  74   0.794  -7.304   3.243
  559    HB   THR  74           HB       THR  74  -1.130  -7.244   0.913
  560    HG1  THR  74           HG1      THR  74  -0.576  -9.184   2.844
  561   1HG2  THR  74          1HG2      THR  74   0.933  -9.179   0.647
  562   2HG2  THR  74          2HG2      THR  74   1.661  -7.607   0.964
  563   3HG2  THR  74          3HG2      THR  74   0.558  -7.806  -0.393
  564    H    LEU  75           H        LEU  75   2.371  -6.217   1.979
  565    HA   LEU  75           HA       LEU  75   1.641  -3.431   1.371
  566   1HB   LEU  75          1HB       LEU  75   4.335  -4.585   2.078
  567   2HB   LEU  75          2HB       LEU  75   4.014  -2.899   1.717
  568    HG   LEU  75           HG       LEU  75   2.997  -4.457   4.093
  569   1HD1  LEU  75          1HD1      LEU  75   5.204  -2.558   3.608
  570   2HD1  LEU  75          2HD1      LEU  75   5.086  -3.898   4.744
  571   3HD1  LEU  75          3HD1      LEU  75   4.296  -2.365   5.106
  572   1HD2  LEU  75          1HD2      LEU  75   1.243  -3.040   3.877
  573   2HD2  LEU  75          2HD2      LEU  75   2.150  -1.887   2.900
  574   3HD2  LEU  75          3HD2      LEU  75   2.362  -1.917   4.651
  575    H    LEU  76           H        LEU  76   1.697  -2.788  -0.665
  576    HA   LEU  76           HA       LEU  76   3.386  -4.264  -2.574
  577   1HB   LEU  76          1HB       LEU  76   0.617  -3.146  -3.049
  578   2HB   LEU  76          2HB       LEU  76   1.655  -3.814  -4.306
  579    HG   LEU  76           HG       LEU  76   0.320  -5.266  -2.031
  580   1HD1  LEU  76          1HD1      LEU  76   0.155  -6.445  -4.653
  581   2HD1  LEU  76          2HD1      LEU  76  -0.412  -4.776  -4.673
  582   3HD1  LEU  76          3HD1      LEU  76  -1.134  -5.939  -3.562
  583   1HD2  LEU  76          1HD2      LEU  76   2.761  -5.973  -3.539
  584   2HD2  LEU  76          2HD2      LEU  76   1.557  -7.246  -3.345
  585   3HD2  LEU  76          3HD2      LEU  76   2.243  -6.457  -1.925
  586    H    LEU  77           H        LEU  77   4.848  -3.025  -3.565
  587    HA   LEU  77           HA       LEU  77   4.426  -0.111  -3.545
  588   1HB   LEU  77          1HB       LEU  77   7.004  -1.674  -3.689
  589   2HB   LEU  77          2HB       LEU  77   6.878   0.074  -3.726
  590    HG   LEU  77           HG       LEU  77   5.901   0.019  -1.442
  591   1HD1  LEU  77          1HD1      LEU  77   6.137  -2.887  -1.915
  592   2HD1  LEU  77          2HD1      LEU  77   4.967  -1.981  -0.956
  593   3HD1  LEU  77          3HD1      LEU  77   6.575  -2.307  -0.308
  594   1HD2  LEU  77          1HD2      LEU  77   8.637  -0.913  -2.106
  595   2HD2  LEU  77          2HD2      LEU  77   8.132  -0.990  -0.418
  596   3HD2  LEU  77          3HD2      LEU  77   8.105   0.550  -1.278
  597    H    PHE  78           H        PHE  78   4.928   1.112  -5.390
  598    HA   PHE  78           HA       PHE  78   5.538  -0.291  -7.883
  599   1HB   PHE  78          1HB       PHE  78   3.073   1.445  -7.598
  600   2HB   PHE  78          2HB       PHE  78   3.554   0.515  -9.007
  601    HD1  PHE  78           HD1      PHE  78   3.742  -2.074  -8.637
  602    HD2  PHE  78           HD2      PHE  78   1.548   0.571  -6.131
  603    HE1  PHE  78           HE1      PHE  78   2.398  -3.967  -7.820
  604    HE2  PHE  78           HE2      PHE  78   0.202  -1.316  -5.311
  605    HZ   PHE  78           HZ       PHE  78   0.620  -3.584  -6.154
  606    H    LYS  79           H        LYS  79   6.905   0.978  -9.131
  607    HA   LYS  79           HA       LYS  79   6.868   3.878  -8.533
  608   1HB   LYS  79          1HB       LYS  79   9.190   2.117  -9.296
  609   2HB   LYS  79          2HB       LYS  79   9.251   3.869  -9.404
  610   1HG   LYS  79          1HG       LYS  79   8.711   3.984  -6.984
  611   2HG   LYS  79          2HG       LYS  79   8.822   2.227  -6.919
  612   1HD   LYS  79          1HD       LYS  79  10.910   3.094  -6.170
  613   2HD   LYS  79          2HD       LYS  79  11.173   2.442  -7.786
  614   1HE   LYS  79          1HE       LYS  79  10.604   5.351  -7.276
  615   2HE   LYS  79          2HE       LYS  79  12.235   4.687  -7.276
  616   1HZ   LYS  79          1HZ       LYS  79  10.524   5.321  -9.486
  617   2HZ   LYS  79          2HZ       LYS  79  11.173   3.762  -9.598
  618   3HZ   LYS  79          3HZ       LYS  79  12.200   5.097  -9.448
  619    H    ASN  80           H        ASN  80   6.705   5.339 -10.159
  620    HA   ASN  80           HA       ASN  80   6.054   6.119 -12.194
  621   1HB   ASN  80          1HB       ASN  80   8.173   4.147 -13.059
  622   2HB   ASN  80          2HB       ASN  80   7.485   5.388 -14.102
  623   1HD2  ASN  80          1HD2      ASN  80   8.652   7.141 -14.269
  624   2HD2  ASN  80          2HD2      ASN  80   9.726   7.776 -13.073
  625    H    GLY  81           H        GLY  81   4.140   4.477 -11.390
  626   1HA   GLY  81          1HA       GLY  81   2.385   3.188 -12.094
  627   2HA   GLY  81          2HA       GLY  81   2.838   3.677 -13.721
  628    H    LYS  82           H        LYS  82   5.221   2.019 -11.907
  629    HA   LYS  82           HA       LYS  82   4.622  -0.475 -13.352
  630   1HB   LYS  82          1HB       LYS  82   7.337   0.692 -12.697
  631   2HB   LYS  82          2HB       LYS  82   7.060  -0.859 -13.473
  632   1HG   LYS  82          1HG       LYS  82   6.027   0.263 -15.373
  633   2HG   LYS  82          2HG       LYS  82   6.305   1.822 -14.600
  634   1HD   LYS  82          1HD       LYS  82   8.718   1.418 -14.648
  635   2HD   LYS  82          2HD       LYS  82   8.440  -0.147 -15.413
  636   1HE   LYS  82          1HE       LYS  82   7.711   2.544 -16.563
  637   2HE   LYS  82          2HE       LYS  82   9.078   1.546 -17.056
  638   1HZ   LYS  82          1HZ       LYS  82   6.335   1.371 -17.830
  639   2HZ   LYS  82          2HZ       LYS  82   6.916  -0.111 -17.260
  640   3HZ   LYS  82          3HZ       LYS  82   7.701   0.667 -18.540
  641    H    GLU  83           H        GLU  83   6.782  -1.855 -12.021
  642    HA   GLU  83           HA       GLU  83   5.555  -2.151  -9.367
  643   1HB   GLU  83          1HB       GLU  83   5.375  -4.098 -10.872
  644   2HB   GLU  83          2HB       GLU  83   7.119  -4.123 -11.058
  645   1HG   GLU  83          1HG       GLU  83   7.425  -4.790  -8.795
  646   2HG   GLU  83          2HG       GLU  83   5.716  -4.534  -8.430
  647    H    VAL  84           H        VAL  84   7.300  -3.219  -7.796
  648    HA   VAL  84           HA       VAL  84  10.010  -2.436  -8.164
  649    HB   VAL  84           HB       VAL  84  10.039  -0.915  -6.116
  650   1HG1  VAL  84          1HG1      VAL  84   8.629   0.528  -8.273
  651   2HG1  VAL  84          2HG1      VAL  84  10.074  -0.375  -8.732
  652   3HG1  VAL  84          3HG1      VAL  84  10.170   0.869  -7.490
  653   1HG2  VAL  84          1HG2      VAL  84   8.105  -0.613  -5.074
  654   2HG2  VAL  84          2HG2      VAL  84   7.204  -1.361  -6.389
  655   3HG2  VAL  84          3HG2      VAL  84   7.590   0.356  -6.452
  656    H    ALA  85           H        ALA  85   7.522  -3.171  -5.702
  657    HA   ALA  85           HA       ALA  85   8.938  -5.499  -4.876
  658   1HB   ALA  85          1HB       ALA  85   9.231  -4.573  -2.464
  659   2HB   ALA  85          2HB       ALA  85   9.259  -3.005  -3.269
  660   3HB   ALA  85          3HB       ALA  85  10.452  -4.233  -3.689
  661    H    LYS  86           H        LYS  86   7.987  -6.424  -2.820
  662    HA   LYS  86           HA       LYS  86   5.371  -5.551  -2.045
  663   1HB   LYS  86          1HB       LYS  86   4.115  -7.451  -2.813
  664   2HB   LYS  86          2HB       LYS  86   4.896  -6.701  -4.197
  665   1HG   LYS  86          1HG       LYS  86   5.991  -9.100  -2.764
  666   2HG   LYS  86          2HG       LYS  86   4.933  -9.196  -4.168
  667   1HD   LYS  86          1HD       LYS  86   7.644  -7.873  -4.072
  668   2HD   LYS  86          2HD       LYS  86   7.271  -9.424  -4.818
  669   1HE   LYS  86          1HE       LYS  86   6.186  -6.733  -5.640
  670   2HE   LYS  86          2HE       LYS  86   7.389  -7.689  -6.506
  671   1HZ   LYS  86          1HZ       LYS  86   4.504  -8.035  -6.353
  672   2HZ   LYS  86          2HZ       LYS  86   5.426  -9.454  -6.347
  673   3HZ   LYS  86          3HZ       LYS  86   5.569  -8.360  -7.628
  674    H    VAL  87           H        VAL  87   4.966  -6.194  -0.009
  675    HA   VAL  87           HA       VAL  87   6.240  -8.608   1.022
  676    HB   VAL  87           HB       VAL  87   6.585  -5.932   2.385
  677   1HG1  VAL  87          1HG1      VAL  87   8.241  -8.173   3.249
  678   2HG1  VAL  87          2HG1      VAL  87   6.518  -8.427   3.525
  679   3HG1  VAL  87          3HG1      VAL  87   7.319  -7.010   4.202
  680   1HG2  VAL  87          1HG2      VAL  87   8.633  -7.641   0.976
  681   2HG2  VAL  87          2HG2      VAL  87   8.949  -6.137   1.842
  682   3HG2  VAL  87          3HG2      VAL  87   7.973  -6.120   0.374
  683    H    VAL  88           H        VAL  88   4.531  -9.702   1.740
  684    HA   VAL  88           HA       VAL  88   2.141  -8.478   2.662
  685    HB   VAL  88           HB       VAL  88   2.037 -10.666   1.641
  686   1HG1  VAL  88          1HG1      VAL  88   3.851 -11.945   2.024
  687   2HG1  VAL  88          2HG1      VAL  88   2.905 -12.545   3.387
  688   3HG1  VAL  88          3HG1      VAL  88   4.110 -11.281   3.637
  689   1HG2  VAL  88          1HG2      VAL  88   0.221 -11.020   2.864
  690   2HG2  VAL  88          2HG2      VAL  88   0.878 -10.024   4.162
  691   3HG2  VAL  88          3HG2      VAL  88   1.212 -11.755   4.125
  692    H    GLY  89           H        GLY  89   3.372  -7.066   4.227
  693   1HA   GLY  89          1HA       GLY  89   2.711  -7.460   6.805
  694   2HA   GLY  89          2HA       GLY  89   4.231  -8.335   6.686
  695    H    ALA  90           H        ALA  90   2.902  -5.455   7.530
  696    HA   ALA  90           HA       ALA  90   5.167  -3.818   6.663
  697   1HB   ALA  90          1HB       ALA  90   2.950  -2.721   8.320
  698   2HB   ALA  90          2HB       ALA  90   2.622  -3.151   6.641
  699   3HB   ALA  90          3HB       ALA  90   3.870  -1.963   7.020
  700    H    ASN  91           H        ASN  91   5.719  -5.859   8.542
  701    HA   ASN  91           HA       ASN  91   5.752  -4.934  11.194
  702   1HB   ASN  91          1HB       ASN  91   7.514  -6.946   9.784
  703   2HB   ASN  91          2HB       ASN  91   7.413  -6.732  11.521
  704   1HD2  ASN  91          1HD2      ASN  91   6.215  -8.188  12.487
  705   2HD2  ASN  91          2HD2      ASN  91   4.811  -8.951  11.829
  706    HA   PRO  92           HA       PRO  92   8.797  -1.691  11.055
  707   1HB   PRO  92          1HB       PRO  92   9.490  -2.879  13.715
  708   2HB   PRO  92          2HB       PRO  92   9.255  -1.184  13.268
  709   1HG   PRO  92          1HG       PRO  92   7.331  -2.462  14.544
  710   2HG   PRO  92          2HG       PRO  92   6.934  -1.396  13.180
  711   1HD   PRO  92          1HD       PRO  92   7.029  -4.382  13.283
  712   2HD   PRO  92          2HD       PRO  92   5.904  -3.317  12.412
  713    H    ALA  93           H        ALA  93  10.033  -2.793   9.381
  714    HA   ALA  93           HA       ALA  93  12.698  -3.221  10.031
  715   1HB   ALA  93          1HB       ALA  93  11.076  -5.536  10.511
  716   2HB   ALA  93          2HB       ALA  93  12.802  -5.307  10.785
  717   3HB   ALA  93          3HB       ALA  93  12.227  -5.870   9.216
  718    H    ALA  94           H        ALA  94  10.062  -4.050   7.832
  719    HA   ALA  94           HA       ALA  94  11.936  -3.688   5.593
  720   1HB   ALA  94          1HB       ALA  94  10.054  -5.016   4.336
  721   2HB   ALA  94          2HB       ALA  94   9.673  -5.585   5.961
  722   3HB   ALA  94          3HB       ALA  94  11.277  -5.861   5.284
  723    H    ILE  95           H        ILE  95   8.559  -3.159   6.585
  724    HA   ILE  95           HA       ILE  95   7.735  -1.658   4.411
  725    HB   ILE  95           HB       ILE  95   6.157  -2.355   6.083
  726   1HG1  ILE  95          1HG1      ILE  95   4.889  -0.303   6.435
  727   2HG1  ILE  95          2HG1      ILE  95   6.325   0.667   6.124
  728   1HG2  ILE  95          1HG2      ILE  95   7.987  -0.925   7.899
  729   2HG2  ILE  95          2HG2      ILE  95   7.042  -2.393   8.156
  730   3HG2  ILE  95          3HG2      ILE  95   6.266  -0.813   8.273
  731   1HD1  ILE  95          1HD1      ILE  95   6.138  -0.839   3.852
  732   2HD1  ILE  95          2HD1      ILE  95   5.536   0.804   4.046
  733   3HD1  ILE  95          3HD1      ILE  95   4.447  -0.564   4.268
  734    H    LYS  96           H        LYS  96  10.143  -0.872   6.702
  735    HA   LYS  96           HA       LYS  96   9.858   2.005   6.295
  736   1HB   LYS  96          1HB       LYS  96  11.716   2.210   7.897
  737   2HB   LYS  96          2HB       LYS  96  10.389   1.261   8.550
  738   1HG   LYS  96          1HG       LYS  96  11.637  -0.797   8.007
  739   2HG   LYS  96          2HG       LYS  96  12.982   0.201   7.453
  740   1HD   LYS  96          1HD       LYS  96  11.827   0.188  10.240
  741   2HD   LYS  96          2HD       LYS  96  13.334  -0.586   9.744
  742   1HE   LYS  96          1HE       LYS  96  14.245   1.594   9.114
  743   2HE   LYS  96          2HE       LYS  96  12.739   2.368   9.605
  744   1HZ   LYS  96          1HZ       LYS  96  14.120   0.696  11.570
  745   2HZ   LYS  96          2HZ       LYS  96  13.210   2.104  11.800
  746   3HZ   LYS  96          3HZ       LYS  96  14.793   2.209  11.214
  747    H    GLN  97           H        GLN  97  12.318  -0.516   5.762
  748    HA   GLN  97           HA       GLN  97  14.006   1.228   4.255
  749   1HB   GLN  97          1HB       GLN  97  13.995  -1.791   4.466
  750   2HB   GLN  97          2HB       GLN  97  15.268  -0.837   3.717
  751   1HG   GLN  97          1HG       GLN  97  15.708   0.245   5.871
  752   2HG   GLN  97          2HG       GLN  97  14.456  -0.749   6.613
  753   1HE2  GLN  97          1HE2      GLN  97  15.228  -2.397   7.699
  754   2HE2  GLN  97          2HE2      GLN  97  16.656  -3.294   7.323
  755    H    ALA  98           H        ALA  98  11.460  -1.050   3.523
  756    HA   ALA  98           HA       ALA  98  11.890  -1.349   0.769
  757   1HB   ALA  98          1HB       ALA  98   9.561  -2.038   0.640
  758   2HB   ALA  98          2HB       ALA  98   9.257  -1.360   2.240
  759   3HB   ALA  98          3HB       ALA  98  10.334  -2.743   2.060
  760    H    ILE  99           H        ILE  99  10.597   1.259   2.633
  761    HA   ILE  99           HA       ILE  99   9.490   2.616   0.313
  762    HB   ILE  99           HB       ILE  99   9.648   3.474   3.211
  763   1HG1  ILE  99          1HG1      ILE  99   7.344   2.399   1.566
  764   2HG1  ILE  99          2HG1      ILE  99   8.195   1.530   2.840
  765   1HG2  ILE  99          1HG2      ILE  99   8.103   4.711   0.929
  766   2HG2  ILE  99          2HG2      ILE  99   9.565   5.380   1.652
  767   3HG2  ILE  99          3HG2      ILE  99   8.094   5.242   2.611
  768   1HD1  ILE  99          1HD1      ILE  99   7.258   2.822   4.517
  769   2HD1  ILE  99          2HD1      ILE  99   5.933   2.632   3.368
  770   3HD1  ILE  99          3HD1      ILE  99   6.851   4.135   3.415
  771    H    ALA 100           H        ALA 100  12.427   2.469   2.062
  772    HA   ALA 100           HA       ALA 100  13.317   5.112   1.234
  773   1HB   ALA 100          1HB       ALA 100  14.815   2.980   2.753
  774   2HB   ALA 100          2HB       ALA 100  13.872   4.277   3.487
  775   3HB   ALA 100          3HB       ALA 100  15.305   4.661   2.534
  776    H    ALA 101           H        ALA 101  14.743   1.854   1.025
  777    HA   ALA 101           HA       ALA 101  16.630   2.340  -0.904
  778   1HB   ALA 101          1HB       ALA 101  15.998  -0.174  -1.559
  779   2HB   ALA 101          2HB       ALA 101  15.157  -0.062  -0.014
  780   3HB   ALA 101          3HB       ALA 101  16.893   0.242  -0.098
  781    H    ASN 102           H        ASN 102  13.178   2.002  -1.306
  782    HA   ASN 102           HA       ASN 102  13.411   1.818  -4.194
  783   1HB   ASN 102          1HB       ASN 102  11.146   1.672  -2.233
  784   2HB   ASN 102          2HB       ASN 102  10.832   1.922  -3.950
  785   1HD2  ASN 102          1HD2      ASN 102  10.977  -0.357  -1.648
  786   2HD2  ASN 102          2HD2      ASN 102  11.387  -1.737  -2.602
  787    H    ALA 103           H        ALA 103  12.382   4.129  -1.727
  788    HA   ALA 103           HA       ALA 103  12.094   6.158  -3.848
  789   1HB   ALA 103          1HB       ALA 103  10.951   6.356  -1.073
  790   2HB   ALA 103          2HB       ALA 103  10.079   5.637  -2.423
  791   3HB   ALA 103          3HB       ALA 103  10.556   7.332  -2.487