*HEADER    ELECTRON TRANSPORT                      15-SEP-04   1XFL              
*TITLE     SOLUTION STRUCTURE OF THIOREDOXIN H1 FROM ARABIDOPSIS                 
*TITLE    2 THALIANA                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THIOREDOXIN H1;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TRXH1, TRX-H-1, THIOREDOXIN H-TYPE 1;                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS;                                    
*SOURCE   4 GENE: AT3G51030;                                                     
*SOURCE   5 EXPRESSION_SYSTEM: TRITICUM AESTIVUM;                                
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: WHEAT GERM;                                
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: WHEAT GERM CELL-FREE EXPRESSION            
*SOURCE   8 SYSTEM;                                                              
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PEU(N)HIS6-AT3G51030                      
*KEYWDS    AT3G51030, THIOREDOXIN, STRUCTURAL GENOMICS, PROTEIN                  
*KEYWDS   2 STRUCTURE INITIATIVE, CESG                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    F.C.PETERSON, B.L.LYTLE, S.SAMPATH, D.VINAROV, E.TYLER,               
*AUTHOR   2 M.SHAHAN, J.L.MARKLEY, B.F.VOLKMAN                                   
*REVDAT   1   28-SEP-04 1XFL    0                                                


assign (resid   7 and name HA   ) (resid   7 and name HB2  )    0.000    0.000    2.800
assign (resid  15 and name HA   ) (resid  15 and name HB1  )    0.000    0.000    3.020
assign (resid  15 and name HA   ) (resid  15 and name HB2  )    0.000    0.000    3.020
assign (resid  18 and name HA   ) (resid  18 and name HB2  )    0.000    0.000    3.020
assign (resid  18 and name HA   ) (resid  18 and name HB1  )    0.000    0.000    3.020
assign (resid  20 and name HA   ) (resid  20 and name HB2  )    0.000    0.000    2.800
assign (resid  20 and name HA   ) (resid  20 and name HB1  )    0.000    0.000    2.800
assign (resid  21 and name HA   ) (resid  21 and name HB2  )    0.000    0.000    2.830
assign (resid  21 and name HA   ) (resid  21 and name HB1  )    0.000    0.000    2.830
assign (resid  27 and name HA   ) (resid  27 and name HB1  )    0.000    0.000    2.960
assign (resid  27 and name HA   ) (resid  27 and name HB2  )    0.000    0.000    2.960
assign (resid  28 and name HA   ) (resid  28 and name HB2  )    0.000    0.000    2.800
assign (resid  28 and name HA   ) (resid  28 and name HB1  )    0.000    0.000    2.800
assign (resid  29 and name HA   ) (resid  29 and name HB   )    0.000    0.000    2.990
assign (resid  31 and name HA   ) (resid  31 and name HB   )    0.000    0.000    2.650
assign (resid  32 and name HA   ) (resid  32 and name HB   )    0.000    0.000    2.860
assign (resid  36 and name HA   ) (resid  36 and name HB   )    0.000    0.000    2.800
assign (resid  39 and name HA   ) (resid  39 and name HB2  )    0.000    0.000    2.710
assign (resid  39 and name HA   ) (resid  39 and name HB1  )    0.000    0.000    2.710
assign (resid  43 and name HA   ) (resid  43 and name HB2  )    0.000    0.000    3.020
assign (resid  43 and name HA   ) (resid  43 and name HB1  )    0.000    0.000    3.020
assign (resid  46 and name HA   ) (resid  46 and name HB   )    0.000    0.000    2.770
assign (resid  59 and name HA   ) (resid  59 and name HB2  )    0.000    0.000    2.960
assign (resid  59 and name HA   ) (resid  59 and name HB1  )    0.000    0.000    2.960
assign (resid  66 and name HA   ) (resid  66 and name HB2  )    0.000    0.000    2.860
assign (resid  66 and name HA   ) (resid  66 and name HB1  )    0.000    0.000    2.860
assign (resid  67 and name HA   ) (resid  67 and name HB   )    0.000    0.000    2.620
assign (resid  72 and name HA   ) (resid  72 and name HB2  )    0.000    0.000    2.930
assign (resid  72 and name HA   ) (resid  72 and name HB1  )    0.000    0.000    2.930
assign (resid  77 and name HA   ) (resid  77 and name HB1  )    0.000    0.000    2.900
assign (resid  77 and name HA   ) (resid  77 and name HB2  )    0.000    0.000    2.900
assign (resid  84 and name HA   ) (resid  84 and name HB   )    0.000    0.000    2.710
assign (resid  89 and name HA   ) (resid  89 and name HB1  )    0.000    0.000    2.960
assign (resid  89 and name HA   ) (resid  89 and name HB2  )    0.000    0.000    2.960
assign (resid  90 and name HA   ) (resid  90 and name HB1  )    0.000    0.000    2.900
assign (resid  90 and name HA   ) (resid  90 and name HB2  )    0.000    0.000    2.900
assign (resid  94 and name HA   ) (resid  94 and name HB1  )    0.000    0.000    2.960
assign (resid  94 and name HA   ) (resid  94 and name HB2  )    0.000    0.000    2.960
assign (resid  98 and name HA   ) (resid  98 and name HB   )    0.000    0.000    2.830
assign (resid 102 and name HA   ) (resid 102 and name HB2  )    0.000    0.000    2.960
assign (resid 111 and name HA   ) (resid 111 and name HB2  )    0.000    0.000    2.770
assign (resid 113 and name HA   ) (resid 113 and name HB2  )    0.000    0.000    2.860
assign (resid 113 and name HA   ) (resid 113 and name HB1  )    0.000    0.000    2.860
assign (resid 111 and name HA   ) (resid 111 and name HB1  )    0.000    0.000    2.770
assign (resid  65 and name HA   ) (resid  66 and name HN   )    0.000    0.000    2.590
assign (resid  67 and name HA   ) (resid  68 and name HN   )    0.000    0.000    3.480
assign (resid 102 and name HA   ) (resid 102 and name HB1  )    0.000    0.000    2.960
assign (resid 102 and name HN   ) (resid 102 and name HB1  )    0.000    0.000    3.240
assign (resid  32 and name HN   ) (resid  32 and name HB   )    0.000    0.000    3.050
assign (resid   2 and name HA   ) (resid   3 and name HN   )    0.000    0.000    3.140
assign (resid   1 and name HA   ) (resid   2 and name HN   )    0.000    0.000    2.800
assign (resid  27 and name HN   ) (resid  27 and name HB1  )    0.000    0.000    3.520
assign (resid   5 and name HA   ) (resid   6 and name HN   )    0.000    0.000    2.620
assign (resid   6 and name HA1  ) (resid   7 and name HN   )    0.000    0.000    3.580
assign (resid   6 and name HA2  ) (resid   7 and name HN   )    0.000    0.000    3.580
assign (resid   7 and name HA   ) (resid   7 and name HB1  )    0.000    0.000    2.800
assign (resid   7 and name HB2  ) (resid   8 and name HN   )    0.000    0.000    3.450
assign (resid   8 and name HN   ) (resid   8 and name HB   )    0.000    0.000    2.650
assign (resid   8 and name HA   ) (resid   9 and name HN   )    0.000    0.000    2.550
assign (resid   9 and name HN   ) (resid   9 and name HB   )    0.000    0.000    2.930
assign (resid  11 and name HB2  ) (resid  13 and name HN   )    0.000    0.000    3.760
assign (resid  11 and name HN   ) (resid  11 and name HB2  )    0.000    0.000    3.420
assign (resid  36 and name HB   ) (resid  37 and name HN   )    0.000    0.000    3.760
assign (resid  36 and name HN   ) (resid  36 and name HB   )    0.000    0.000    3.330
assign (resid  10 and name HA   ) (resid  11 and name HN   )    0.000    0.000    2.740
assign (resid  13 and name HA   ) (resid  14 and name HN   )    0.000    0.000    3.050
assign (resid  13 and name HB   ) (resid  14 and name HN   )    0.000    0.000    3.140
assign (resid  73 and name HA   ) (resid  76 and name HB1  )    0.000    0.000    3.640
assign (resid  14 and name HA   ) (resid  14 and name HB   )    0.000    0.000    2.930
assign (resid  15 and name HN   ) (resid  15 and name HB2  )    0.000    0.000    3.170
assign (resid  15 and name HN   ) (resid  15 and name HB1  )    0.000    0.000    3.170
assign (resid  15 and name HN   ) (resid  15 and name HA   )    0.000    0.000    2.830
assign (resid  13 and name HN   ) (resid  16 and name HB   )    0.000    0.000    3.330
assign (resid  14 and name HA   ) (resid  17 and name HB1  )    0.000    0.000    3.170
assign (resid  14 and name HA   ) (resid  17 and name HB2  )    0.000    0.000    3.170
assign (resid  17 and name HN   ) (resid  17 and name HB2  )    0.000    0.000    2.990
assign (resid  17 and name HN   ) (resid  17 and name HB1  )    0.000    0.000    2.990
assign (resid  18 and name HA   ) (resid  21 and name HN   )    0.000    0.000    3.640
assign (resid  18 and name HA   ) (resid  19 and name HN   )    0.000    0.000    3.580
assign (resid  18 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    3.170
assign (resid  18 and name HB1  ) (resid  19 and name HN   )    0.000    0.000    3.760
assign (resid  18 and name HN   ) (resid  18 and name HB1  )    0.000    0.000    3.170
assign (resid  19 and name HN   ) (resid  19 and name HA   )    0.000    0.000    2.860
assign (resid  19 and name HN   ) (resid  19 and name HB2  )    0.000    0.000    2.960
assign (resid  19 and name HN   ) (resid  19 and name HB1  )    0.000    0.000    2.960
assign (resid  20 and name HN   ) (resid  20 and name HB2  )    0.000    0.000    3.240
assign (resid  20 and name HN   ) (resid  20 and name HB1  )    0.000    0.000    3.240
assign (resid  21 and name HN   ) (resid  21 and name HB1  )    0.000    0.000    3.140
assign (resid  21 and name HN   ) (resid  21 and name HB2  )    0.000    0.000    3.140
assign (resid  21 and name HB2  ) (resid  22 and name HN   )    0.000    0.000    3.300
assign (resid  21 and name HA   ) (resid  24 and name HN   )    0.000    0.000    3.110
assign (resid  22 and name HN   ) (resid  22 and name HA   )    0.000    0.000    2.740
assign (resid  23 and name HN   ) (resid  23 and name HB#  )    0.000    0.000    3.900
assign (resid  22 and name HA   ) (resid  25 and name HB1  )    0.000    0.000    3.210
assign (resid  25 and name HB1  ) (resid  26 and name HN   )    0.000    0.000    3.210
assign (resid  25 and name HN   ) (resid  25 and name HB1  )    0.000    0.000    2.930
assign (resid  25 and name HB2  ) (resid  26 and name HN   )    0.000    0.000    3.210
assign (resid  26 and name HB#  ) (resid  27 and name HN   )    0.000    0.000    4.520
assign (resid  28 and name HA   ) (resid  29 and name HN   )    0.000    0.000    3.210
assign (resid  29 and name HA   ) (resid  30 and name HN   )    0.000    0.000    2.590
assign (resid  31 and name HN   ) (resid  31 and name HB   )    0.000    0.000    3.110
assign (resid  32 and name HA   ) (resid  33 and name HN   )    0.000    0.000    2.490
assign (resid  33 and name HN   ) (resid  33 and name HB   )    0.000    0.000    3.140
assign (resid  34 and name HN   ) (resid  34 and name HB1  )    0.000    0.000    3.170
assign (resid  34 and name HN   ) (resid  34 and name HB2  )    0.000    0.000    3.170
assign (resid  34 and name HA   ) (resid  85 and name HA   )    0.000    0.000    3.270
assign (resid  35 and name HN   ) (resid  35 and name HB2  )    0.000    0.000    3.450
assign (resid  35 and name HN   ) (resid  35 and name HB1  )    0.000    0.000    3.450
assign (resid  39 and name HN   ) (resid  39 and name HB2  )    0.000    0.000    3.670
assign (resid  39 and name HN   ) (resid  39 and name HB1  )    0.000    0.000    3.670
assign (resid  43 and name HN   ) (resid  43 and name HB2  )    0.000    0.000    3.890
assign (resid  43 and name HB2  ) (resid  44 and name HN   )    0.000    0.000    3.730
assign (resid  43 and name HB1  ) (resid  44 and name HN   )    0.000    0.000    3.730
assign (resid  44 and name HN   ) (resid  44 and name HB1  )    0.000    0.000    3.020
assign (resid  44 and name HN   ) (resid  44 and name HB2  )    0.000    0.000    3.020
assign (resid  45 and name HB#  ) (resid  46 and name HN   )    0.000    0.000    4.550
assign (resid  46 and name HN   ) (resid  46 and name HB   )    0.000    0.000    2.900
assign (resid  48 and name HB1  ) (resid  49 and name HN   )    0.000    0.000    4.100
assign (resid  50 and name HN   ) (resid  50 and name HB2  )    0.000    0.000    2.960
assign (resid  50 and name HA   ) (resid  53 and name HB2  )    0.000    0.000    3.700
assign (resid  50 and name HN   ) (resid  50 and name HB1  )    0.000    0.000    2.960
assign (resid  52 and name HB2  ) (resid  53 and name HN   )    0.000    0.000    3.450
assign (resid  52 and name HN   ) (resid  52 and name HB2  )    0.000    0.000    2.930
assign (resid  53 and name HA   ) (resid  56 and name HB#  )    0.000    0.000    4.180
assign (resid  53 and name HA   ) (resid  56 and name HN   )    0.000    0.000    3.300
assign (resid  53 and name HN   ) (resid  53 and name HB2  )    0.000    0.000    3.300
assign (resid  53 and name HN   ) (resid  53 and name HB1  )    0.000    0.000    3.300
assign (resid   6 and name HN   ) (resid  55 and name HA   )    0.000    0.000    3.110
assign (resid  52 and name HA   ) (resid  55 and name HB#  )    0.000    0.000    4.110
assign (resid  55 and name HN   ) (resid  55 and name HB#  )    0.000    0.000    3.770
assign (resid  55 and name HB#  ) (resid  56 and name HN   )    0.000    0.000    3.960
assign (resid  57 and name HN   ) (resid  57 and name HB1  )    0.000    0.000    3.520
assign (resid  59 and name HN   ) (resid  59 and name HB2  )    0.000    0.000    3.450
assign (resid  59 and name HN   ) (resid  59 and name HB1  )    0.000    0.000    3.450
assign (resid  61 and name HN   ) (resid  61 and name HB1  )    0.000    0.000    3.390
assign (resid  63 and name HN   ) (resid  63 and name HB2  )    0.000    0.000    3.700
assign (resid  63 and name HB1  ) (resid  64 and name HN   )    0.000    0.000    4.350
assign (resid  64 and name HN   ) (resid  64 and name HB2  )    0.000    0.000    3.300
assign (resid  68 and name HN   ) (resid  68 and name HB2  )    0.000    0.000    3.170
assign (resid  69 and name HB2  ) (resid  70 and name HN   )    0.000    0.000    3.080
assign (resid  80 and name HN   ) (resid  80 and name HB2  )    0.000    0.000    3.580
assign (resid  71 and name HN   ) (resid  71 and name HA   )    0.000    0.000    2.930
assign (resid  72 and name HN   ) (resid  72 and name HB1  )    0.000    0.000    3.670
assign (resid  75 and name HN   ) (resid  75 and name HB#  )    0.000    0.000    3.900
assign (resid  73 and name HA   ) (resid  76 and name HB2  )    0.000    0.000    3.640
assign (resid  76 and name HN   ) (resid  76 and name HA   )    0.000    0.000    2.900
assign (resid  77 and name HN   ) (resid  77 and name HB1  )    0.000    0.000    3.920
assign (resid  78 and name HN   ) (resid  78 and name HA   )    0.000    0.000    2.620
assign (resid  79 and name HA   ) (resid  81 and name HN   )    0.000    0.000    3.550
assign (resid  79 and name HN   ) (resid  79 and name HB   )    0.000    0.000    2.990
assign (resid  80 and name HN   ) (resid  80 and name HB1  )    0.000    0.000    3.580
assign (resid  69 and name HN   ) (resid  69 and name HB1  )    0.000    0.000    3.300
assign (resid  82 and name HN   ) (resid  82 and name HB1  )    0.000    0.000    3.640
assign (resid  85 and name HN   ) (resid  85 and name HB2  )    0.000    0.000    3.420
assign (resid  86 and name HA   ) (resid  96 and name HA   )    0.000    0.000    3.020
assign (resid  86 and name HA   ) (resid  87 and name HN   )    0.000    0.000    2.550
assign (resid  86 and name HN   ) (resid  86 and name HB1  )    0.000    0.000    3.360
assign (resid  87 and name HN   ) (resid  87 and name HB2  )    0.000    0.000    3.300
assign (resid  87 and name HN   ) (resid  87 and name HB1  )    0.000    0.000    3.300
assign (resid  88 and name HA   ) (resid  93 and name HA   )    0.000    0.000    2.960
assign (resid  88 and name HA   ) (resid  94 and name HN   )    0.000    0.000    3.080
assign (resid  88 and name HB#  ) (resid  89 and name HN   )    0.000    0.000    4.390
assign (resid  89 and name HN   ) (resid  89 and name HB2  )    0.000    0.000    3.550
assign (resid  89 and name HA   ) (resid  90 and name HN   )    0.000    0.000    2.680
assign (resid  90 and name HN   ) (resid  90 and name HA   )    0.000    0.000    2.650
assign (resid  92 and name HB#  ) (resid  93 and name HN   )    0.000    0.000    4.610
assign (resid  93 and name HA   ) (resid  94 and name HN   )    0.000    0.000    2.550
assign (resid  94 and name HN   ) (resid  94 and name HB2  )    0.000    0.000    3.550
assign (resid  94 and name HN   ) (resid  94 and name HB1  )    0.000    0.000    3.550
assign (resid  95 and name HB1  ) (resid  96 and name HN   )    0.000    0.000    3.520
assign (resid  96 and name HB#  ) (resid  97 and name HN   )    0.000    0.000    4.700
assign (resid  98 and name HN   ) (resid  98 and name HB   )    0.000    0.000    2.900
assign (resid 101 and name HN   ) (resid 101 and name HB2  )    0.000    0.000    3.580
assign (resid 102 and name HN   ) (resid 102 and name HA   )    0.000    0.000    2.930
assign (resid 104 and name HN   ) (resid 104 and name HA   )    0.000    0.000    2.860
assign (resid 104 and name HN   ) (resid 104 and name HB#  )    0.000    0.000    3.930
assign (resid 104 and name HB#  ) (resid 105 and name HN   )    0.000    0.000    4.270
assign (resid 105 and name HB1  ) (resid 106 and name HN   )    0.000    0.000    3.360
assign (resid 105 and name HN   ) (resid 105 and name HB2  )    0.000    0.000    2.930
assign (resid 106 and name HA   ) (resid 109 and name HN   )    0.000    0.000    3.210
assign (resid 106 and name HA   ) (resid 107 and name HN   )    0.000    0.000    3.520
assign (resid 108 and name HN   ) (resid 108 and name HB   )    0.000    0.000    3.110
assign (resid 108 and name HA   ) (resid 111 and name HB1  )    0.000    0.000    3.420
assign (resid 109 and name HA   ) (resid 110 and name HN   )    0.000    0.000    3.610
assign (resid 106 and name HA   ) (resid 109 and name HB   )    0.000    0.000    3.170
assign (resid 109 and name HB   ) (resid 110 and name HN   )    0.000    0.000    2.900
assign (resid 109 and name HN   ) (resid 109 and name HB   )    0.000    0.000    2.770
assign (resid 111 and name HN   ) (resid 111 and name HA   )    0.000    0.000    2.830
assign (resid 108 and name HA   ) (resid 111 and name HB2  )    0.000    0.000    3.420
assign (resid 111 and name HN   ) (resid 111 and name HB1  )    0.000    0.000    2.960
assign (resid 111 and name HB2  ) (resid 112 and name HN   )    0.000    0.000    3.450
assign (resid 111 and name HN   ) (resid 111 and name HB2  )    0.000    0.000    2.960
assign (resid 112 and name HN   ) (resid 112 and name HB1  )    0.000    0.000    3.420
assign (resid 110 and name HA   ) (resid 113 and name HB1  )    0.000    0.000    3.860
assign (resid 110 and name HA   ) (resid 113 and name HB2  )    0.000    0.000    3.860
assign (resid  70 and name HN   ) (resid  70 and name HB2  )    0.000    0.000    3.270
assign (resid  70 and name HN   ) (resid  70 and name HB1  )    0.000    0.000    3.270
assign (resid  89 and name HN   ) (resid  89 and name HB1  )    0.000    0.000    3.550
assign (resid  88 and name HA   ) (resid  95 and name HN   )    0.000    0.000    3.550
assign (resid  62 and name HB1  ) (resid  63 and name HN   )    0.000    0.000    3.760
assign (resid  86 and name HB1  ) (resid  87 and name HN   )    0.000    0.000    4.200
assign (resid  72 and name HA   ) (resid  75 and name HB#  )    0.000    0.000    3.830
assign (resid  80 and name HB1  ) (resid  81 and name HN   )    0.000    0.000    4.380
assign (resid 104 and name HA   ) (resid 107 and name HN   )    0.000    0.000    3.140
assign (resid 108 and name HA   ) (resid 111 and name HN   )    0.000    0.000    3.520
assign (resid  84 and name HA   ) (resid  98 and name HA   )    0.000    0.000    2.590
assign (resid  30 and name HA   ) (resid  90 and name HA   )    0.000    0.000    3.170
assign (resid 108 and name HB   ) (resid 109 and name HN   )    0.000    0.000    3.480
assign (resid  22 and name HA   ) (resid  25 and name HB2  )    0.000    0.000    3.210
assign (resid  63 and name HN   ) (resid  63 and name HB1  )    0.000    0.000    3.700
assign (resid  49 and name HA   ) (resid  52 and name HB2  )    0.000    0.000    3.210
assign (resid  49 and name HA   ) (resid  52 and name HB1  )    0.000    0.000    3.210
assign (resid  50 and name HA   ) (resid  53 and name HB1  )    0.000    0.000    3.700
assign (resid  68 and name HB2  ) (resid  69 and name HN   )    0.000    0.000    3.640
assign (resid  68 and name HB1  ) (resid  69 and name HN   )    0.000    0.000    3.640
assign (resid  67 and name HA   ) (resid  70 and name HN   )    0.000    0.000    3.270
assign (resid  82 and name HB2  ) (resid  83 and name HA   )    0.000    0.000    3.860
assign (resid  82 and name HB1  ) (resid  83 and name HA   )    0.000    0.000    3.860
assign (resid   9 and name HA   ) (resid   9 and name HG11 )    0.000    0.000    3.610
assign (resid   9 and name HA   ) (resid   9 and name HG12 )    0.000    0.000    3.610
assign (resid  15 and name HA   ) (resid  15 and name HG2  )    0.000    0.000    3.860
assign (resid  15 and name HA   ) (resid  15 and name HG1  )    0.000    0.000    3.860
assign (resid  19 and name HA   ) (resid  19 and name HG2  )    0.000    0.000    4.200
assign (resid  21 and name HA   ) (resid  21 and name HG   )    0.000    0.000    3.450
assign (resid  23 and name HA   ) (resid  23 and name HD#  )    0.000    0.000    5.510
assign (resid  23 and name HA   ) (resid  23 and name HG1  )    0.000    0.000    4.010
assign (resid  23 and name HB#  ) (resid  23 and name HE#  )    0.000    0.000    7.250
assign (resid  28 and name HA   ) (resid  28 and name HG1  )    0.000    0.000    3.360
assign (resid  28 and name HA   ) (resid  28 and name HD#  )    0.000    0.000    5.570
assign (resid  28 and name HA   ) (resid  28 and name HG2  )    0.000    0.000    3.360
assign (resid  53 and name HA   ) (resid  53 and name HG   )    0.000    0.000    3.580
assign (resid  53 and name HB2  ) (resid  53 and name HG   )    0.000    0.000    2.930
assign (resid  53 and name HB1  ) (resid  53 and name HG   )    0.000    0.000    2.930
assign (resid  55 and name HA   ) (resid  55 and name HG2  )    0.000    0.000    3.700
assign (resid  55 and name HA   ) (resid  55 and name HD#  )    0.000    0.000    4.640
assign (resid  55 and name HA   ) (resid  55 and name HE#  )    0.000    0.000    6.380
assign (resid  55 and name HB#  ) (resid  55 and name HE#  )    0.000    0.000    7.040
assign (resid  56 and name HB#  ) (resid  56 and name HE#  )    0.000    0.000    7.250
assign (resid  56 and name HA   ) (resid  56 and name HD#  )    0.000    0.000    4.700
assign (resid  56 and name HA   ) (resid  56 and name HE#  )    0.000    0.000    6.380
assign (resid  64 and name HA   ) (resid  64 and name HE#  )    0.000    0.000    3.990
assign (resid  71 and name HA   ) (resid  71 and name HD#  )    0.000    0.000    6.380
assign (resid  71 and name HB#  ) (resid  71 and name HE#  )    0.000    0.000    7.250
assign (resid  71 and name HA   ) (resid  71 and name HE#  )    0.000    0.000    5.940
assign (resid  74 and name HA   ) (resid  79 and name HG12 )    0.000    0.000    4.320
assign (resid  89 and name HA   ) (resid  89 and name HG1  )    0.000    0.000    3.270
assign (resid  89 and name HA   ) (resid  89 and name HG2  )    0.000    0.000    3.270
assign (resid  89 and name HA   ) (resid  89 and name HE#  )    0.000    0.000    6.380
assign (resid  89 and name HA   ) (resid  89 and name HD#  )    0.000    0.000    6.220
assign (resid  90 and name HA   ) (resid  90 and name HG2  )    0.000    0.000    3.580
assign (resid  92 and name HA   ) (resid  92 and name HD#  )    0.000    0.000    5.260
assign (resid  92 and name HA   ) (resid  92 and name HE#  )    0.000    0.000    4.890
assign (resid  92 and name HB#  ) (resid  92 and name HE#  )    0.000    0.000    6.010
assign (resid  94 and name HA   ) (resid  94 and name HG   )    0.000    0.000    3.450
assign (resid  96 and name HA   ) (resid  96 and name HD#  )    0.000    0.000    6.380
assign (resid  96 and name HB#  ) (resid  96 and name HE#  )    0.000    0.000    6.420
assign (resid 101 and name HA   ) (resid 101 and name HD2  )    0.000    0.000    4.570
assign (resid 101 and name HA   ) (resid 101 and name HD1  )    0.000    0.000    4.570
assign (resid 101 and name HA   ) (resid 101 and name HG2  )    0.000    0.000    3.640
assign (resid 101 and name HG2  ) (resid 101 and name HD2  )    0.000    0.000    2.770
assign (resid 101 and name HG2  ) (resid 101 and name HD1  )    0.000    0.000    2.770
assign (resid 101 and name HA   ) (resid 101 and name HG1  )    0.000    0.000    3.640
assign (resid 101 and name HG1  ) (resid 101 and name HD2  )    0.000    0.000    2.770
assign (resid 101 and name HG1  ) (resid 101 and name HD1  )    0.000    0.000    2.770
assign (resid 101 and name HA   ) (resid 101 and name HE#  )    0.000    0.000    4.980
assign (resid 102 and name HA   ) (resid 102 and name HG2  )    0.000    0.000    3.610
assign (resid 102 and name HA   ) (resid 102 and name HG1  )    0.000    0.000    3.610
assign (resid 106 and name HA   ) (resid 106 and name HG2  )    0.000    0.000    4.040
assign (resid 109 and name HA   ) (resid 109 and name HG12 )    0.000    0.000    3.830
assign (resid 109 and name HA   ) (resid 109 and name HG11 )    0.000    0.000    3.830
assign (resid 111 and name HA   ) (resid 111 and name HG1  )    0.000    0.000    4.230
assign (resid 111 and name HA   ) (resid 111 and name HG2  )    0.000    0.000    4.230
assign (resid 113 and name HA   ) (resid 113 and name HG   )    0.000    0.000    3.640
assign (resid 113 and name HB2  ) (resid 113 and name HG   )    0.000    0.000    2.710
assign (resid 113 and name HB1  ) (resid 113 and name HG   )    0.000    0.000    2.710
assign (resid  28 and name HA   ) (resid  28 and name HE#  )    0.000    0.000    6.380
assign (resid  82 and name HA   ) (resid  82 and name HG2  )    0.000    0.000    3.170
assign (resid  82 and name HA   ) (resid  82 and name HG1  )    0.000    0.000    3.170
assign (resid  35 and name HA   ) (resid  65 and name HB   )    0.000    0.000    3.890
assign (resid  10 and name HA   ) (resid  64 and name HB2  )    0.000    0.000    4.010
assign (resid  10 and name HA   ) (resid  64 and name HB1  )    0.000    0.000    4.010
assign (resid  32 and name HB   ) (resid  62 and name HA   )    0.000    0.000    4.040
assign (resid   1 and name HG1  ) (resid   2 and name HN   )    0.000    0.000    5.500
assign (resid  18 and name HA   ) (resid  21 and name HG   )    0.000    0.000    4.040
assign (resid   9 and name HB   ) (resid  63 and name HA   )    0.000    0.000    4.140
assign (resid   9 and name HN   ) (resid   9 and name HG11 )    0.000    0.000    4.910
assign (resid  19 and name HA   ) (resid  19 and name HG1  )    0.000    0.000    4.200
assign (resid  20 and name HN   ) (resid  20 and name HG2  )    0.000    0.000    3.790
assign (resid  20 and name HN   ) (resid  20 and name HG1  )    0.000    0.000    3.790
assign (resid  21 and name HN   ) (resid  21 and name HG   )    0.000    0.000    3.330
assign (resid  22 and name HN   ) (resid  22 and name HG#  )    0.000    0.000    5.940
assign (resid  23 and name HA   ) (resid  23 and name HG2  )    0.000    0.000    4.010
assign (resid  26 and name HN   ) (resid  26 and name HG2  )    0.000    0.000    4.970
assign (resid  26 and name HN   ) (resid  26 and name HG1  )    0.000    0.000    4.970
assign (resid  28 and name HN   ) (resid  28 and name HG2  )    0.000    0.000    4.350
assign (resid  28 and name HN   ) (resid  28 and name HG1  )    0.000    0.000    4.350
assign (resid  39 and name HB2  ) (resid  39 and name HD1  )    0.000    0.000    3.580
assign (resid  42 and name HB2  ) (resid  45 and name HB#  )    0.000    0.000    6.130
assign (resid  42 and name HB1  ) (resid  45 and name HB#  )    0.000    0.000    6.130
assign (resid  42 and name HD1  ) (resid  43 and name HN   )    0.000    0.000    4.690
assign (resid  40 and name HB#  ) (resid  43 and name HB2  )    0.000    0.000    6.250
assign (resid  44 and name HA   ) (resid  44 and name HG1  )    0.000    0.000    3.830
assign (resid  44 and name HN   ) (resid  44 and name HG1  )    0.000    0.000    4.540
assign (resid  44 and name HA   ) (resid  44 and name HG2  )    0.000    0.000    3.830
assign (resid  46 and name HG1# ) (resid  49 and name HD#  )    0.000    0.000    8.500
assign (resid  48 and name HD2  ) (resid  49 and name HN   )    0.000    0.000    4.660
assign (resid  46 and name HG1# ) (resid  49 and name HB1  )    0.000    0.000    5.510
assign (resid  46 and name HG1# ) (resid  49 and name HB2  )    0.000    0.000    5.510
assign (resid  53 and name HB2  ) (resid  62 and name HE#  )    0.000    0.000    7.190
assign (resid  53 and name HN   ) (resid  53 and name HG   )    0.000    0.000    3.700
assign (resid  55 and name HN   ) (resid  55 and name HG2  )    0.000    0.000    5.440
assign (resid  55 and name HA   ) (resid  55 and name HG1  )    0.000    0.000    3.700
assign (resid  56 and name HN   ) (resid  56 and name HD#  )    0.000    0.000    6.380
assign (resid  57 and name HA   ) (resid  57 and name HG   )    0.000    0.000    4.230
assign (resid  57 and name HB2  ) (resid  62 and name HE#  )    0.000    0.000    6.290
assign (resid  57 and name HB2  ) (resid  62 and name HZ   )    0.000    0.000    4.290
assign (resid  57 and name HA   ) (resid  58 and name HD1  )    0.000    0.000    3.240
assign (resid  57 and name HA   ) (resid  58 and name HD2  )    0.000    0.000    2.830
assign (resid  60 and name HB   ) (resid  62 and name HD#  )    0.000    0.000    6.910
assign (resid  31 and name HA   ) (resid  61 and name HB2  )    0.000    0.000    4.790
assign (resid   8 and name HA   ) (resid  62 and name HB2  )    0.000    0.000    4.600
assign (resid  33 and name HA   ) (resid  63 and name HB2  )    0.000    0.000    4.790
assign (resid   9 and name HN   ) (resid  63 and name HG   )    0.000    0.000    3.550
assign (resid  66 and name HB2  ) (resid  69 and name HB1  )    0.000    0.000    6.040
assign (resid  66 and name HB2  ) (resid  69 and name HB2  )    0.000    0.000    6.040
assign (resid  69 and name HG#  ) (resid  70 and name HN   )    0.000    0.000    5.420
assign (resid  71 and name HN   ) (resid  71 and name HG#  )    0.000    0.000    5.170
assign (resid  69 and name HN   ) (resid  71 and name HG#  )    0.000    0.000    5.790
assign (resid  74 and name HA   ) (resid  79 and name HB   )    0.000    0.000    4.170
assign (resid  74 and name HA   ) (resid  79 and name HG11 )    0.000    0.000    4.320
assign (resid  79 and name HN   ) (resid  79 and name HG11 )    0.000    0.000    4.140
assign (resid  79 and name HN   ) (resid  79 and name HG12 )    0.000    0.000    4.140
assign (resid  80 and name HN   ) (resid  80 and name HG#  )    0.000    0.000    5.880
assign (resid  35 and name HN   ) (resid  84 and name HB   )    0.000    0.000    4.790
assign (resid  86 and name HG2  ) (resid  87 and name HN   )    0.000    0.000    4.510
assign (resid  86 and name HG1  ) (resid  87 and name HN   )    0.000    0.000    4.510
assign (resid  86 and name HG2  ) (resid  93 and name HG11 )    0.000    0.000    5.890
assign (resid  86 and name HG1  ) (resid  93 and name HG11 )    0.000    0.000    5.890
assign (resid  87 and name HB1  ) (resid  95 and name HB1  )    0.000    0.000    6.100
assign (resid  31 and name HN   ) (resid  88 and name HB#  )    0.000    0.000    6.130
assign (resid  88 and name HN   ) (resid  88 and name HG   )    0.000    0.000    4.010
assign (resid  89 and name HG2  ) (resid  90 and name HG2  )    0.000    0.000    5.140
assign (resid  89 and name HG2  ) (resid  90 and name HG1  )    0.000    0.000    5.140
assign (resid  90 and name HA   ) (resid  90 and name HG1  )    0.000    0.000    3.580
assign (resid  90 and name HN   ) (resid  90 and name HG1  )    0.000    0.000    4.660
assign (resid  90 and name HN   ) (resid  90 and name HG2  )    0.000    0.000    4.660
assign (resid  93 and name HA   ) (resid  93 and name HG12 )    0.000    0.000    3.860
assign (resid  93 and name HN   ) (resid  93 and name HG12 )    0.000    0.000    4.350
assign (resid  93 and name HA   ) (resid  93 and name HG11 )    0.000    0.000    3.860
assign (resid  93 and name HN   ) (resid  93 and name HG11 )    0.000    0.000    4.350
assign (resid  87 and name HB2  ) (resid  94 and name HB2  )    0.000    0.000    4.910
assign (resid  87 and name HB2  ) (resid  95 and name HB2  )    0.000    0.000    6.100
assign (resid  87 and name HB2  ) (resid  95 and name HB1  )    0.000    0.000    6.100
assign (resid  87 and name HD#  ) (resid  95 and name HB2  )    0.000    0.000    7.620
assign (resid 101 and name HN   ) (resid 101 and name HG2  )    0.000    0.000    4.320
assign (resid 102 and name HN   ) (resid 102 and name HG1  )    0.000    0.000    4.320
assign (resid 104 and name HG#  ) (resid 105 and name HN   )    0.000    0.000    6.160
assign (resid 106 and name HN   ) (resid 106 and name HG2  )    0.000    0.000    4.100
assign (resid  49 and name HD#  ) (resid 109 and name HG11 )    0.000    0.000    6.410
assign (resid  49 and name HD#  ) (resid 109 and name HG12 )    0.000    0.000    6.410
assign (resid 109 and name HN   ) (resid 109 and name HG12 )    0.000    0.000    4.290
assign (resid 110 and name HA   ) (resid 113 and name HG   )    0.000    0.000    4.570
assign (resid 106 and name HA   ) (resid 106 and name HG1  )    0.000    0.000    4.040
assign (resid 106 and name HN   ) (resid 106 and name HG1  )    0.000    0.000    4.100
assign (resid  32 and name HB   ) (resid  50 and name HD#  )    0.000    0.000    7.310
assign (resid  35 and name HE#  ) (resid  86 and name HB1  )    0.000    0.000    6.970
assign (resid  87 and name HB1  ) (resid  94 and name HB2  )    0.000    0.000    4.910
assign (resid  87 and name HB1  ) (resid  94 and name HB1  )    0.000    0.000    4.910
assign (resid  87 and name HB2  ) (resid  94 and name HB1  )    0.000    0.000    4.910
assign (resid  31 and name HA   ) (resid  61 and name HB1  )    0.000    0.000    4.790
assign (resid  46 and name HG1# ) (resid  85 and name HZ   )    0.000    0.000    5.630
assign (resid  46 and name HG1# ) (resid  49 and name HN   )    0.000    0.000    5.540
assign (resid  61 and name HN   ) (resid  61 and name HG   )    0.000    0.000    4.910
assign (resid   8 and name HA   ) (resid  62 and name HB1  )    0.000    0.000    4.600
assign (resid  70 and name HN   ) (resid  70 and name HG   )    0.000    0.000    4.200
assign (resid  24 and name HA   ) (resid  29 and name HB   )    0.000    0.000    3.520
assign (resid  57 and name HG   ) (resid  58 and name HD2  )    0.000    0.000    4.540
assign (resid  53 and name HB1  ) (resid  62 and name HE#  )    0.000    0.000    7.190
assign (resid  35 and name HE#  ) (resid  86 and name HG1  )    0.000    0.000    7.620
assign (resid  35 and name HE#  ) (resid  86 and name HG2  )    0.000    0.000    7.620
assign (resid 109 and name HA   ) (resid 112 and name HD2  )    0.000    0.000    4.480
assign (resid  89 and name HG2  ) (resid  90 and name HN   )    0.000    0.000    5.130
assign (resid  94 and name HB1  ) (resid 112 and name HE1  )    0.000    0.000    5.040
assign (resid  94 and name HG   ) (resid 112 and name HE1  )    0.000    0.000    5.500
assign (resid  45 and name HD#  ) (resid 102 and name HA   )    0.000    0.000    6.600
assign (resid  35 and name HE#  ) (resid  65 and name HB   )    0.000    0.000    7.560
assign (resid  84 and name HB   ) (resid  84 and name HG1  )    0.000    0.000    2.830
assign (resid  83 and name HG2  ) (resid  85 and name HZ   )    0.000    0.000    4.720
assign (resid  83 and name HG1  ) (resid  85 and name HZ   )    0.000    0.000    4.720
assign (resid  33 and name HA   ) (resid  63 and name HB1  )    0.000    0.000    4.790
assign (resid  40 and name HB#  ) (resid  43 and name HB1  )    0.000    0.000    6.250
assign (resid  82 and name HN   ) (resid  82 and name HG2  )    0.000    0.000    5.340
assign (resid  36 and name HA   ) (resid  82 and name HB2  )    0.000    0.000    5.070
assign (resid  36 and name HA   ) (resid  82 and name HB1  )    0.000    0.000    5.070
assign (resid   9 and name HA   ) (resid   9 and name HD1# )    0.000    0.000    3.770
assign (resid   9 and name HB   ) (resid   9 and name HD1# )    0.000    0.000    3.580
assign (resid  13 and name HA   ) (resid  13 and name HG2# )    0.000    0.000    3.520
assign (resid  16 and name HA   ) (resid  16 and name HG2# )    0.000    0.000    3.710
assign (resid  21 and name HA   ) (resid  21 and name HD1# )    0.000    0.000    5.100
assign (resid  21 and name HA   ) (resid  21 and name HD2# )    0.000    0.000    5.100
assign (resid  53 and name HA   ) (resid  53 and name HD1# )    0.000    0.000    5.230
assign (resid  53 and name HA   ) (resid  53 and name HD2# )    0.000    0.000    5.230
assign (resid  63 and name HA   ) (resid  63 and name HD1# )    0.000    0.000    5.350
assign (resid  63 and name HA   ) (resid  63 and name HD2# )    0.000    0.000    5.350
assign (resid  67 and name HA   ) (resid  67 and name HG2# )    0.000    0.000    3.640
assign (resid  88 and name HA   ) (resid  88 and name HD1# )    0.000    0.000    6.340
assign (resid  88 and name HA   ) (resid  88 and name HD2# )    0.000    0.000    6.340
assign (resid  93 and name HA   ) (resid  93 and name HD1# )    0.000    0.000    3.890
assign (resid  93 and name HB   ) (resid  93 and name HD1# )    0.000    0.000    3.520
assign (resid  94 and name HA   ) (resid  94 and name HD2# )    0.000    0.000    4.640
assign (resid  94 and name HA   ) (resid  94 and name HD1# )    0.000    0.000    4.640
assign (resid 105 and name HA   ) (resid 105 and name HD2# )    0.000    0.000    5.230
assign (resid 105 and name HA   ) (resid 105 and name HD1# )    0.000    0.000    5.230
assign (resid 109 and name HA   ) (resid 109 and name HD1# )    0.000    0.000    4.330
assign (resid 109 and name HG2# ) (resid 109 and name HD1# )    0.000    0.000    4.460
assign (resid 113 and name HA   ) (resid 113 and name HD1# )    0.000    0.000    3.710
assign (resid 113 and name HA   ) (resid 113 and name HD2# )    0.000    0.000    3.710
assign (resid  35 and name HD#  ) (resid  67 and name HG2# )    0.000    0.000    6.910
assign (resid  36 and name HN   ) (resid  67 and name HG2# )    0.000    0.000    4.510
assign (resid  24 and name HB#  ) (resid  31 and name HG1# )    0.000    0.000    6.220
assign (resid   8 and name HN   ) (resid   8 and name HG1# )    0.000    0.000    4.790
assign (resid   8 and name HN   ) (resid   8 and name HG2# )    0.000    0.000    4.790
assign (resid  31 and name HN   ) (resid  31 and name HG1# )    0.000    0.000    3.950
assign (resid   9 and name HG2# ) (resid  20 and name HE22 )    0.000    0.000    5.470
assign (resid   9 and name HG2# ) (resid  20 and name HE21 )    0.000    0.000    5.470
assign (resid   9 and name HA   ) (resid  10 and name HB#  )    0.000    0.000    5.260
assign (resid  11 and name HB2  ) (resid  70 and name HD2# )    0.000    0.000    8.430
assign (resid  11 and name HB1  ) (resid  70 and name HD2# )    0.000    0.000    8.430
assign (resid  12 and name HB1  ) (resid  13 and name HG2# )    0.000    0.000    5.380
assign (resid  17 and name HB1  ) (resid  70 and name HD1# )    0.000    0.000    8.120
assign (resid  17 and name HB2  ) (resid  70 and name HD1# )    0.000    0.000    8.120
assign (resid  20 and name HB1  ) (resid  63 and name HD1# )    0.000    0.000    8.150
assign (resid  20 and name HB2  ) (resid  63 and name HD1# )    0.000    0.000    8.150
assign (resid  17 and name HZ2  ) (resid  21 and name HD1# )    0.000    0.000    5.320
assign (resid  73 and name HG2# ) (resid  77 and name HD1  )    0.000    0.000    5.720
assign (resid  17 and name HZ2  ) (resid  21 and name HD2# )    0.000    0.000    5.320
assign (resid  17 and name HZ3  ) (resid  33 and name HG2# )    0.000    0.000    5.260
assign (resid  46 and name HG2# ) (resid 100 and name HA   )    0.000    0.000    4.390
assign (resid  46 and name HG2# ) (resid  47 and name HN   )    0.000    0.000    4.540
assign (resid  24 and name HB#  ) (resid  29 and name HB   )    0.000    0.000    4.790
assign (resid  21 and name HA   ) (resid  24 and name HB#  )    0.000    0.000    4.330
assign (resid  29 and name HG2# ) (resid  61 and name HN   )    0.000    0.000    4.510
assign (resid  29 and name HG2# ) (resid  30 and name HN   )    0.000    0.000    4.570
assign (resid  30 and name HA   ) (resid  30 and name HD2# )    0.000    0.000    5.040
assign (resid  30 and name HA   ) (resid  30 and name HD1# )    0.000    0.000    5.040
assign (resid  30 and name HB2  ) (resid  60 and name HG2# )    0.000    0.000    8.070
assign (resid  30 and name HB1  ) (resid  60 and name HG2# )    0.000    0.000    8.070
assign (resid  30 and name HD1# ) (resid  60 and name HG2# )    0.000    0.000    9.370
assign (resid  30 and name HD2# ) (resid  60 and name HG2# )    0.000    0.000    9.370
assign (resid  24 and name HB#  ) (resid  31 and name HG2# )    0.000    0.000    6.220
assign (resid  32 and name HG2# ) (resid  33 and name HN   )    0.000    0.000    5.230
assign (resid  35 and name HB2  ) (resid  67 and name HG2# )    0.000    0.000    5.040
assign (resid  36 and name HG2# ) (resid  66 and name HA   )    0.000    0.000    4.420
assign (resid  37 and name HB#  ) (resid  40 and name HB#  )    0.000    0.000    6.320
assign (resid  46 and name HD1# ) (resid 100 and name HB#  )    0.000    0.000    6.130
assign (resid  46 and name HD1# ) (resid 102 and name HA   )    0.000    0.000    4.170
assign (resid  46 and name HD1# ) (resid 100 and name HA   )    0.000    0.000    4.020
assign (resid  46 and name HD1# ) (resid  47 and name HN   )    0.000    0.000    5.130
assign (resid  46 and name HN   ) (resid  46 and name HD1# )    0.000    0.000    4.670
assign (resid  47 and name HB#  ) (resid  48 and name HD1  )    0.000    0.000    4.170
assign (resid  47 and name HB#  ) (resid  48 and name HD2  )    0.000    0.000    4.170
assign (resid  51 and name HA   ) (resid  54 and name HB#  )    0.000    0.000    4.390
assign (resid  71 and name HA   ) (resid  74 and name HB#  )    0.000    0.000    4.300
assign (resid  74 and name HB#  ) (resid  75 and name HN   )    0.000    0.000    4.300
assign (resid  51 and name HB#  ) (resid  52 and name HN   )    0.000    0.000    4.200
assign (resid  53 and name HN   ) (resid  53 and name HD1# )    0.000    0.000    5.500
assign (resid   8 and name HA   ) (resid  54 and name HB#  )    0.000    0.000    4.950
assign (resid   7 and name HA   ) (resid  54 and name HB#  )    0.000    0.000    4.020
assign (resid  54 and name HB#  ) (resid  62 and name HB2  )    0.000    0.000    4.820
assign (resid   8 and name HG2# ) (resid  62 and name HB1  )    0.000    0.000    6.820
assign (resid  54 and name HB#  ) (resid  62 and name HB1  )    0.000    0.000    4.820
assign (resid  63 and name HN   ) (resid  63 and name HD2# )    0.000    0.000    6.530
assign (resid  79 and name HA   ) (resid  79 and name HD1# )    0.000    0.000    3.800
assign (resid  79 and name HG2# ) (resid  81 and name HN   )    0.000    0.000    4.790
assign (resid  79 and name HG2# ) (resid  80 and name HN   )    0.000    0.000    4.820
assign (resid  35 and name HB2  ) (resid  79 and name HG2# )    0.000    0.000    4.950
assign (resid  35 and name HB1  ) (resid  79 and name HG2# )    0.000    0.000    4.950
assign (resid  74 and name HB#  ) (resid  79 and name HG2# )    0.000    0.000    6.630
assign (resid  77 and name HB1  ) (resid  79 and name HD1# )    0.000    0.000    5.160
assign (resid  35 and name HD#  ) (resid  79 and name HD1# )    0.000    0.000    7.350
assign (resid  83 and name HD2  ) (resid 100 and name HB#  )    0.000    0.000    5.100
assign (resid  83 and name HD1  ) (resid 100 and name HB#  )    0.000    0.000    5.100
assign (resid  79 and name HG2# ) (resid  84 and name HB   )    0.000    0.000    4.390
assign (resid  79 and name HD1# ) (resid  84 and name HB   )    0.000    0.000    4.880
assign (resid  84 and name HG2# ) (resid  85 and name HN   )    0.000    0.000    4.140
assign (resid  53 and name HD1# ) (resid  85 and name HB1  )    0.000    0.000    8.610
assign (resid  32 and name HG1# ) (resid  85 and name HB1  )    0.000    0.000    8.780
assign (resid  85 and name HB2  ) (resid  97 and name HG2# )    0.000    0.000    8.470
assign (resid  79 and name HD1# ) (resid  84 and name HG2# )    0.000    0.000    6.040
assign (resid  79 and name HD1# ) (resid  86 and name HB2  )    0.000    0.000    5.290
assign (resid  79 and name HD1# ) (resid  86 and name HB1  )    0.000    0.000    5.290
assign (resid  77 and name HH2  ) (resid  88 and name HD1# )    0.000    0.000    5.630
assign (resid  89 and name HB2  ) (resid  94 and name HD1# )    0.000    0.000    5.390
assign (resid  30 and name HD2# ) (resid  89 and name HB2  )    0.000    0.000    7.090
assign (resid  93 and name HG2# ) (resid  95 and name HN   )    0.000    0.000    4.670
assign (resid  93 and name HG2# ) (resid  94 and name HN   )    0.000    0.000    4.610
assign (resid  88 and name HD1# ) (resid  93 and name HG12 )    0.000    0.000    8.120
assign (resid  88 and name HD1# ) (resid  93 and name HG11 )    0.000    0.000    8.120
assign (resid  93 and name HN   ) (resid  93 and name HD1# )    0.000    0.000    5.160
assign (resid  93 and name HN   ) (resid  93 and name HG2# )    0.000    0.000    4.790
assign (resid  89 and name HB2  ) (resid  94 and name HD2# )    0.000    0.000    5.390
assign (resid  95 and name HB2  ) (resid 108 and name HG2# )    0.000    0.000    4.570
assign (resid  46 and name HD1# ) (resid 102 and name HE#  )    0.000    0.000    6.600
assign (resid  49 and name HD#  ) (resid 105 and name HD1# )    0.000    0.000    7.660
assign (resid  49 and name HE#  ) (resid 105 and name HD2# )    0.000    0.000    8.430
assign (resid 106 and name HA   ) (resid 109 and name HD1# )    0.000    0.000    4.300
assign (resid 105 and name HD2# ) (resid 106 and name HG2  )    0.000    0.000    8.300
assign (resid 107 and name HA   ) (resid 110 and name HB#  )    0.000    0.000    4.200
assign (resid  95 and name HB1  ) (resid 108 and name HG2# )    0.000    0.000    4.570
assign (resid 108 and name HG2# ) (resid 109 and name HA   )    0.000    0.000    5.010
assign (resid 109 and name HG2# ) (resid 110 and name HA   )    0.000    0.000    4.760
assign (resid 109 and name HG2# ) (resid 110 and name HN   )    0.000    0.000    4.610
assign (resid 105 and name HD2# ) (resid 109 and name HG12 )    0.000    0.000    8.460
assign (resid 105 and name HD2# ) (resid 109 and name HG11 )    0.000    0.000    8.460
assign (resid 109 and name HN   ) (resid 109 and name HD1# )    0.000    0.000    4.920
assign (resid  89 and name HB1  ) (resid  94 and name HD1# )    0.000    0.000    5.390
assign (resid 105 and name HD2# ) (resid 106 and name HG1  )    0.000    0.000    8.300
assign (resid  77 and name HB2  ) (resid  79 and name HD1# )    0.000    0.000    5.160
assign (resid  30 and name HD2# ) (resid  89 and name HB1  )    0.000    0.000    7.090
assign (resid  31 and name HG2# ) (resid  61 and name HB2  )    0.000    0.000    8.620
assign (resid  31 and name HG2# ) (resid  61 and name HB1  )    0.000    0.000    8.620
assign (resid  33 and name HG2# ) (resid  63 and name HB1  )    0.000    0.000    6.080
assign (resid  33 and name HG2# ) (resid  63 and name HB2  )    0.000    0.000    6.080
assign (resid   8 and name HG2# ) (resid  62 and name HB2  )    0.000    0.000    6.820
assign (resid  46 and name HD1# ) (resid  49 and name HD#  )    0.000    0.000    7.380
assign (resid  30 and name HD1# ) (resid  87 and name HD#  )    0.000    0.000    8.000
assign (resid  30 and name HD2# ) (resid  87 and name HD#  )    0.000    0.000    8.000
assign (resid   8 and name HG2# ) (resid  50 and name HD#  )    0.000    0.000    6.790
assign (resid  11 and name HB2  ) (resid  65 and name HG2# )    0.000    0.000    8.070
assign (resid  11 and name HB1  ) (resid  65 and name HG2# )    0.000    0.000    8.070
assign (resid  12 and name HB2  ) (resid  13 and name HG2# )    0.000    0.000    5.380
assign (resid  65 and name HG2# ) (resid  70 and name HB2  )    0.000    0.000    6.760
assign (resid  65 and name HG1# ) (resid  70 and name HB1  )    0.000    0.000    6.760
assign (resid  65 and name HG1# ) (resid  70 and name HB2  )    0.000    0.000    6.760
assign (resid  65 and name HG2# ) (resid  66 and name HN   )    0.000    0.000    5.660
assign (resid  35 and name HE#  ) (resid  79 and name HD1# )    0.000    0.000    7.220
assign (resid  14 and name HG2# ) (resid  18 and name HD21 )    0.000    0.000    7.690
assign (resid  14 and name HG2# ) (resid  18 and name HD22 )    0.000    0.000    7.690
assign (resid  77 and name HE3  ) (resid  93 and name HD1# )    0.000    0.000    4.920
assign (resid 108 and name HG2# ) (resid 111 and name HD2  )    0.000    0.000    6.280
assign (resid 108 and name HG2# ) (resid 111 and name HD1  )    0.000    0.000    6.280
assign (resid  43 and name HA   ) (resid  46 and name HG2# )    0.000    0.000    4.080
assign (resid  43 and name HA   ) (resid  46 and name HD1# )    0.000    0.000    5.470
assign (resid  37 and name HB#  ) (resid  39 and name HE1  )    0.000    0.000    4.760
assign (resid  33 and name HG1# ) (resid  63 and name HB1  )    0.000    0.000    6.080
assign (resid  36 and name HG2# ) (resid  64 and name HE#  )    0.000    0.000    6.230
assign (resid   8 and name HG1# ) (resid  62 and name HB1  )    0.000    0.000    6.820
assign (resid  17 and name HE1  ) (resid  73 and name HG1# )    0.000    0.000    5.100
assign (resid 108 and name HG2# ) (resid 112 and name HN   )    0.000    0.000    4.700
assign (resid  54 and name HB#  ) (resid  57 and name HN   )    0.000    0.000    5.810
assign (resid  32 and name HG2# ) (resid 109 and name HG12 )    0.000    0.000    8.840
assign (resid  32 and name HG2# ) (resid 109 and name HG11 )    0.000    0.000    8.840
assign (resid  50 and name HD#  ) (resid  53 and name HD1# )    0.000    0.000    8.460
assign (resid  37 and name HN   ) (resid  82 and name HE#  )    0.000    0.000    5.320
assign (resid  36 and name HG2# ) (resid  37 and name HN   )    0.000    0.000    5.290
assign (resid  85 and name HB1  ) (resid  97 and name HG2# )    0.000    0.000    8.470
assign (resid  53 and name HD1# ) (resid  85 and name HB2  )    0.000    0.000    8.610
assign (resid  32 and name HG1# ) (resid  85 and name HB2  )    0.000    0.000    8.780
assign (resid  79 and name HG2# ) (resid  82 and name HG1  )    0.000    0.000    4.850
assign (resid  79 and name HG2# ) (resid  82 and name HG2  )    0.000    0.000    4.850
assign (resid  67 and name HG2# ) (resid  82 and name HG2  )    0.000    0.000    5.320
assign (resid  67 and name HG2# ) (resid  82 and name HG1  )    0.000    0.000    5.320
assign (resid  35 and name HB1  ) (resid  67 and name HG2# )    0.000    0.000    5.040
assign (resid  79 and name HG2# ) (resid  84 and name HG1  )    0.000    0.000    4.700
assign (resid  36 and name HA   ) (resid  82 and name HE#  )    0.000    0.000    5.810
assign (resid   7 and name HA   ) (resid   8 and name HN   )    0.000    0.000    2.430
assign (resid   3 and name HA   ) (resid   4 and name HN   )    0.000    0.000    2.860
assign (resid   9 and name HN   ) (resid  63 and name HA   )    0.000    0.000    3.730
assign (resid   9 and name HA   ) (resid  10 and name HN   )    0.000    0.000    2.400
assign (resid  49 and name HA   ) (resid  52 and name HN   )    0.000    0.000    3.920
assign (resid  12 and name HN   ) (resid  13 and name HN   )    0.000    0.000    3.550
assign (resid  13 and name HN   ) (resid  16 and name HN   )    0.000    0.000    4.420
assign (resid  14 and name HN   ) (resid  15 and name HN   )    0.000    0.000    3.390
assign (resid  15 and name HN   ) (resid  16 and name HN   )    0.000    0.000    3.550
assign (resid  16 and name HN   ) (resid  17 and name HN   )    0.000    0.000    3.330
assign (resid  13 and name HN   ) (resid  17 and name HN   )    0.000    0.000    4.100
assign (resid  17 and name HN   ) (resid  18 and name HN   )    0.000    0.000    3.550
assign (resid  18 and name HN   ) (resid  19 and name HN   )    0.000    0.000    3.550
assign (resid  16 and name HB   ) (resid  17 and name HN   )    0.000    0.000    3.420
assign (resid  16 and name HN   ) (resid  16 and name HB   )    0.000    0.000    3.020
assign (resid  13 and name HB   ) (resid  15 and name HN   )    0.000    0.000    3.640
assign (resid  20 and name HN   ) (resid  21 and name HN   )    0.000    0.000    3.390
assign (resid  17 and name HA   ) (resid  20 and name HN   )    0.000    0.000    4.320
assign (resid  23 and name HN   ) (resid  24 and name HN   )    0.000    0.000    3.140
assign (resid  25 and name HN   ) (resid  26 and name HN   )    0.000    0.000    3.390
assign (resid  26 and name HN   ) (resid  27 and name HN   )    0.000    0.000    3.330
assign (resid  28 and name HN   ) (resid  29 and name HN   )    0.000    0.000    3.390
assign (resid  30 and name HA   ) (resid  31 and name HN   )    0.000    0.000    3.140
assign (resid  31 and name HN   ) (resid  88 and name HN   )    0.000    0.000    3.980
assign (resid  32 and name HN   ) (resid  62 and name HA   )    0.000    0.000    4.230
assign (resid  31 and name HA   ) (resid  32 and name HN   )    0.000    0.000    2.680
assign (resid  34 and name HN   ) (resid  64 and name HA   )    0.000    0.000    3.730
assign (resid  33 and name HA   ) (resid  34 and name HN   )    0.000    0.000    3.360
assign (resid  35 and name HN   ) (resid  85 and name HA   )    0.000    0.000    4.630
assign (resid  34 and name HA   ) (resid  35 and name HN   )    0.000    0.000    2.650
assign (resid  36 and name HN   ) (resid  66 and name HA   )    0.000    0.000    4.070
assign (resid  35 and name HA   ) (resid  36 and name HN   )    0.000    0.000    3.270
assign (resid  36 and name HN   ) (resid  67 and name HN   )    0.000    0.000    4.720
assign (resid  36 and name HA   ) (resid  37 and name HN   )    0.000    0.000    3.420
assign (resid  38 and name HN   ) (resid  39 and name HN   )    0.000    0.000    3.730
assign (resid  37 and name HA   ) (resid  38 and name HN   )    0.000    0.000    3.210
assign (resid  43 and name HN   ) (resid  44 and name HN   )    0.000    0.000    3.580
assign (resid  45 and name HN   ) (resid  46 and name HN   )    0.000    0.000    3.760
assign (resid  50 and name HN   ) (resid  51 and name HN   )    0.000    0.000    3.520
assign (resid  48 and name HA   ) (resid  51 and name HN   )    0.000    0.000    4.010
assign (resid  53 and name HN   ) (resid  54 and name HN   )    0.000    0.000    3.420
assign (resid  54 and name HN   ) (resid  55 and name HN   )    0.000    0.000    3.480
assign (resid  55 and name HN   ) (resid  56 and name HN   )    0.000    0.000    3.270
assign (resid  52 and name HA   ) (resid  55 and name HN   )    0.000    0.000    3.300
assign (resid  59 and name HN   ) (resid  60 and name HN   )    0.000    0.000    3.390
assign (resid  60 and name HA   ) (resid  61 and name HN   )    0.000    0.000    2.650
assign (resid  31 and name HA   ) (resid  61 and name HN   )    0.000    0.000    4.070
assign (resid  32 and name HN   ) (resid  61 and name HN   )    0.000    0.000    4.600
assign (resid  61 and name HA   ) (resid  62 and name HN   )    0.000    0.000    3.580
assign (resid  62 and name HA   ) (resid  63 and name HN   )    0.000    0.000    2.430
assign (resid  33 and name HA   ) (resid  63 and name HN   )    0.000    0.000    4.350
assign (resid  11 and name HN   ) (resid  64 and name HN   )    0.000    0.000    4.010
assign (resid  63 and name HA   ) (resid  64 and name HN   )    0.000    0.000    2.650
assign (resid  10 and name HA   ) (resid  64 and name HN   )    0.000    0.000    3.760
assign (resid  64 and name HA   ) (resid  65 and name HN   )    0.000    0.000    3.080
assign (resid  97 and name HA   ) (resid  98 and name HN   )    0.000    0.000    3.080
assign (resid  67 and name HN   ) (resid  68 and name HN   )    0.000    0.000    3.670
assign (resid  68 and name HN   ) (resid  69 and name HN   )    0.000    0.000    2.990
assign (resid  66 and name HA   ) (resid  67 and name HN   )    0.000    0.000    3.020
assign (resid  37 and name HA   ) (resid  67 and name HN   )    0.000    0.000    4.450
assign (resid  70 and name HN   ) (resid  71 and name HN   )    0.000    0.000    3.950
assign (resid  70 and name HA   ) (resid  71 and name HN   )    0.000    0.000    3.360
assign (resid  72 and name HN   ) (resid  73 and name HN   )    0.000    0.000    3.520
assign (resid  71 and name HN   ) (resid  72 and name HN   )    0.000    0.000    3.420
assign (resid  74 and name HN   ) (resid  75 and name HN   )    0.000    0.000    3.390
assign (resid  73 and name HN   ) (resid  74 and name HN   )    0.000    0.000    3.210
assign (resid  71 and name HA   ) (resid  74 and name HN   )    0.000    0.000    4.170
assign (resid  72 and name HN   ) (resid  74 and name HN   )    0.000    0.000    4.570
assign (resid  75 and name HN   ) (resid  76 and name HN   )    0.000    0.000    3.420
assign (resid  76 and name HN   ) (resid  77 and name HN   )    0.000    0.000    3.480
assign (resid  77 and name HN   ) (resid  77 and name HA   )    0.000    0.000    2.800
assign (resid  75 and name HA   ) (resid  79 and name HN   )    0.000    0.000    4.350
assign (resid  80 and name HN   ) (resid  81 and name HN   )    0.000    0.000    3.140
assign (resid  81 and name HA   ) (resid  82 and name HN   )    0.000    0.000    3.140
assign (resid  35 and name HN   ) (resid  84 and name HN   )    0.000    0.000    4.170
assign (resid  83 and name HA   ) (resid  84 and name HN   )    0.000    0.000    3.300
assign (resid  82 and name HA   ) (resid  84 and name HN   )    0.000    0.000    3.790
assign (resid  84 and name HA   ) (resid  85 and name HN   )    0.000    0.000    2.400
assign (resid  85 and name HA   ) (resid  86 and name HN   )    0.000    0.000    2.590
assign (resid  87 and name HN   ) (resid  96 and name HA   )    0.000    0.000    3.360
assign (resid  87 and name HA   ) (resid  88 and name HN   )    0.000    0.000    2.490
assign (resid  32 and name HA   ) (resid  88 and name HN   )    0.000    0.000    4.450
assign (resid  88 and name HA   ) (resid  89 and name HN   )    0.000    0.000    2.550
assign (resid  91 and name HN   ) (resid  92 and name HN   )    0.000    0.000    3.610
assign (resid  90 and name HN   ) (resid  91 and name HN   )    0.000    0.000    4.010
assign (resid  89 and name HA   ) (resid  91 and name HN   )    0.000    0.000    4.760
assign (resid  92 and name HA   ) (resid  93 and name HN   )    0.000    0.000    2.520
assign (resid  87 and name HN   ) (resid  95 and name HN   )    0.000    0.000    3.980
assign (resid  95 and name HA   ) (resid  96 and name HN   )    0.000    0.000    3.360
assign (resid  96 and name HA   ) (resid  97 and name HN   )    0.000    0.000    2.520
assign (resid  99 and name HA2  ) (resid 100 and name HN   )    0.000    0.000    3.550
assign (resid 100 and name HA   ) (resid 101 and name HN   )    0.000    0.000    2.990
assign (resid 101 and name HA   ) (resid 102 and name HN   )    0.000    0.000    2.960
assign (resid 103 and name HN   ) (resid 104 and name HN   )    0.000    0.000    3.110
assign (resid 101 and name HA   ) (resid 103 and name HN   )    0.000    0.000    4.320
assign (resid 105 and name HN   ) (resid 106 and name HN   )    0.000    0.000    3.020
assign (resid 106 and name HN   ) (resid 107 and name HN   )    0.000    0.000    2.960
assign (resid 103 and name HA   ) (resid 106 and name HN   )    0.000    0.000    4.350
assign (resid 109 and name HN   ) (resid 110 and name HN   )    0.000    0.000    3.390
assign (resid 111 and name HN   ) (resid 112 and name HN   )    0.000    0.000    3.270
assign (resid 112 and name HN   ) (resid 113 and name HN   )    0.000    0.000    2.990
assign (resid 113 and name HA   ) (resid 114 and name HN   )    0.000    0.000    2.860
assign (resid 110 and name HA   ) (resid 113 and name HN   )    0.000    0.000    2.900
assign (resid 113 and name HN   ) (resid 113 and name HB2  )    0.000    0.000    3.080
assign (resid 109 and name HA   ) (resid 112 and name HN   )    0.000    0.000    4.200
assign (resid 112 and name HN   ) (resid 112 and name HB2  )    0.000    0.000    3.420
assign (resid 111 and name HB1  ) (resid 112 and name HN   )    0.000    0.000    3.450
assign (resid 105 and name HB2  ) (resid 106 and name HN   )    0.000    0.000    3.360
assign (resid 102 and name HA   ) (resid 105 and name HN   )    0.000    0.000    4.350
assign (resid 105 and name HN   ) (resid 105 and name HB1  )    0.000    0.000    2.930
assign (resid  93 and name HN   ) (resid  93 and name HB   )    0.000    0.000    2.800
assign (resid  95 and name HN   ) (resid  95 and name HB2  )    0.000    0.000    3.700
assign (resid  95 and name HN   ) (resid  95 and name HB1  )    0.000    0.000    3.700
assign (resid  95 and name HB2  ) (resid  96 and name HN   )    0.000    0.000    3.520
assign (resid  97 and name HN   ) (resid  97 and name HB   )    0.000    0.000    3.020
assign (resid  66 and name HN   ) (resid  66 and name HB2  )    0.000    0.000    3.140
assign (resid  66 and name HN   ) (resid  66 and name HB1  )    0.000    0.000    3.140
assign (resid  99 and name HA1  ) (resid 100 and name HN   )    0.000    0.000    3.550
assign (resid 101 and name HN   ) (resid 101 and name HB1  )    0.000    0.000    3.580
assign (resid 102 and name HN   ) (resid 102 and name HB2  )    0.000    0.000    3.240
assign (resid 102 and name HB2  ) (resid 103 and name HN   )    0.000    0.000    3.920
assign (resid 102 and name HB1  ) (resid 103 and name HN   )    0.000    0.000    3.920
assign (resid  90 and name HA   ) (resid  91 and name HN   )    0.000    0.000    2.990
assign (resid  86 and name HB2  ) (resid  87 and name HN   )    0.000    0.000    4.200
assign (resid  86 and name HN   ) (resid  86 and name HB2  )    0.000    0.000    3.360
assign (resid  85 and name HN   ) (resid  85 and name HB1  )    0.000    0.000    3.420
assign (resid  84 and name HN   ) (resid  84 and name HB   )    0.000    0.000    3.270
assign (resid  83 and name HB2  ) (resid  84 and name HN   )    0.000    0.000    3.890
assign (resid  83 and name HB1  ) (resid  84 and name HN   )    0.000    0.000    3.890
assign (resid  82 and name HN   ) (resid  82 and name HB2  )    0.000    0.000    3.640
assign (resid  80 and name HB2  ) (resid  81 and name HN   )    0.000    0.000    4.380
assign (resid  79 and name HA   ) (resid  80 and name HN   )    0.000    0.000    2.680
assign (resid  78 and name HA   ) (resid  79 and name HN   )    0.000    0.000    3.390
assign (resid  77 and name HN   ) (resid  77 and name HB2  )    0.000    0.000    3.920
assign (resid  75 and name HB#  ) (resid  76 and name HN   )    0.000    0.000    4.360
assign (resid  73 and name HA   ) (resid  76 and name HN   )    0.000    0.000    3.610
assign (resid  76 and name HN   ) (resid  76 and name HB2  )    0.000    0.000    3.300
assign (resid  76 and name HN   ) (resid  76 and name HB1  )    0.000    0.000    3.300
assign (resid  73 and name HB   ) (resid  74 and name HN   )    0.000    0.000    2.960
assign (resid  73 and name HN   ) (resid  73 and name HB   )    0.000    0.000    2.900
assign (resid  72 and name HN   ) (resid  72 and name HB2  )    0.000    0.000    3.670
assign (resid  71 and name HB#  ) (resid  72 and name HN   )    0.000    0.000    4.980
assign (resid  71 and name HN   ) (resid  71 and name HB#  )    0.000    0.000    3.870
assign (resid  69 and name HN   ) (resid  69 and name HB2  )    0.000    0.000    3.300
assign (resid  68 and name HN   ) (resid  68 and name HB1  )    0.000    0.000    3.170
assign (resid  66 and name HA   ) (resid  68 and name HN   )    0.000    0.000    4.350
assign (resid  66 and name HB2  ) (resid  67 and name HN   )    0.000    0.000    4.850
assign (resid  66 and name HB1  ) (resid  67 and name HN   )    0.000    0.000    4.850
assign (resid  65 and name HN   ) (resid  65 and name HB   )    0.000    0.000    2.930
assign (resid  64 and name HN   ) (resid  64 and name HB1  )    0.000    0.000    3.300
assign (resid  63 and name HB2  ) (resid  64 and name HN   )    0.000    0.000    4.350
assign (resid  60 and name HB   ) (resid  61 and name HN   )    0.000    0.000    4.450
assign (resid  61 and name HN   ) (resid  61 and name HB2  )    0.000    0.000    3.390
assign (resid  60 and name HN   ) (resid  60 and name HB   )    0.000    0.000    2.900
assign (resid  57 and name HA   ) (resid  59 and name HN   )    0.000    0.000    4.760
assign (resid  54 and name HA   ) (resid  57 and name HN   )    0.000    0.000    3.670
assign (resid  57 and name HN   ) (resid  57 and name HB2  )    0.000    0.000    3.520
assign (resid  56 and name HB#  ) (resid  57 and name HN   )    0.000    0.000    5.070
assign (resid  55 and name HA   ) (resid  56 and name HN   )    0.000    0.000    3.450
assign (resid  51 and name HA   ) (resid  54 and name HN   )    0.000    0.000    3.640
assign (resid  53 and name HB2  ) (resid  54 and name HN   )    0.000    0.000    3.700
assign (resid  53 and name HB1  ) (resid  54 and name HN   )    0.000    0.000    3.700
assign (resid  50 and name HA   ) (resid  53 and name HN   )    0.000    0.000    4.140
assign (resid  52 and name HB1  ) (resid  53 and name HN   )    0.000    0.000    3.450
assign (resid  52 and name HN   ) (resid  52 and name HB1  )    0.000    0.000    2.930
assign (resid  50 and name HA   ) (resid  51 and name HN   )    0.000    0.000    3.480
assign (resid  50 and name HB2  ) (resid  51 and name HN   )    0.000    0.000    4.170
assign (resid  50 and name HB1  ) (resid  51 and name HN   )    0.000    0.000    4.170
assign (resid  49 and name HN   ) (resid  49 and name HB2  )    0.000    0.000    3.270
assign (resid  49 and name HN   ) (resid  49 and name HB1  )    0.000    0.000    3.270
assign (resid  48 and name HB2  ) (resid  49 and name HN   )    0.000    0.000    4.100
assign (resid  46 and name HB   ) (resid  47 and name HN   )    0.000    0.000    4.290
assign (resid  38 and name HA   ) (resid  39 and name HN   )    0.000    0.000    3.520
assign (resid  37 and name HN   ) (resid  40 and name HB#  )    0.000    0.000    5.380
assign (resid  43 and name HN   ) (resid  43 and name HB1  )    0.000    0.000    3.890
assign (resid  21 and name HN   ) (resid  22 and name HN   )    0.000    0.000    3.270
assign (resid  20 and name HB2  ) (resid  21 and name HN   )    0.000    0.000    3.580
assign (resid  20 and name HB1  ) (resid  21 and name HN   )    0.000    0.000    3.580
assign (resid  44 and name HN   ) (resid  44 and name HA   )    0.000    0.000    2.860
assign (resid  33 and name HN   ) (resid  87 and name HA   )    0.000    0.000    4.660
assign (resid  32 and name HB   ) (resid  33 and name HN   )    0.000    0.000    4.660
assign (resid  31 and name HB   ) (resid  32 and name HN   )    0.000    0.000    4.380
assign (resid  30 and name HN   ) (resid  60 and name HA   )    0.000    0.000    4.660
assign (resid  29 and name HB   ) (resid  30 and name HN   )    0.000    0.000    3.480
assign (resid  30 and name HN   ) (resid  30 and name HB2  )    0.000    0.000    3.110
assign (resid  30 and name HN   ) (resid  30 and name HB1  )    0.000    0.000    3.110
assign (resid  24 and name HA   ) (resid  29 and name HN   )    0.000    0.000    4.380
assign (resid  29 and name HN   ) (resid  29 and name HB   )    0.000    0.000    2.830
assign (resid  28 and name HN   ) (resid  28 and name HA   )    0.000    0.000    2.620
assign (resid  23 and name HN   ) (resid  23 and name HA   )    0.000    0.000    2.830
assign (resid  18 and name HB2  ) (resid  19 and name HN   )    0.000    0.000    3.760
assign (resid  21 and name HB1  ) (resid  22 and name HN   )    0.000    0.000    3.300
assign (resid  25 and name HN   ) (resid  25 and name HB2  )    0.000    0.000    2.930
assign (resid  14 and name HA   ) (resid  18 and name HN   )    0.000    0.000    4.380
assign (resid  14 and name HA   ) (resid  17 and name HN   )    0.000    0.000    3.300
assign (resid  15 and name HB2  ) (resid  16 and name HN   )    0.000    0.000    3.640
assign (resid  15 and name HB1  ) (resid  16 and name HN   )    0.000    0.000    3.640
assign (resid  14 and name HN   ) (resid  14 and name HB   )    0.000    0.000    2.770
assign (resid  12 and name HB2  ) (resid  13 and name HN   )    0.000    0.000    4.600
assign (resid  12 and name HB1  ) (resid  13 and name HN   )    0.000    0.000    4.600
assign (resid  11 and name HB1  ) (resid  13 and name HN   )    0.000    0.000    3.760
assign (resid  11 and name HN   ) (resid  11 and name HB1  )    0.000    0.000    3.420
assign (resid 108 and name HN   ) (resid 109 and name HN   )    0.000    0.000    3.330
assign (resid   9 and name HN   ) (resid  64 and name HN   )    0.000    0.000    4.420
assign (resid  13 and name HN   ) (resid  14 and name HN   )    0.000    0.000    4.570
assign (resid  24 and name HN   ) (resid  25 and name HN   )    0.000    0.000    3.330
assign (resid  33 and name HN   ) (resid  86 and name HN   )    0.000    0.000    3.860
assign (resid  52 and name HN   ) (resid  53 and name HN   )    0.000    0.000    3.300
assign (resid  65 and name HN   ) (resid  66 and name HN   )    0.000    0.000    4.660
assign (resid 107 and name HA   ) (resid 110 and name HN   )    0.000    0.000    3.360
assign (resid 104 and name HB#  ) (resid 107 and name HN   )    0.000    0.000    6.160
assign (resid  67 and name HB   ) (resid  68 and name HN   )    0.000    0.000    4.380
assign (resid  25 and name HN   ) (resid  26 and name HB#  )    0.000    0.000    6.350
assign (resid   4 and name HN   ) (resid   4 and name HB2  )    0.000    0.000    3.360
assign (resid   4 and name HN   ) (resid   4 and name HB1  )    0.000    0.000    3.360
assign (resid   7 and name HN   ) (resid   7 and name HB2  )    0.000    0.000    4.040
assign (resid   7 and name HN   ) (resid   7 and name HB1  )    0.000    0.000    4.040
assign (resid   7 and name HB1  ) (resid   8 and name HN   )    0.000    0.000    3.450
assign (resid  49 and name HN   ) (resid  50 and name HN   )    0.000    0.000    3.300
assign (resid  23 and name HB#  ) (resid  24 and name HN   )    0.000    0.000    4.140
assign (resid  69 and name HB1  ) (resid  70 and name HN   )    0.000    0.000    3.080
assign (resid  35 and name HA   ) (resid  65 and name HN   )    0.000    0.000    3.550
assign (resid  11 and name HN   ) (resid  65 and name HA   )    0.000    0.000    3.830
assign (resid  34 and name HN   ) (resid  63 and name HN   )    0.000    0.000    4.070
assign (resid  34 and name HA   ) (resid  86 and name HN   )    0.000    0.000    4.850
assign (resid  89 and name HN   ) (resid  92 and name HN   )    0.000    0.000    3.640
assign (resid  38 and name HA   ) (resid  40 and name HN   )    0.000    0.000    4.720
assign (resid  51 and name HN   ) (resid  52 and name HN   )    0.000    0.000    3.480
assign (resid  62 and name HB2  ) (resid  63 and name HN   )    0.000    0.000    3.760
assign (resid  74 and name HA   ) (resid  79 and name HN   )    0.000    0.000    4.380
assign (resid  27 and name HN   ) (resid  27 and name HB2  )    0.000    0.000    3.520
assign (resid  85 and name HN   ) (resid  97 and name HN   )    0.000    0.000    4.010
assign (resid 107 and name HB#  ) (resid 108 and name HN   )    0.000    0.000    4.420
assign (resid  72 and name HA   ) (resid  75 and name HN   )    0.000    0.000    3.420
assign (resid  84 and name HA   ) (resid  99 and name HN   )    0.000    0.000    4.540
assign (resid   8 and name HA   ) (resid  62 and name HN   )    0.000    0.000    4.880
assign (resid  74 and name HA   ) (resid  77 and name HN   )    0.000    0.000    4.570
assign (resid 113 and name HN   ) (resid 113 and name HB1  )    0.000    0.000    3.080
assign (resid  17 and name HD1  ) (resid  18 and name HN   )    0.000    0.000    4.660
assign (resid  39 and name HN   ) (resid  39 and name HD1  )    0.000    0.000    3.480
assign (resid  50 and name HD#  ) (resid  51 and name HN   )    0.000    0.000    7.620
assign (resid  60 and name HN   ) (resid  62 and name HE#  )    0.000    0.000    7.620
assign (resid  87 and name HD#  ) (resid  97 and name HN   )    0.000    0.000    7.620
assign (resid  87 and name HD#  ) (resid  95 and name HN   )    0.000    0.000    7.620
assign (resid 112 and name HN   ) (resid 112 and name HD2  )    0.000    0.000    5.500
assign (resid 113 and name HN   ) (resid 113 and name HG   )    0.000    0.000    4.040
assign (resid 105 and name HG   ) (resid 106 and name HN   )    0.000    0.000    4.760
assign (resid  94 and name HN   ) (resid  94 and name HG   )    0.000    0.000    3.520
assign (resid  87 and name HB2  ) (resid  95 and name HN   )    0.000    0.000    4.380
assign (resid  87 and name HB1  ) (resid  95 and name HN   )    0.000    0.000    4.380
assign (resid  94 and name HG   ) (resid  95 and name HN   )    0.000    0.000    5.500
assign (resid 101 and name HN   ) (resid 101 and name HG1  )    0.000    0.000    4.320
assign (resid 102 and name HN   ) (resid 102 and name HG2  )    0.000    0.000    4.320
assign (resid 103 and name HN   ) (resid 104 and name HG#  )    0.000    0.000    6.380
assign (resid 104 and name HN   ) (resid 104 and name HG#  )    0.000    0.000    5.290
assign (resid  33 and name HB   ) (resid  86 and name HN   )    0.000    0.000    4.010
assign (resid  85 and name HN   ) (resid  97 and name HB   )    0.000    0.000    4.690
assign (resid  35 and name HB2  ) (resid  84 and name HN   )    0.000    0.000    5.500
assign (resid  35 and name HB1  ) (resid  84 and name HN   )    0.000    0.000    5.500
assign (resid  82 and name HN   ) (resid  82 and name HG1  )    0.000    0.000    5.340
assign (resid  58 and name HD2  ) (resid  59 and name HN   )    0.000    0.000    4.540
assign (resid  58 and name HD1  ) (resid  59 and name HN   )    0.000    0.000    5.500
assign (resid  58 and name HG2  ) (resid  59 and name HN   )    0.000    0.000    5.500
assign (resid  58 and name HG1  ) (resid  59 and name HN   )    0.000    0.000    5.500
assign (resid  57 and name HN   ) (resid  58 and name HD2  )    0.000    0.000    5.500
assign (resid  57 and name HN   ) (resid  58 and name HD1  )    0.000    0.000    5.000
assign (resid  57 and name HN   ) (resid  57 and name HG   )    0.000    0.000    4.200
assign (resid  56 and name HN   ) (resid  56 and name HG#  )    0.000    0.000    5.820
assign (resid  55 and name HN   ) (resid  55 and name HG1  )    0.000    0.000    5.440
assign (resid  53 and name HG   ) (resid  54 and name HN   )    0.000    0.000    5.500
assign (resid  48 and name HD1  ) (resid  49 and name HN   )    0.000    0.000    4.660
assign (resid  46 and name HN   ) (resid  46 and name HG1# )    0.000    0.000    6.380
assign (resid  44 and name HN   ) (resid  44 and name HG2  )    0.000    0.000    4.540
assign (resid  42 and name HD2  ) (resid  43 and name HN   )    0.000    0.000    4.690
assign (resid  42 and name HG2  ) (resid  43 and name HN   )    0.000    0.000    5.500
assign (resid  42 and name HG1  ) (resid  43 and name HN   )    0.000    0.000    5.500
assign (resid  30 and name HG   ) (resid  31 and name HN   )    0.000    0.000    4.630
assign (resid  30 and name HN   ) (resid  89 and name HE#  )    0.000    0.000    6.380
assign (resid  20 and name HN   ) (resid  21 and name HG   )    0.000    0.000    5.500
assign (resid  22 and name HG#  ) (resid  23 and name HN   )    0.000    0.000    6.380
assign (resid  23 and name HN   ) (resid  23 and name HG2  )    0.000    0.000    5.500
assign (resid  23 and name HN   ) (resid  23 and name HG1  )    0.000    0.000    5.500
assign (resid 109 and name HN   ) (resid 109 and name HG11 )    0.000    0.000    4.290
assign (resid   9 and name HN   ) (resid   9 and name HG12 )    0.000    0.000    4.910
assign (resid  34 and name HN   ) (resid  50 and name HE#  )    0.000    0.000    7.620
assign (resid  34 and name HN   ) (resid  50 and name HD#  )    0.000    0.000    7.620
assign (resid 105 and name HG   ) (resid 107 and name HN   )    0.000    0.000    5.500
assign (resid  88 and name HB#  ) (resid  93 and name HN   )    0.000    0.000    6.380
assign (resid  89 and name HG1  ) (resid  90 and name HN   )    0.000    0.000    5.130
assign (resid   9 and name HB   ) (resid  64 and name HN   )    0.000    0.000    5.500
assign (resid   1 and name HN   ) (resid   1 and name HG2  )    0.000    0.000    5.500
assign (resid   1 and name HN   ) (resid   1 and name HG1  )    0.000    0.000    5.500
assign (resid   1 and name HG2  ) (resid   2 and name HN   )    0.000    0.000    5.500
assign (resid   4 and name HN   ) (resid   4 and name HG#  )    0.000    0.000    6.380
assign (resid   7 and name HN   ) (resid   7 and name HG#  )    0.000    0.000    5.660
assign (resid   7 and name HG#  ) (resid   8 and name HN   )    0.000    0.000    6.220
assign (resid   5 and name HN   ) (resid   5 and name HG#  )    0.000    0.000    6.190
assign (resid  47 and name HN   ) (resid  48 and name HD1  )    0.000    0.000    3.640
assign (resid  47 and name HN   ) (resid  48 and name HD2  )    0.000    0.000    3.640
assign (resid  49 and name HE#  ) (resid 106 and name HN   )    0.000    0.000    7.620
assign (resid  17 and name HE1  ) (resid  77 and name HE1  )    0.000    0.000    5.380
assign (resid  84 and name HN   ) (resid  84 and name HG1  )    0.000    0.000    5.500
assign (resid  81 and name HN   ) (resid  84 and name HG1  )    0.000    0.000    5.500
assign (resid 105 and name HD1# ) (resid 106 and name HN   )    0.000    0.000    6.530
assign (resid 105 and name HD2# ) (resid 106 and name HN   )    0.000    0.000    6.530
assign (resid 106 and name HN   ) (resid 109 and name HD1# )    0.000    0.000    6.530
assign (resid 105 and name HN   ) (resid 105 and name HD2# )    0.000    0.000    6.530
assign (resid 105 and name HN   ) (resid 105 and name HD1# )    0.000    0.000    6.530
assign (resid  94 and name HN   ) (resid  94 and name HD2# )    0.000    0.000    6.500
assign (resid  96 and name HN   ) (resid 108 and name HG2# )    0.000    0.000    6.530
assign (resid  65 and name HG1# ) (resid  66 and name HN   )    0.000    0.000    5.660
assign (resid  46 and name HD1# ) (resid 101 and name HN   )    0.000    0.000    5.940
assign (resid  46 and name HD1# ) (resid 102 and name HN   )    0.000    0.000    4.950
assign (resid  89 and name HN   ) (resid  94 and name HD2# )    0.000    0.000    6.530
assign (resid  89 and name HN   ) (resid  94 and name HD1# )    0.000    0.000    6.530
assign (resid  88 and name HN   ) (resid  88 and name HD1# )    0.000    0.000    6.530
assign (resid  88 and name HN   ) (resid  88 and name HD2# )    0.000    0.000    6.530
assign (resid  87 and name HN   ) (resid  93 and name HG2# )    0.000    0.000    6.530
assign (resid  84 and name HG2# ) (resid  86 and name HN   )    0.000    0.000    6.530
assign (resid  79 and name HD1# ) (resid  86 and name HN   )    0.000    0.000    6.530
assign (resid  79 and name HG2# ) (resid  84 and name HN   )    0.000    0.000    6.530
assign (resid  81 and name HB#  ) (resid  82 and name HN   )    0.000    0.000    4.230
assign (resid  79 and name HD1# ) (resid  80 and name HN   )    0.000    0.000    5.690
assign (resid  77 and name HN   ) (resid  78 and name HB#  )    0.000    0.000    6.530
assign (resid  77 and name HN   ) (resid  79 and name HD1# )    0.000    0.000    5.290
assign (resid  73 and name HG1# ) (resid  74 and name HN   )    0.000    0.000    6.250
assign (resid  73 and name HG2# ) (resid  74 and name HN   )    0.000    0.000    6.250
assign (resid  67 and name HN   ) (resid  67 and name HG2# )    0.000    0.000    4.050
assign (resid  37 and name HB#  ) (resid  67 and name HN   )    0.000    0.000    6.530
assign (resid  63 and name HD2# ) (resid  64 and name HN   )    0.000    0.000    6.530
assign (resid  63 and name HN   ) (resid  63 and name HD1# )    0.000    0.000    6.530
assign (resid  61 and name HN   ) (resid  61 and name HD1# )    0.000    0.000    6.090
assign (resid  59 and name HD22 ) (resid  60 and name HG1# )    0.000    0.000    9.650
assign (resid  54 and name HB#  ) (resid  55 and name HN   )    0.000    0.000    4.360
assign (resid  53 and name HN   ) (resid  53 and name HD2# )    0.000    0.000    5.500
assign (resid  59 and name HD21 ) (resid  60 and name HG1# )    0.000    0.000    9.650
assign (resid  46 and name HN   ) (resid 100 and name HB#  )    0.000    0.000    6.530
assign (resid  46 and name HN   ) (resid  46 and name HG2# )    0.000    0.000    3.830
assign (resid  37 and name HB#  ) (resid  40 and name HN   )    0.000    0.000    6.530
assign (resid  36 and name HN   ) (resid  36 and name HG2# )    0.000    0.000    3.950
assign (resid  35 and name HN   ) (resid  79 and name HD1# )    0.000    0.000    6.530
assign (resid  37 and name HB#  ) (resid  39 and name HN   )    0.000    0.000    4.480
assign (resid  33 and name HG1# ) (resid  34 and name HN   )    0.000    0.000    6.530
assign (resid  33 and name HG2# ) (resid  34 and name HN   )    0.000    0.000    6.530
assign (resid  32 and name HG1# ) (resid  33 and name HN   )    0.000    0.000    5.230
assign (resid  31 and name HG1# ) (resid  32 and name HN   )    0.000    0.000    6.500
assign (resid  31 and name HG2# ) (resid  32 and name HN   )    0.000    0.000    6.500
assign (resid  24 and name HB#  ) (resid  31 and name HN   )    0.000    0.000    6.530
assign (resid  31 and name HN   ) (resid  31 and name HG2# )    0.000    0.000    3.950
assign (resid  30 and name HN   ) (resid  60 and name HG1# )    0.000    0.000    6.530
assign (resid  30 and name HN   ) (resid  60 and name HG2# )    0.000    0.000    6.530
assign (resid  16 and name HG2# ) (resid  20 and name HN   )    0.000    0.000    6.530
assign (resid   9 and name HD1# ) (resid  20 and name HE21 )    0.000    0.000    6.530
assign (resid   9 and name HD1# ) (resid  20 and name HE22 )    0.000    0.000    6.530
assign (resid  16 and name HG2# ) (resid  17 and name HN   )    0.000    0.000    6.530
assign (resid  17 and name HE1  ) (resid  73 and name HG2# )    0.000    0.000    5.100
assign (resid  13 and name HG2# ) (resid  15 and name HN   )    0.000    0.000    6.530
assign (resid  13 and name HG2# ) (resid  14 and name HN   )    0.000    0.000    6.530
assign (resid  13 and name HN   ) (resid  16 and name HG2# )    0.000    0.000    6.530
assign (resid 108 and name HG2# ) (resid 109 and name HN   )    0.000    0.000    6.530
assign (resid 109 and name HN   ) (resid 110 and name HB#  )    0.000    0.000    6.190
assign (resid   9 and name HG2# ) (resid  10 and name HN   )    0.000    0.000    4.260
assign (resid   8 and name HG1# ) (resid   9 and name HN   )    0.000    0.000    5.320
assign (resid   8 and name HG2# ) (resid   9 and name HN   )    0.000    0.000    5.320
assign (resid  94 and name HN   ) (resid  94 and name HD1# )    0.000    0.000    6.500
assign (resid  71 and name HN   ) (resid  74 and name HB#  )    0.000    0.000    6.530
assign (resid  79 and name HN   ) (resid  79 and name HD1# )    0.000    0.000    5.100
assign (resid  80 and name HN   ) (resid  81 and name HB#  )    0.000    0.000    6.530
assign (resid  54 and name HB#  ) (resid  62 and name HN   )    0.000    0.000    6.530
assign (resid  63 and name HD1# ) (resid  64 and name HN   )    0.000    0.000    6.530
assign (resid  67 and name HG2# ) (resid  68 and name HN   )    0.000    0.000    6.530
assign (resid   8 and name HN   ) (resid  54 and name HB#  )    0.000    0.000    5.230
assign (resid  50 and name HN   ) (resid  51 and name HB#  )    0.000    0.000    6.530
assign (resid  61 and name HN   ) (resid  61 and name HD2# )    0.000    0.000    6.090
assign (resid  36 and name HG2# ) (resid  65 and name HN   )    0.000    0.000    6.530
assign (resid  73 and name HN   ) (resid  74 and name HB#  )    0.000    0.000    5.940
assign (resid  17 and name HA   ) (resid  17 and name HE3  )    0.000    0.000    3.790
assign (resid  11 and name HA   ) (resid  12 and name HD2  )    0.000    0.000    4.420
assign (resid  17 and name HD1  ) (resid  18 and name HA   )    0.000    0.000    4.230
assign (resid  14 and name HA   ) (resid  17 and name HD1  )    0.000    0.000    3.950
assign (resid  17 and name HZ2  ) (resid  77 and name HE1  )    0.000    0.000    4.350
assign (resid  35 and name HD#  ) (resid  65 and name HB   )    0.000    0.000    6.880
assign (resid  35 and name HE#  ) (resid  79 and name HB   )    0.000    0.000    7.340
assign (resid  35 and name HE#  ) (resid  86 and name HB2  )    0.000    0.000    6.970
assign (resid  35 and name HD#  ) (resid  86 and name HB1  )    0.000    0.000    7.620
assign (resid  35 and name HD#  ) (resid  86 and name HB2  )    0.000    0.000    7.620
assign (resid  35 and name HD#  ) (resid  84 and name HB   )    0.000    0.000    7.400
assign (resid  34 and name HA   ) (resid  35 and name HD#  )    0.000    0.000    7.620
assign (resid  39 and name HB1  ) (resid  39 and name HD1  )    0.000    0.000    3.580
assign (resid  85 and name HE#  ) (resid  97 and name HB   )    0.000    0.000    7.620
assign (resid  46 and name HG1# ) (resid  85 and name HE#  )    0.000    0.000    8.500
assign (resid  49 and name HE#  ) (resid 105 and name HA   )    0.000    0.000    7.000
assign (resid  49 and name HE#  ) (resid 108 and name HB   )    0.000    0.000    6.970
assign (resid  49 and name HE#  ) (resid 109 and name HG12 )    0.000    0.000    6.750
assign (resid  49 and name HE#  ) (resid 109 and name HG11 )    0.000    0.000    6.750
assign (resid  32 and name HB   ) (resid  50 and name HE#  )    0.000    0.000    7.620
assign (resid  50 and name HD#  ) (resid  62 and name HD#  )    0.000    0.000    9.650
assign (resid  50 and name HE#  ) (resid  62 and name HD#  )    0.000    0.000    9.740
assign (resid  50 and name HD#  ) (resid  62 and name HE#  )    0.000    0.000    9.740
assign (resid  32 and name HB   ) (resid  62 and name HD#  )    0.000    0.000    6.880
assign (resid  54 and name HA   ) (resid  62 and name HE#  )    0.000    0.000    6.350
assign (resid  60 and name HB   ) (resid  62 and name HE#  )    0.000    0.000    5.700
assign (resid  57 and name HB1  ) (resid  62 and name HE#  )    0.000    0.000    6.290
assign (resid  54 and name HA   ) (resid  62 and name HZ   )    0.000    0.000    3.730
assign (resid  60 and name HB   ) (resid  62 and name HZ   )    0.000    0.000    4.450
assign (resid  57 and name HB1  ) (resid  62 and name HZ   )    0.000    0.000    4.290
assign (resid  17 and name HZ2  ) (resid  77 and name HZ2  )    0.000    0.000    3.950
assign (resid  76 and name HN   ) (resid  77 and name HD1  )    0.000    0.000    4.630
assign (resid  77 and name HA   ) (resid  77 and name HD1  )    0.000    0.000    4.630
assign (resid  73 and name HA   ) (resid  77 and name HD1  )    0.000    0.000    4.070
assign (resid  34 and name HA   ) (resid  85 and name HD#  )    0.000    0.000    7.620
assign (resid  85 and name HD#  ) (resid  97 and name HB   )    0.000    0.000    6.720
assign (resid 111 and name HB2  ) (resid 112 and name HD2  )    0.000    0.000    4.540
assign (resid 111 and name HB1  ) (resid 112 and name HD2  )    0.000    0.000    4.540
assign (resid  87 and name HD#  ) (resid  95 and name HB1  )    0.000    0.000    7.620
assign (resid  39 and name HA   ) (resid  39 and name HD1  )    0.000    0.000    5.440
assign (resid  77 and name HA   ) (resid  77 and name HE3  )    0.000    0.000    4.820
assign (resid 108 and name HB   ) (resid 112 and name HD2  )    0.000    0.000    5.000
assign (resid  87 and name HD#  ) (resid  96 and name HA   )    0.000    0.000    7.090
assign (resid  35 and name HD#  ) (resid  36 and name HN   )    0.000    0.000    7.620
assign (resid  94 and name HB2  ) (resid 112 and name HE1  )    0.000    0.000    5.040
assign (resid  45 and name HD#  ) (resid  46 and name HB   )    0.000    0.000    7.620
assign (resid  46 and name HB   ) (resid  85 and name HZ   )    0.000    0.000    5.160
assign (resid  46 and name HB   ) (resid  85 and name HE#  )    0.000    0.000    7.620
assign (resid  10 and name HB#  ) (resid  12 and name HE1  )    0.000    0.000    4.640
assign (resid  10 and name HB#  ) (resid  12 and name HD2  )    0.000    0.000    5.290
assign (resid  17 and name HD1  ) (resid  73 and name HG1# )    0.000    0.000    5.130
assign (resid  17 and name HD1  ) (resid  73 and name HG2# )    0.000    0.000    5.130
assign (resid  17 and name HZ3  ) (resid  33 and name HG1# )    0.000    0.000    5.260
assign (resid  35 and name HD#  ) (resid  84 and name HG2# )    0.000    0.000    8.150
assign (resid  35 and name HZ   ) (resid  79 and name HD1# )    0.000    0.000    5.600
assign (resid  37 and name HB#  ) (resid  39 and name HD1  )    0.000    0.000    5.410
assign (resid  39 and name HZ2  ) (resid  82 and name HE#  )    0.000    0.000    4.330
assign (resid  37 and name HB#  ) (resid  39 and name HZ2  )    0.000    0.000    5.350
assign (resid  85 and name HE#  ) (resid 105 and name HD2# )    0.000    0.000    8.090
assign (resid  85 and name HE#  ) (resid 105 and name HD1# )    0.000    0.000    8.090
assign (resid  49 and name HD#  ) (resid 105 and name HD2# )    0.000    0.000    7.660
assign (resid  49 and name HE#  ) (resid 105 and name HD1# )    0.000    0.000    8.430
assign (resid  54 and name HB#  ) (resid  62 and name HD#  )    0.000    0.000    7.350
assign (resid  54 and name HB#  ) (resid  62 and name HE#  )    0.000    0.000    7.440
assign (resid  77 and name HH2  ) (resid  88 and name HD2# )    0.000    0.000    5.630
assign (resid  73 and name HG1# ) (resid  77 and name HD1  )    0.000    0.000    5.720
assign (resid 109 and name HG2# ) (resid 112 and name HD2  )    0.000    0.000    5.440
assign (resid 108 and name HG2# ) (resid 112 and name HD2  )    0.000    0.000    3.770
assign (resid  46 and name HG2# ) (resid  85 and name HZ   )    0.000    0.000    3.860
assign (resid  46 and name HD1# ) (resid  85 and name HZ   )    0.000    0.000    4.450
assign (resid   8 and name HG1# ) (resid  50 and name HD#  )    0.000    0.000    6.790
assign (resid  50 and name HD#  ) (resid  53 and name HD2# )    0.000    0.000    8.460
assign (resid  77 and name HZ3  ) (resid  93 and name HD1# )    0.000    0.000    5.600
assign (resid  87 and name HD#  ) (resid 108 and name HG2# )    0.000    0.000    8.090
assign (resid  45 and name HD#  ) (resid 100 and name HB#  )    0.000    0.000    7.810
assign (resid  39 and name HH2  ) (resid  82 and name HE#  )    0.000    0.000    4.820
assign (resid  39 and name HZ3  ) (resid  82 and name HE#  )    0.000    0.000    6.190
assign (resid   1 and name HN   ) (resid   1 and name HG#  )    0.000    0.000    5.080
assign (resid   1 and name HA   ) (resid   1 and name HG#  )    0.000    0.000    4.030
assign (resid   1 and name HG#  ) (resid   2 and name HN   )    0.000    0.000    4.980
assign (resid   7 and name HN   ) (resid   7 and name HB#  )    0.000    0.000    3.600
assign (resid   7 and name HB#  ) (resid   8 and name HN   )    0.000    0.000    3.280
assign (resid   8 and name HN   ) (resid   8 and name HG#  )    0.000    0.000    4.090
assign (resid   8 and name HA   ) (resid  62 and name HB#  )    0.000    0.000    4.200
assign (resid   8 and name HG#  ) (resid   9 and name HN   )    0.000    0.000    4.560
assign (resid   8 and name HG#  ) (resid  51 and name HA   )    0.000    0.000    5.360
assign (resid   8 and name HG#  ) (resid  54 and name HB#  )    0.000    0.000    6.600
assign (resid   8 and name HG#  ) (resid  62 and name HB#  )    0.000    0.000    5.140
assign (resid   8 and name HG1# ) (resid  62 and name HB2  )    0.000    0.000    6.820
assign (resid   8 and name HG#  ) (resid  64 and name HN   )    0.000    0.000    6.230
assign (resid   9 and name HN   ) (resid   9 and name HG1# )    0.000    0.000    4.400
assign (resid   9 and name HG2# ) (resid  20 and name HG#  )    0.000    0.000    6.040
assign (resid   9 and name HG1# ) (resid  10 and name HN   )    0.000    0.000    6.380
assign (resid   9 and name HD1# ) (resid  20 and name HG#  )    0.000    0.000    5.980
assign (resid   9 and name HD1# ) (resid  20 and name HE2# )    0.000    0.000    6.060
assign (resid  10 and name HA   ) (resid  64 and name HB#  )    0.000    0.000    3.850
assign (resid  11 and name HN   ) (resid  11 and name HB#  )    0.000    0.000    3.160
assign (resid  11 and name HN   ) (resid  64 and name HB#  )    0.000    0.000    6.100
assign (resid  11 and name HN   ) (resid  65 and name HG#  )    0.000    0.000    8.090
assign (resid  11 and name HB#  ) (resid  16 and name HG2# )    0.000    0.000    6.480
assign (resid  11 and name HB#  ) (resid  17 and name HN   )    0.000    0.000    5.420
assign (resid  11 and name HB#  ) (resid  65 and name HG#  )    0.000    0.000    6.300
assign (resid  11 and name HB2  ) (resid  65 and name HG1# )    0.000    0.000    8.070
assign (resid  11 and name HB1  ) (resid  65 and name HG1# )    0.000    0.000    8.070
assign (resid  11 and name HB#  ) (resid  70 and name HD#  )    0.000    0.000    6.660
assign (resid  11 and name HB2  ) (resid  70 and name HD1# )    0.000    0.000    8.430
assign (resid  11 and name HB1  ) (resid  70 and name HD1# )    0.000    0.000    8.430
assign (resid  12 and name HB#  ) (resid  13 and name HN   )    0.000    0.000    4.440
assign (resid  13 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    6.300
assign (resid  13 and name HA   ) (resid  70 and name HD#  )    0.000    0.000    5.120
assign (resid  14 and name HN   ) (resid  14 and name HG#  )    0.000    0.000    4.280
assign (resid  14 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    6.210
assign (resid  14 and name HA   ) (resid  17 and name HB#  )    0.000    0.000    2.920
assign (resid  14 and name HA   ) (resid  70 and name HD#  )    0.000    0.000    5.590
assign (resid  14 and name HB   ) (resid  70 and name HD#  )    0.000    0.000    6.830
assign (resid  14 and name HG#  ) (resid  15 and name HN   )    0.000    0.000    7.280
assign (resid  14 and name HG#  ) (resid  17 and name HD1  )    0.000    0.000    6.510
assign (resid  14 and name HG#  ) (resid  18 and name HN   )    0.000    0.000    8.090
assign (resid  14 and name HG#  ) (resid  18 and name HD2# )    0.000    0.000    6.010
assign (resid  14 and name HG1# ) (resid  18 and name HD21 )    0.000    0.000    7.690
assign (resid  14 and name HG1# ) (resid  18 and name HD22 )    0.000    0.000    7.690
assign (resid  14 and name HG#  ) (resid  70 and name HD#  )    0.000    0.000    8.300
assign (resid  14 and name HG#  ) (resid  73 and name HG#  )    0.000    0.000    8.910
assign (resid  15 and name HN   ) (resid  15 and name HB#  )    0.000    0.000    2.970
assign (resid  15 and name HN   ) (resid  15 and name HG#  )    0.000    0.000    6.380
assign (resid  15 and name HA   ) (resid  15 and name HG#  )    0.000    0.000    3.420
assign (resid  15 and name HA   ) (resid  18 and name HB#  )    0.000    0.000    4.150
assign (resid  15 and name HA   ) (resid  18 and name HD2# )    0.000    0.000    5.130
assign (resid  15 and name HB#  ) (resid  15 and name HG#  )    0.000    0.000    2.450
assign (resid  15 and name HB#  ) (resid  16 and name HN   )    0.000    0.000    3.440
assign (resid  16 and name HA   ) (resid  19 and name HB#  )    0.000    0.000    3.780
assign (resid  16 and name HG2# ) (resid  20 and name HG#  )    0.000    0.000    5.420
assign (resid  17 and name HN   ) (resid  65 and name HG#  )    0.000    0.000    8.090
assign (resid  17 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    7.970
assign (resid  17 and name HB#  ) (resid  18 and name HN   )    0.000    0.000    4.270
assign (resid  17 and name HB#  ) (resid  70 and name HD#  )    0.000    0.000    6.350
assign (resid  17 and name HB2  ) (resid  70 and name HD2# )    0.000    0.000    8.120
assign (resid  17 and name HB1  ) (resid  70 and name HD2# )    0.000    0.000    8.120
assign (resid  17 and name HD1  ) (resid  73 and name HG#  )    0.000    0.000    4.600
assign (resid  17 and name HE3  ) (resid  33 and name HG#  )    0.000    0.000    7.340
assign (resid  17 and name HE3  ) (resid  63 and name HB#  )    0.000    0.000    5.670
assign (resid  17 and name HE3  ) (resid  63 and name HD#  )    0.000    0.000    6.730
assign (resid  17 and name HE3  ) (resid  65 and name HG#  )    0.000    0.000    6.290
assign (resid  17 and name HE1  ) (resid  21 and name HD#  )    0.000    0.000    6.670
assign (resid  17 and name HE1  ) (resid  73 and name HG#  )    0.000    0.000    4.630
assign (resid  17 and name HZ3  ) (resid  33 and name HG#  )    0.000    0.000    4.350
assign (resid  17 and name HZ3  ) (resid  63 and name HD#  )    0.000    0.000    6.550
assign (resid  17 and name HZ3  ) (resid  73 and name HG#  )    0.000    0.000    6.600
assign (resid  17 and name HZ2  ) (resid  21 and name HD#  )    0.000    0.000    4.600
assign (resid  17 and name HH2  ) (resid  21 and name HD#  )    0.000    0.000    6.580
assign (resid  17 and name HH2  ) (resid  33 and name HG#  )    0.000    0.000    5.390
assign (resid  17 and name HH2  ) (resid  63 and name HD#  )    0.000    0.000    7.420
assign (resid  18 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    6.380
assign (resid  18 and name HA   ) (resid  18 and name HB#  )    0.000    0.000    2.720
assign (resid  18 and name HA   ) (resid  21 and name HB#  )    0.000    0.000    3.990
assign (resid  18 and name HA   ) (resid  21 and name HD#  )    0.000    0.000    6.520
assign (resid  18 and name HB#  ) (resid  19 and name HN   )    0.000    0.000    3.500
assign (resid  19 and name HN   ) (resid  19 and name HG#  )    0.000    0.000    5.980
assign (resid  19 and name HA   ) (resid  19 and name HG#  )    0.000    0.000    3.420
assign (resid  19 and name HB#  ) (resid  20 and name HN   )    0.000    0.000    4.400
assign (resid  20 and name HN   ) (resid  20 and name HG#  )    0.000    0.000    3.520
assign (resid  20 and name HA   ) (resid  20 and name HB#  )    0.000    0.000    2.600
assign (resid  20 and name HB#  ) (resid  21 and name HG   )    0.000    0.000    4.740
assign (resid  20 and name HB#  ) (resid  22 and name HN   )    0.000    0.000    5.390
assign (resid  20 and name HB#  ) (resid  63 and name HD#  )    0.000    0.000    6.520
assign (resid  20 and name HB2  ) (resid  63 and name HD2# )    0.000    0.000    8.150
assign (resid  20 and name HB1  ) (resid  63 and name HD2# )    0.000    0.000    8.150
assign (resid  20 and name HG#  ) (resid  21 and name HN   )    0.000    0.000    6.380
assign (resid  21 and name HN   ) (resid  21 and name HB#  )    0.000    0.000    2.910
assign (resid  21 and name HN   ) (resid  21 and name HD#  )    0.000    0.000    7.760
assign (resid  21 and name HA   ) (resid  21 and name HB#  )    0.000    0.000    2.600
assign (resid  21 and name HA   ) (resid  21 and name HD#  )    0.000    0.000    4.200
assign (resid  21 and name HA   ) (resid  63 and name HD#  )    0.000    0.000    6.670
assign (resid  21 and name HB#  ) (resid  22 and name HN   )    0.000    0.000    3.020
assign (resid  21 and name HD#  ) (resid  77 and name HZ2  )    0.000    0.000    6.760
assign (resid  22 and name HA   ) (resid  25 and name HB#  )    0.000    0.000    2.950
assign (resid  22 and name HA   ) (resid  25 and name HD2# )    0.000    0.000    6.370
assign (resid  23 and name HN   ) (resid  23 and name HG#  )    0.000    0.000    5.040
assign (resid  23 and name HA   ) (resid  23 and name HG#  )    0.000    0.000    3.580
assign (resid  23 and name HG#  ) (resid  24 and name HN   )    0.000    0.000    4.800
assign (resid  24 and name HB#  ) (resid  31 and name HG#  )    0.000    0.000    5.430
assign (resid  25 and name HN   ) (resid  25 and name HB#  )    0.000    0.000    2.730
assign (resid  25 and name HA   ) (resid  25 and name HB#  )    0.000    0.000    2.740
assign (resid  25 and name HB#  ) (resid  26 and name HB#  )    0.000    0.000    6.880
assign (resid  26 and name HN   ) (resid  26 and name HG#  )    0.000    0.000    4.690
assign (resid  26 and name HA   ) (resid  26 and name HG#  )    0.000    0.000    3.970
assign (resid  27 and name HN   ) (resid  27 and name HB#  )    0.000    0.000    3.330
assign (resid  27 and name HA   ) (resid  27 and name HB#  )    0.000    0.000    2.670
assign (resid  28 and name HN   ) (resid  28 and name HG#  )    0.000    0.000    4.130
assign (resid  28 and name HA   ) (resid  28 and name HG#  )    0.000    0.000    3.030
assign (resid  30 and name HN   ) (resid  30 and name HD#  )    0.000    0.000    8.100
assign (resid  30 and name HA   ) (resid  30 and name HD#  )    0.000    0.000    4.190
assign (resid  30 and name HB#  ) (resid  60 and name HG#  )    0.000    0.000    6.340
assign (resid  30 and name HB2  ) (resid  60 and name HG1# )    0.000    0.000    8.070
assign (resid  30 and name HB1  ) (resid  60 and name HG1# )    0.000    0.000    8.070
assign (resid  30 and name HG   ) (resid  60 and name HG#  )    0.000    0.000    5.950
assign (resid  30 and name HD#  ) (resid  31 and name HN   )    0.000    0.000    5.650
assign (resid  30 and name HD#  ) (resid  32 and name HN   )    0.000    0.000    8.100
assign (resid  30 and name HD#  ) (resid  60 and name HG#  )    0.000    0.000    7.360
assign (resid  30 and name HD1# ) (resid  60 and name HG1# )    0.000    0.000    9.370
assign (resid  30 and name HD2# ) (resid  60 and name HG1# )    0.000    0.000    9.370
assign (resid  30 and name HD#  ) (resid  87 and name HD#  )    0.000    0.000    7.670
assign (resid  30 and name HD#  ) (resid  88 and name HN   )    0.000    0.000    6.330
assign (resid  30 and name HD#  ) (resid  89 and name HB#  )    0.000    0.000    5.450
assign (resid  30 and name HD1# ) (resid  89 and name HB2  )    0.000    0.000    7.090
assign (resid  30 and name HD1# ) (resid  89 and name HB1  )    0.000    0.000    7.090
assign (resid  30 and name HD#  ) (resid  89 and name HE#  )    0.000    0.000    8.690
assign (resid  31 and name HA   ) (resid  61 and name HB#  )    0.000    0.000    4.250
assign (resid  31 and name HG#  ) (resid  32 and name HN   )    0.000    0.000    5.700
assign (resid  31 and name HG#  ) (resid  33 and name HN   )    0.000    0.000    8.090
assign (resid  31 and name HG#  ) (resid  61 and name HB#  )    0.000    0.000    6.850
assign (resid  31 and name HG1# ) (resid  61 and name HB2  )    0.000    0.000    8.620
assign (resid  31 and name HG1# ) (resid  61 and name HB1  )    0.000    0.000    8.620
assign (resid  31 and name HG#  ) (resid  88 and name HN   )    0.000    0.000    6.600
assign (resid  32 and name HN   ) (resid  60 and name HG#  )    0.000    0.000    6.820
assign (resid  32 and name HG#  ) (resid  33 and name HN   )    0.000    0.000    4.600
assign (resid  32 and name HG#  ) (resid  50 and name HD#  )    0.000    0.000    8.160
assign (resid  32 and name HG#  ) (resid  50 and name HE#  )    0.000    0.000    9.560
assign (resid  32 and name HG#  ) (resid  85 and name HB#  )    0.000    0.000    6.830
assign (resid  32 and name HG2# ) (resid  85 and name HB2  )    0.000    0.000    8.780
assign (resid  32 and name HG2# ) (resid  85 and name HB1  )    0.000    0.000    8.780
assign (resid  32 and name HG#  ) (resid  85 and name HD#  )    0.000    0.000    9.530
assign (resid  32 and name HG#  ) (resid 109 and name HG1# )    0.000    0.000    6.860
assign (resid  32 and name HG1# ) (resid 109 and name HG12 )    0.000    0.000    8.840
assign (resid  32 and name HG1# ) (resid 109 and name HG11 )    0.000    0.000    8.840
assign (resid  32 and name HG#  ) (resid 109 and name HD1# )    0.000    0.000    7.810
assign (resid  33 and name HN   ) (resid  33 and name HG#  )    0.000    0.000    4.320
assign (resid  33 and name HN   ) (resid  86 and name HB#  )    0.000    0.000    6.380
assign (resid  33 and name HA   ) (resid  63 and name HB#  )    0.000    0.000    4.480
assign (resid  33 and name HG#  ) (resid  34 and name HN   )    0.000    0.000    5.380
assign (resid  33 and name HG#  ) (resid  63 and name HN   )    0.000    0.000    8.090
assign (resid  33 and name HG#  ) (resid  63 and name HB#  )    0.000    0.000    4.540
assign (resid  33 and name HG1# ) (resid  63 and name HB2  )    0.000    0.000    6.080
assign (resid  33 and name HG#  ) (resid  86 and name HN   )    0.000    0.000    8.090
assign (resid  33 and name HG#  ) (resid  86 and name HB#  )    0.000    0.000    7.820
assign (resid  34 and name HN   ) (resid  34 and name HB#  )    0.000    0.000    2.980
assign (resid  34 and name HN   ) (resid  63 and name HB#  )    0.000    0.000    6.380
assign (resid  34 and name HN   ) (resid  64 and name HB#  )    0.000    0.000    6.380
assign (resid  34 and name HB#  ) (resid  64 and name HA   )    0.000    0.000    5.230
assign (resid  34 and name HB#  ) (resid  85 and name HD#  )    0.000    0.000    8.250
assign (resid  35 and name HN   ) (resid  35 and name HB#  )    0.000    0.000    3.190
assign (resid  35 and name HB#  ) (resid  67 and name HG2# )    0.000    0.000    4.720
assign (resid  35 and name HB#  ) (resid  79 and name HG2# )    0.000    0.000    4.760
assign (resid  35 and name HB#  ) (resid  84 and name HB   )    0.000    0.000    4.490
assign (resid  35 and name HD#  ) (resid  65 and name HG#  )    0.000    0.000    8.750
assign (resid  35 and name HE#  ) (resid  65 and name HG#  )    0.000    0.000    8.630
assign (resid  35 and name HE#  ) (resid  86 and name HB#  )    0.000    0.000    6.780
assign (resid  36 and name HN   ) (resid  65 and name HG#  )    0.000    0.000    8.090
assign (resid  36 and name HA   ) (resid  82 and name HB#  )    0.000    0.000    4.840
assign (resid  36 and name HG2# ) (resid  66 and name HB#  )    0.000    0.000    6.290
assign (resid  39 and name HN   ) (resid  39 and name HB#  )    0.000    0.000    3.410
assign (resid  39 and name HB#  ) (resid  39 and name HD1  )    0.000    0.000    3.330
assign (resid  39 and name HH2  ) (resid  82 and name HG#  )    0.000    0.000    5.570
assign (resid  40 and name HB#  ) (resid  43 and name HB#  )    0.000    0.000    5.840
assign (resid  41 and name HN   ) (resid  42 and name HD#  )    0.000    0.000    5.360
assign (resid  42 and name HB#  ) (resid  43 and name HN   )    0.000    0.000    4.440
assign (resid  42 and name HB#  ) (resid  45 and name HB#  )    0.000    0.000    5.870
assign (resid  42 and name HD#  ) (resid  43 and name HN   )    0.000    0.000    4.450
assign (resid  43 and name HN   ) (resid  43 and name HB#  )    0.000    0.000    3.620
assign (resid  43 and name HB#  ) (resid  44 and name HN   )    0.000    0.000    3.530
assign (resid  44 and name HN   ) (resid  44 and name HG#  )    0.000    0.000    4.360
assign (resid  44 and name HA   ) (resid  44 and name HB#  )    0.000    0.000    2.620
assign (resid  44 and name HA   ) (resid  44 and name HG#  )    0.000    0.000    3.310
assign (resid  44 and name HA   ) (resid  44 and name HD#  )    0.000    0.000    6.160
assign (resid  47 and name HB#  ) (resid  48 and name HD#  )    0.000    0.000    3.860
assign (resid  48 and name HB#  ) (resid  49 and name HN   )    0.000    0.000    3.730
assign (resid  48 and name HD#  ) (resid  49 and name HN   )    0.000    0.000    4.500
assign (resid  49 and name HA   ) (resid  52 and name HB#  )    0.000    0.000    2.960
assign (resid  49 and name HB#  ) (resid  50 and name HN   )    0.000    0.000    4.300
assign (resid  49 and name HD#  ) (resid 105 and name HB#  )    0.000    0.000    8.500
assign (resid  49 and name HD#  ) (resid 105 and name HD#  )    0.000    0.000    7.360
assign (resid  49 and name HD#  ) (resid 109 and name HG1# )    0.000    0.000    6.210
assign (resid  49 and name HE#  ) (resid 105 and name HD#  )    0.000    0.000    7.300
assign (resid  50 and name HA   ) (resid  53 and name HB#  )    0.000    0.000    3.370
assign (resid  50 and name HA   ) (resid  53 and name HD#  )    0.000    0.000    5.800
assign (resid  50 and name HB#  ) (resid  51 and name HN   )    0.000    0.000    3.620
assign (resid  50 and name HD#  ) (resid  53 and name HD#  )    0.000    0.000    7.450
assign (resid  50 and name HD#  ) (resid  62 and name HB#  )    0.000    0.000    8.350
assign (resid  50 and name HE#  ) (resid  62 and name HB#  )    0.000    0.000    8.500
assign (resid  52 and name HN   ) (resid  53 and name HB#  )    0.000    0.000    4.670
assign (resid  52 and name HB#  ) (resid  53 and name HN   )    0.000    0.000    3.280
assign (resid  53 and name HN   ) (resid  53 and name HB#  )    0.000    0.000    3.040
assign (resid  53 and name HN   ) (resid  53 and name HD#  )    0.000    0.000    4.930
assign (resid  53 and name HA   ) (resid  53 and name HD#  )    0.000    0.000    4.200
assign (resid  53 and name HB#  ) (resid  54 and name HN   )    0.000    0.000    3.440
assign (resid  53 and name HB#  ) (resid  62 and name HE#  )    0.000    0.000    6.780
assign (resid  53 and name HB#  ) (resid  62 and name HZ   )    0.000    0.000    4.770
assign (resid  53 and name HD#  ) (resid  54 and name HN   )    0.000    0.000    8.100
assign (resid  53 and name HD#  ) (resid  62 and name HE#  )    0.000    0.000    9.910
assign (resid  53 and name HD#  ) (resid  62 and name HZ   )    0.000    0.000    7.260
assign (resid  53 and name HD#  ) (resid  85 and name HB#  )    0.000    0.000    6.730
assign (resid  53 and name HD2# ) (resid  85 and name HB2  )    0.000    0.000    8.610
assign (resid  53 and name HD2# ) (resid  85 and name HB1  )    0.000    0.000    8.610
assign (resid  55 and name HN   ) (resid  55 and name HG#  )    0.000    0.000    4.780
assign (resid  55 and name HA   ) (resid  55 and name HG#  )    0.000    0.000    3.290
assign (resid  57 and name HN   ) (resid  57 and name HB#  )    0.000    0.000    3.190
assign (resid  57 and name HN   ) (resid  57 and name HD#  )    0.000    0.000    7.880
assign (resid  57 and name HB#  ) (resid  62 and name HZ   )    0.000    0.000    4.120
assign (resid  57 and name HD#  ) (resid  58 and name HD2  )    0.000    0.000    7.380
assign (resid  57 and name HD#  ) (resid  58 and name HD1  )    0.000    0.000    7.260
assign (resid  57 and name HD#  ) (resid  62 and name HD#  )    0.000    0.000   10.220
assign (resid  57 and name HD#  ) (resid  62 and name HE#  )    0.000    0.000    8.640
assign (resid  57 and name HD#  ) (resid  62 and name HZ   )    0.000    0.000    5.680
assign (resid  58 and name HG#  ) (resid  59 and name HN   )    0.000    0.000    5.370
assign (resid  59 and name HN   ) (resid  60 and name HG#  )    0.000    0.000    8.090
assign (resid  59 and name HA   ) (resid  59 and name HD2# )    0.000    0.000    4.910
assign (resid  59 and name HD2# ) (resid  60 and name HG#  )    0.000    0.000    8.040
assign (resid  59 and name HD21 ) (resid  60 and name HG2# )    0.000    0.000    9.650
assign (resid  59 and name HD22 ) (resid  60 and name HG2# )    0.000    0.000    9.650
assign (resid  60 and name HG#  ) (resid  61 and name HN   )    0.000    0.000    5.920
assign (resid  60 and name HG#  ) (resid  62 and name HD#  )    0.000    0.000    9.430
assign (resid  60 and name HG#  ) (resid  62 and name HE#  )    0.000    0.000    9.000
assign (resid  60 and name HG#  ) (resid  62 and name HZ   )    0.000    0.000    7.280
assign (resid  61 and name HN   ) (resid  61 and name HB#  )    0.000    0.000    3.090
assign (resid  61 and name HN   ) (resid  61 and name HD#  )    0.000    0.000    5.460
assign (resid  61 and name HD#  ) (resid  62 and name HN   )    0.000    0.000    5.900
assign (resid  62 and name HN   ) (resid  62 and name HB#  )    0.000    0.000    3.630
assign (resid  62 and name HN   ) (resid  63 and name HD#  )    0.000    0.000    8.100
assign (resid  62 and name HD#  ) (resid  63 and name HD#  )    0.000    0.000   10.220
assign (resid  63 and name HN   ) (resid  63 and name HB#  )    0.000    0.000    3.530
assign (resid  63 and name HN   ) (resid  63 and name HD#  )    0.000    0.000    5.530
assign (resid  63 and name HA   ) (resid  63 and name HD#  )    0.000    0.000    4.380
assign (resid  63 and name HB#  ) (resid  64 and name HN   )    0.000    0.000    3.940
assign (resid  63 and name HD#  ) (resid  64 and name HN   )    0.000    0.000    5.750
assign (resid  64 and name HA   ) (resid  64 and name HB#  )    0.000    0.000    2.650
assign (resid  64 and name HA   ) (resid  64 and name HG#  )    0.000    0.000    3.540
assign (resid  64 and name HA   ) (resid  64 and name HD#  )    0.000    0.000    3.810
assign (resid  64 and name HB#  ) (resid  64 and name HE#  )    0.000    0.000    5.490
assign (resid  64 and name HB#  ) (resid  65 and name HN   )    0.000    0.000    5.330
assign (resid  64 and name HG#  ) (resid  65 and name HN   )    0.000    0.000    5.170
assign (resid  65 and name HG#  ) (resid  66 and name HN   )    0.000    0.000    4.870
assign (resid  65 and name HG#  ) (resid  67 and name HA   )    0.000    0.000    6.200
assign (resid  65 and name HG#  ) (resid  70 and name HB#  )    0.000    0.000    4.750
assign (resid  65 and name HG2# ) (resid  70 and name HB1  )    0.000    0.000    6.760
assign (resid  66 and name HN   ) (resid  66 and name HB#  )    0.000    0.000    2.950
assign (resid  66 and name HA   ) (resid  66 and name HB#  )    0.000    0.000    2.640
assign (resid  66 and name HB#  ) (resid  69 and name HN   )    0.000    0.000    4.430
assign (resid  66 and name HB#  ) (resid  69 and name HB#  )    0.000    0.000    5.020
assign (resid  66 and name HB1  ) (resid  69 and name HB2  )    0.000    0.000    6.040
assign (resid  66 and name HB1  ) (resid  69 and name HB1  )    0.000    0.000    6.040
assign (resid  67 and name HG2# ) (resid  82 and name HG#  )    0.000    0.000    5.080
assign (resid  68 and name HB#  ) (resid  69 and name HN   )    0.000    0.000    3.440
assign (resid  70 and name HN   ) (resid  70 and name HB#  )    0.000    0.000    3.010
assign (resid  70 and name HN   ) (resid  70 and name HD#  )    0.000    0.000    7.880
assign (resid  70 and name HD#  ) (resid  71 and name HN   )    0.000    0.000    8.100
assign (resid  72 and name HN   ) (resid  72 and name HB#  )    0.000    0.000    3.500
assign (resid  72 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    8.090
assign (resid  72 and name HA   ) (resid  72 and name HB#  )    0.000    0.000    2.650
assign (resid  72 and name HB#  ) (resid  73 and name HN   )    0.000    0.000    4.520
assign (resid  73 and name HN   ) (resid  73 and name HG#  )    0.000    0.000    4.220
assign (resid  73 and name HA   ) (resid  76 and name HB#  )    0.000    0.000    3.260
assign (resid  73 and name HG#  ) (resid  74 and name HN   )    0.000    0.000    5.620
assign (resid  73 and name HG#  ) (resid  74 and name HA   )    0.000    0.000    6.660
assign (resid  73 and name HG#  ) (resid  74 and name HB#  )    0.000    0.000    9.120
assign (resid  73 and name HG#  ) (resid  77 and name HD1  )    0.000    0.000    4.720
assign (resid  73 and name HG#  ) (resid  77 and name HE1  )    0.000    0.000    6.540
assign (resid  74 and name HA   ) (resid  79 and name HG1# )    0.000    0.000    4.150
assign (resid  74 and name HB#  ) (resid  79 and name HG1# )    0.000    0.000    5.950
assign (resid  76 and name HN   ) (resid  76 and name HB#  )    0.000    0.000    3.020
assign (resid  76 and name HB#  ) (resid  77 and name HD1  )    0.000    0.000    4.400
assign (resid  77 and name HN   ) (resid  77 and name HB#  )    0.000    0.000    3.360
assign (resid  77 and name HA   ) (resid  77 and name HB#  )    0.000    0.000    2.650
assign (resid  77 and name HB#  ) (resid  79 and name HG1# )    0.000    0.000    6.010
assign (resid  77 and name HZ3  ) (resid  88 and name HD#  )    0.000    0.000    6.890
assign (resid  77 and name HZ3  ) (resid  93 and name HG1# )    0.000    0.000    6.220
assign (resid  77 and name HZ2  ) (resid  88 and name HD#  )    0.000    0.000    7.660
assign (resid  77 and name HH2  ) (resid  88 and name HD#  )    0.000    0.000    4.960
assign (resid  79 and name HN   ) (resid  79 and name HG1# )    0.000    0.000    3.740
assign (resid  79 and name HA   ) (resid  79 and name HG1# )    0.000    0.000    3.880
assign (resid  80 and name HN   ) (resid  80 and name HB#  )    0.000    0.000    3.330
assign (resid  80 and name HB#  ) (resid  81 and name HN   )    0.000    0.000    3.900
assign (resid  82 and name HN   ) (resid  82 and name HB#  )    0.000    0.000    3.360
assign (resid  82 and name HN   ) (resid  82 and name HG#  )    0.000    0.000    4.910
assign (resid  82 and name HA   ) (resid  82 and name HB#  )    0.000    0.000    2.670
assign (resid  82 and name HB#  ) (resid  83 and name HA   )    0.000    0.000    3.330
assign (resid  82 and name HB#  ) (resid  83 and name HB#  )    0.000    0.000    5.230
assign (resid  83 and name HB#  ) (resid  85 and name HZ   )    0.000    0.000    5.420
assign (resid  83 and name HG#  ) (resid 100 and name HN   )    0.000    0.000    6.380
assign (resid  83 and name HD#  ) (resid  99 and name HA#  )    0.000    0.000    6.510
assign (resid  83 and name HD#  ) (resid 100 and name HN   )    0.000    0.000    5.700
assign (resid  85 and name HN   ) (resid  85 and name HB#  )    0.000    0.000    3.200
assign (resid  85 and name HB#  ) (resid  97 and name HN   )    0.000    0.000    6.380
assign (resid  85 and name HB#  ) (resid  97 and name HB   )    0.000    0.000    3.930
assign (resid  85 and name HB#  ) (resid  97 and name HG#  )    0.000    0.000    6.770
assign (resid  85 and name HB2  ) (resid  97 and name HG1# )    0.000    0.000    8.470
assign (resid  85 and name HB1  ) (resid  97 and name HG1# )    0.000    0.000    8.470
assign (resid  85 and name HD#  ) (resid  97 and name HG#  )    0.000    0.000    9.000
assign (resid  85 and name HD#  ) (resid 105 and name HD#  )    0.000    0.000    9.970
assign (resid  85 and name HE#  ) (resid  97 and name HG#  )    0.000    0.000   10.210
assign (resid  85 and name HE#  ) (resid 105 and name HB#  )    0.000    0.000    7.600
assign (resid  85 and name HZ   ) (resid 105 and name HD#  )    0.000    0.000    6.730
assign (resid  86 and name HB#  ) (resid  87 and name HN   )    0.000    0.000    3.890
assign (resid  86 and name HG#  ) (resid  87 and name HN   )    0.000    0.000    4.360
assign (resid  86 and name HG#  ) (resid  93 and name HG2# )    0.000    0.000    5.980
assign (resid  86 and name HG#  ) (resid  93 and name HG1# )    0.000    0.000    4.860
assign (resid  86 and name HG2  ) (resid  93 and name HG12 )    0.000    0.000    5.890
assign (resid  86 and name HG1  ) (resid  93 and name HG12 )    0.000    0.000    5.890
assign (resid  87 and name HN   ) (resid  87 and name HB#  )    0.000    0.000    3.070
assign (resid  87 and name HB#  ) (resid  94 and name HN   )    0.000    0.000    6.380
assign (resid  87 and name HB#  ) (resid  94 and name HB#  )    0.000    0.000    4.440
assign (resid  87 and name HB#  ) (resid  95 and name HN   )    0.000    0.000    4.150
assign (resid  87 and name HB#  ) (resid  95 and name HB#  )    0.000    0.000    4.650
assign (resid  87 and name HB1  ) (resid  95 and name HB2  )    0.000    0.000    6.100
assign (resid  87 and name HD#  ) (resid  95 and name HB#  )    0.000    0.000    7.330
assign (resid  87 and name HD#  ) (resid  97 and name HG#  )    0.000    0.000    9.000
assign (resid  88 and name HN   ) (resid  93 and name HG1# )    0.000    0.000    6.220
assign (resid  88 and name HA   ) (resid  93 and name HG1# )    0.000    0.000    5.110
assign (resid  88 and name HB#  ) (resid  93 and name HG1# )    0.000    0.000    4.990
assign (resid  88 and name HD#  ) (resid  93 and name HA   )    0.000    0.000    5.680
assign (resid  88 and name HD#  ) (resid  93 and name HG1# )    0.000    0.000    6.400
assign (resid  88 and name HD2# ) (resid  93 and name HG12 )    0.000    0.000    8.120
assign (resid  88 and name HD2# ) (resid  93 and name HG11 )    0.000    0.000    8.120
assign (resid  89 and name HN   ) (resid  94 and name HD#  )    0.000    0.000    6.060
assign (resid  89 and name HA   ) (resid  89 and name HG#  )    0.000    0.000    3.050
assign (resid  89 and name HB#  ) (resid  89 and name HE#  )    0.000    0.000    7.260
assign (resid  89 and name HB#  ) (resid  90 and name HN   )    0.000    0.000    5.420
assign (resid  89 and name HB#  ) (resid  94 and name HD#  )    0.000    0.000    3.760
assign (resid  89 and name HB1  ) (resid  94 and name HD2# )    0.000    0.000    5.390
assign (resid  89 and name HG#  ) (resid  90 and name HG#  )    0.000    0.000    4.180
assign (resid  89 and name HG1  ) (resid  90 and name HG2  )    0.000    0.000    5.140
assign (resid  89 and name HG1  ) (resid  90 and name HG1  )    0.000    0.000    5.140
assign (resid  89 and name HG#  ) (resid 112 and name HE1  )    0.000    0.000    6.130
assign (resid  90 and name HN   ) (resid  90 and name HG#  )    0.000    0.000    4.500
assign (resid  90 and name HA   ) (resid  90 and name HG#  )    0.000    0.000    3.170
assign (resid  90 and name HB#  ) (resid  90 and name HG#  )    0.000    0.000    2.470
assign (resid  92 and name HN   ) (resid  92 and name HG#  )    0.000    0.000    5.170
assign (resid  93 and name HN   ) (resid  93 and name HG1# )    0.000    0.000    3.810
assign (resid  93 and name HN   ) (resid  94 and name HD#  )    0.000    0.000    8.100
assign (resid  93 and name HA   ) (resid  93 and name HG1# )    0.000    0.000    3.530
assign (resid  93 and name HG1# ) (resid  94 and name HN   )    0.000    0.000    6.380
assign (resid  94 and name HN   ) (resid  94 and name HB#  )    0.000    0.000    3.250
assign (resid  94 and name HN   ) (resid  94 and name HD#  )    0.000    0.000    5.730
assign (resid  94 and name HA   ) (resid  94 and name HB#  )    0.000    0.000    2.680
assign (resid  94 and name HA   ) (resid  94 and name HD#  )    0.000    0.000    3.880
assign (resid  94 and name HB#  ) (resid  95 and name HN   )    0.000    0.000    4.150
assign (resid  94 and name HB#  ) (resid 112 and name HD2  )    0.000    0.000    5.510
assign (resid  94 and name HD#  ) (resid  95 and name HN   )    0.000    0.000    8.100
assign (resid  94 and name HD#  ) (resid 112 and name HE1  )    0.000    0.000    7.540
assign (resid  95 and name HN   ) (resid  95 and name HB#  )    0.000    0.000    3.530
assign (resid  95 and name HN   ) (resid  96 and name HG#  )    0.000    0.000    5.570
assign (resid  95 and name HB#  ) (resid  96 and name HN   )    0.000    0.000    3.200
assign (resid  95 and name HB#  ) (resid 108 and name HG2# )    0.000    0.000    4.380
assign (resid  96 and name HN   ) (resid  96 and name HG#  )    0.000    0.000    6.380
assign (resid  96 and name HN   ) (resid  97 and name HG#  )    0.000    0.000    8.090
assign (resid  97 and name HG#  ) (resid  98 and name HN   )    0.000    0.000    6.070
assign (resid  97 and name HG#  ) (resid 104 and name HN   )    0.000    0.000    8.090
assign (resid  97 and name HG#  ) (resid 104 and name HB#  )    0.000    0.000    6.790
assign (resid  97 and name HG#  ) (resid 104 and name HG#  )    0.000    0.000    7.260
assign (resid  97 and name HG#  ) (resid 105 and name HN   )    0.000    0.000    6.750
assign (resid  97 and name HG#  ) (resid 105 and name HA   )    0.000    0.000    5.730
assign (resid  97 and name HG#  ) (resid 108 and name HB   )    0.000    0.000    6.630
assign (resid  97 and name HG#  ) (resid 108 and name HG2# )    0.000    0.000    7.810
assign (resid  98 and name HN   ) (resid  98 and name HG#  )    0.000    0.000    4.340
assign (resid  98 and name HG#  ) (resid  99 and name HN   )    0.000    0.000    6.380
assign (resid  99 and name HA#  ) (resid 100 and name HN   )    0.000    0.000    3.230
assign (resid 101 and name HN   ) (resid 101 and name HB#  )    0.000    0.000    3.240
assign (resid 101 and name HN   ) (resid 101 and name HG#  )    0.000    0.000    4.140
assign (resid 101 and name HA   ) (resid 101 and name HD#  )    0.000    0.000    4.210
assign (resid 101 and name HB#  ) (resid 101 and name HD#  )    0.000    0.000    3.470
assign (resid 101 and name HB#  ) (resid 101 and name HE#  )    0.000    0.000    6.200
assign (resid 101 and name HB#  ) (resid 102 and name HN   )    0.000    0.000    5.200
assign (resid 101 and name HB#  ) (resid 103 and name HN   )    0.000    0.000    5.480
assign (resid 101 and name HB#  ) (resid 104 and name HN   )    0.000    0.000    5.110
assign (resid 101 and name HG#  ) (resid 101 and name HD#  )    0.000    0.000    2.340
assign (resid 101 and name HG#  ) (resid 104 and name HN   )    0.000    0.000    6.380
assign (resid 102 and name HN   ) (resid 102 and name HB#  )    0.000    0.000    3.040
assign (resid 102 and name HN   ) (resid 102 and name HG#  )    0.000    0.000    3.940
assign (resid 102 and name HA   ) (resid 102 and name HD#  )    0.000    0.000    6.380
assign (resid 102 and name HA   ) (resid 105 and name HB#  )    0.000    0.000    3.990
assign (resid 102 and name HB#  ) (resid 103 and name HN   )    0.000    0.000    3.640
assign (resid 103 and name HA   ) (resid 106 and name HB#  )    0.000    0.000    4.240
assign (resid 105 and name HN   ) (resid 105 and name HB#  )    0.000    0.000    2.730
assign (resid 105 and name HA   ) (resid 105 and name HD#  )    0.000    0.000    4.380
assign (resid 105 and name HB#  ) (resid 106 and name HN   )    0.000    0.000    3.060
assign (resid 105 and name HG   ) (resid 106 and name HE2# )    0.000    0.000    6.370
assign (resid 105 and name HD#  ) (resid 106 and name HA   )    0.000    0.000    6.550
assign (resid 105 and name HD#  ) (resid 106 and name HB#  )    0.000    0.000    7.800
assign (resid 105 and name HD#  ) (resid 106 and name HG#  )    0.000    0.000    6.630
assign (resid 105 and name HD1# ) (resid 106 and name HG2  )    0.000    0.000    8.300
assign (resid 105 and name HD1# ) (resid 106 and name HG1  )    0.000    0.000    8.300
assign (resid 105 and name HD#  ) (resid 109 and name HN   )    0.000    0.000    8.100
assign (resid 105 and name HD#  ) (resid 109 and name HG1# )    0.000    0.000    6.660
assign (resid 105 and name HD1# ) (resid 109 and name HG12 )    0.000    0.000    8.460
assign (resid 105 and name HD1# ) (resid 109 and name HG11 )    0.000    0.000    8.460
assign (resid 105 and name HD#  ) (resid 109 and name HD1# )    0.000    0.000    6.650
assign (resid 106 and name HN   ) (resid 106 and name HB#  )    0.000    0.000    3.480
assign (resid 106 and name HA   ) (resid 106 and name HB#  )    0.000    0.000    2.710
assign (resid 106 and name HA   ) (resid 106 and name HG#  )    0.000    0.000    3.540
assign (resid 106 and name HB#  ) (resid 106 and name HG#  )    0.000    0.000    2.450
assign (resid 106 and name HB#  ) (resid 107 and name HN   )    0.000    0.000    4.050
assign (resid 106 and name HG#  ) (resid 107 and name HN   )    0.000    0.000    6.380
assign (resid 108 and name HA   ) (resid 111 and name HB#  )    0.000    0.000    3.120
assign (resid 108 and name HB   ) (resid 111 and name HD#  )    0.000    0.000    5.480
assign (resid 108 and name HG2# ) (resid 111 and name HD#  )    0.000    0.000    5.690
assign (resid 109 and name HN   ) (resid 109 and name HG1# )    0.000    0.000    3.910
assign (resid 109 and name HA   ) (resid 109 and name HG1# )    0.000    0.000    3.480
assign (resid 109 and name HG2# ) (resid 112 and name HB#  )    0.000    0.000    5.700
assign (resid 110 and name HA   ) (resid 113 and name HB#  )    0.000    0.000    3.590
assign (resid 110 and name HA   ) (resid 113 and name HD#  )    0.000    0.000    6.050
assign (resid 111 and name HN   ) (resid 111 and name HG#  )    0.000    0.000    6.160
assign (resid 111 and name HN   ) (resid 113 and name HD#  )    0.000    0.000    8.100
assign (resid 111 and name HA   ) (resid 111 and name HG#  )    0.000    0.000    3.760
assign (resid 111 and name HA   ) (resid 111 and name HD#  )    0.000    0.000    6.380
assign (resid 111 and name HB#  ) (resid 111 and name HE#  )    0.000    0.000    7.260
assign (resid 111 and name HB#  ) (resid 112 and name HD2  )    0.000    0.000    4.370
assign (resid 112 and name HN   ) (resid 112 and name HB#  )    0.000    0.000    3.180
assign (resid 112 and name HN   ) (resid 113 and name HD#  )    0.000    0.000    8.100
assign (resid 112 and name HB#  ) (resid 112 and name HE1  )    0.000    0.000    4.940
assign (resid 112 and name HB#  ) (resid 113 and name HN   )    0.000    0.000    5.670
assign (resid 113 and name HN   ) (resid 113 and name HD#  )    0.000    0.000    7.540
assign (resid 113 and name HA   ) (resid 113 and name HB#  )    0.000    0.000    2.640
assign (resid  40 and name SG   ) (resid  43 and name SG   )    2.000    0.000    0.100
assign (resid  40 and name SG   ) (resid  43 and name CB   )    3.000    0.000    0.100
assign (resid  40 and name CB   ) (resid  43 and name SG   )    3.000    0.000    0.100


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  -6.970   8.381 -25.291
    2    HA   MET   1           HA       MET   1  -7.540   9.244 -22.622
    3   1HB   MET   1          2HB       MET   1  -8.462   6.808 -24.153
    4   2HB   MET   1          1HB       MET   1  -9.068   7.319 -22.581
    5   1HG   MET   1          2HG       MET   1  -9.919   9.381 -23.530
    6   2HG   MET   1          1HG       MET   1  -9.243   8.964 -25.096
    7   1HE   MET   1          1HE       MET   1 -12.778   6.760 -23.104
    8   2HE   MET   1          2HE       MET   1 -11.936   8.135 -22.393
    9   3HE   MET   1          3HE       MET   1 -11.115   6.583 -22.555
   10    H    ALA   2           H        ALA   2  -6.002   8.970 -21.240
   11    HA   ALA   2           HA       ALA   2  -4.488   6.480 -21.241
   12   1HB   ALA   2          1HB       ALA   2  -3.155   8.534 -21.315
   13   2HB   ALA   2          2HB       ALA   2  -2.894   7.670 -19.798
   14   3HB   ALA   2          3HB       ALA   2  -3.934   9.095 -19.838
   15    H    SER   3           H        SER   3  -5.377   5.003 -20.002
   16    HA   SER   3           HA       SER   3  -6.115   5.767 -17.314
   17   1HB   SER   3          2HB       SER   3  -7.841   4.044 -19.106
   18   2HB   SER   3          1HB       SER   3  -8.163   4.419 -17.408
   19    HG   SER   3           HG       SER   3  -7.688   6.671 -18.583
   20    H    GLU   4           H        GLU   4  -4.225   4.935 -16.702
   21    HA   GLU   4           HA       GLU   4  -3.580   2.186 -17.380
   22   1HB   GLU   4          2HB       GLU   4  -1.935   3.991 -17.739
   23   2HB   GLU   4          1HB       GLU   4  -1.974   4.338 -16.024
   24   1HG   GLU   4          2HG       GLU   4  -1.071   2.119 -15.560
   25   2HG   GLU   4          1HG       GLU   4  -1.033   1.786 -17.292
   26    H    GLU   5           H        GLU   5  -4.789   0.962 -16.029
   27    HA   GLU   5           HA       GLU   5  -4.483   1.473 -13.196
   28   1HB   GLU   5          2HB       GLU   5  -6.495  -0.231 -13.105
   29   2HB   GLU   5          1HB       GLU   5  -6.768   1.471 -13.422
   30   1HG   GLU   5          2HG       GLU   5  -8.095  -0.060 -14.859
   31   2HG   GLU   5          1HG       GLU   5  -7.080   1.061 -15.755
   32    H    GLY   6           H        GLY   6  -4.626  -0.620 -11.874
   33   1HA   GLY   6          2HA       GLY   6  -3.861  -2.780 -11.484
   34   2HA   GLY   6          1HA       GLY   6  -3.338  -2.878 -13.161
   35    H    GLN   7           H        GLN   7  -2.272  -0.042 -11.782
   36    HA   GLN   7           HA       GLN   7   0.207  -1.353 -11.127
   37   1HB   GLN   7          2HB       GLN   7   1.423   0.699 -11.919
   38   2HB   GLN   7          1HB       GLN   7   0.761  -0.367 -13.136
   39   1HG   GLN   7          2HG       GLN   7   0.389   1.880 -13.869
   40   2HG   GLN   7          1HG       GLN   7  -1.168   1.267 -13.332
   41   1HE2  GLN   7          1HE2      GLN   7  -1.977   3.360 -13.007
   42   2HE2  GLN   7          2HE2      GLN   7  -1.423   4.328 -11.689
   43    H    VAL   8           H        VAL   8   1.494  -0.634  -9.683
   44    HA   VAL   8           HA       VAL   8   0.292   1.011  -7.541
   45    HB   VAL   8           HB       VAL   8   2.194  -1.346  -7.289
   46   1HG1  VAL   8          1HG1      VAL   8   0.689   0.192  -5.212
   47   2HG1  VAL   8          2HG1      VAL   8   2.420   0.259  -5.509
   48   3HG1  VAL   8          3HG1      VAL   8   1.672  -1.240  -4.923
   49   1HG2  VAL   8          1HG2      VAL   8   0.313  -2.613  -6.371
   50   2HG2  VAL   8          2HG2      VAL   8   0.006  -2.125  -8.039
   51   3HG2  VAL   8          3HG2      VAL   8  -0.764  -1.259  -6.711
   52    H    ILE   9           H        ILE   9   1.822   2.629  -6.580
   53    HA   ILE   9           HA       ILE   9   4.075   2.907  -8.332
   54    HB   ILE   9           HB       ILE   9   2.995   4.818  -6.234
   55   1HG1  ILE   9          2HG1      ILE   9   2.707   6.318  -8.229
   56   2HG1  ILE   9          1HG1      ILE   9   3.149   4.973  -9.251
   57   1HG2  ILE   9          1HG2      ILE   9   4.692   6.438  -6.975
   58   2HG2  ILE   9          2HG2      ILE   9   5.431   5.189  -7.980
   59   3HG2  ILE   9          3HG2      ILE   9   5.416   5.016  -6.226
   60   1HD1  ILE   9          1HD1      ILE   9   0.751   5.279  -9.211
   61   2HD1  ILE   9          2HD1      ILE   9   0.737   5.120  -7.455
   62   3HD1  ILE   9          3HD1      ILE   9   1.179   3.742  -8.461
   63    H    ALA  10           H        ALA  10   5.904   2.028  -7.903
   64    HA   ALA  10           HA       ALA  10   6.488   1.154  -5.193
   65   1HB   ALA  10          1HB       ALA  10   7.959   0.587  -7.764
   66   2HB   ALA  10          2HB       ALA  10   6.746  -0.462  -7.029
   67   3HB   ALA  10          3HB       ALA  10   8.275  -0.164  -6.198
   68    H    CYS  11           H        CYS  11   7.525   2.481  -3.888
   69    HA   CYS  11           HA       CYS  11   9.086   4.594  -5.016
   70   1HB   CYS  11          2HB       CYS  11   8.596   3.949  -2.125
   71   2HB   CYS  11          1HB       CYS  11   9.141   5.428  -2.842
   72    HG   CYS  11           HG       CYS  11   6.034   4.254  -3.623
   73    H    HIS  12           H        HIS  12  11.111   4.163  -5.475
   74    HA   HIS  12           HA       HIS  12  12.520   2.243  -3.817
   75   1HB   HIS  12          2HB       HIS  12  13.184   3.305  -6.567
   76   2HB   HIS  12          1HB       HIS  12  14.291   2.311  -5.623
   77    HD1  HIS  12           1HD      HIS  12  13.811  -0.163  -5.469
   78    HD2  HIS  12           2HD      HIS  12  10.931   1.926  -7.615
   79    HE1  HIS  12           1HE      HIS  12  12.392  -1.920  -6.617
   80    HE2  HIS  12           2HE      HIS  12  10.653  -0.650  -7.873
   81    H    THR  13           H        THR  13  11.848   5.287  -3.730
   82    HA   THR  13           HA       THR  13  14.331   6.061  -2.486
   83    HB   THR  13           HB       THR  13  14.208   8.296  -3.637
   84    HG1  THR  13           1HG      THR  13  12.742   7.100  -5.703
   85   1HG2  THR  13          1HG2      THR  13  14.704   5.935  -5.471
   86   2HG2  THR  13          2HG2      THR  13  15.882   6.655  -4.375
   87   3HG2  THR  13          3HG2      THR  13  15.275   7.578  -5.751
   88    H    VAL  14           H        VAL  14  13.950   7.937  -1.110
   89    HA   VAL  14           HA       VAL  14  11.380   7.808   0.116
   90    HB   VAL  14           HB       VAL  14  13.612   9.764   0.622
   91   1HG1  VAL  14          1HG1      VAL  14  11.494  10.526   1.561
   92   2HG1  VAL  14          2HG1      VAL  14  12.594  10.041   2.855
   93   3HG1  VAL  14          3HG1      VAL  14  11.279   8.974   2.375
   94   1HG2  VAL  14          1HG2      VAL  14  14.401   7.481   0.933
   95   2HG2  VAL  14          2HG2      VAL  14  13.044   7.143   2.002
   96   3HG2  VAL  14          3HG2      VAL  14  14.278   8.307   2.483
   97    H    GLU  15           H        GLU  15  12.871   9.873  -2.328
   98    HA   GLU  15           HA       GLU  15  11.359  12.115  -2.055
   99   1HB   GLU  15          2HB       GLU  15  12.613  10.789  -4.448
  100   2HB   GLU  15          1HB       GLU  15  11.935  12.396  -4.416
  101   1HG   GLU  15          2HG       GLU  15  14.371  12.485  -4.285
  102   2HG   GLU  15          1HG       GLU  15  13.644  13.094  -2.802
  103    H    THR  16           H        THR  16  10.876   9.215  -4.122
  104    HA   THR  16           HA       THR  16   8.443  10.077  -5.243
  105    HB   THR  16           HB       THR  16   9.369   7.226  -4.777
  106    HG1  THR  16           1HG      THR  16  10.130   9.248  -6.523
  107   1HG2  THR  16          1HG2      THR  16   7.008   7.419  -5.473
  108   2HG2  THR  16          2HG2      THR  16   7.996   6.724  -6.758
  109   3HG2  THR  16          3HG2      THR  16   7.496   8.412  -6.844
  110    H    TRP  17           H        TRP  17   9.207   8.158  -2.391
  111    HA   TRP  17           HA       TRP  17   6.667   7.414  -1.566
  112   1HB   TRP  17          2HB       TRP  17   8.644   6.458  -0.622
  113   2HB   TRP  17          1HB       TRP  17   9.223   8.026  -0.098
  114    HD1  TRP  17           HD       TRP  17   9.082   8.276   2.395
  115    HE1  TRP  17           1HE      TRP  17   7.570   7.424   4.266
  116    HE3  TRP  17           3HE      TRP  17   5.747   5.628  -0.416
  117    HZ2  TRP  17           2HZ      TRP  17   5.255   5.849   4.536
  118    HZ3  TRP  17           3HZ      TRP  17   3.897   4.488   0.739
  119    HH2  TRP  17           HH       TRP  17   3.665   4.602   3.169
  120    H    ASN  18           H        ASN  18   8.571  10.227  -0.658
  121    HA   ASN  18           HA       ASN  18   6.727  11.524   1.005
  122   1HB   ASN  18          2HB       ASN  18   9.148  12.011   0.867
  123   2HB   ASN  18          1HB       ASN  18   8.902  12.690  -0.732
  124   1HD2  ASN  18          1HD2      ASN  18   8.572  13.124   2.608
  125   2HD2  ASN  18          2HD2      ASN  18   8.139  14.790   2.629
  126    H    GLU  19           H        GLU  19   7.495  11.899  -2.412
  127    HA   GLU  19           HA       GLU  19   5.936  14.072  -3.130
  128   1HB   GLU  19          2HB       GLU  19   7.732  12.938  -4.456
  129   2HB   GLU  19          1HB       GLU  19   6.604  11.644  -4.789
  130   1HG   GLU  19          2HG       GLU  19   6.756  13.108  -6.677
  131   2HG   GLU  19          1HG       GLU  19   5.151  13.235  -5.958
  132    H    GLN  20           H        GLN  20   5.092  10.562  -3.121
  133    HA   GLN  20           HA       GLN  20   2.595  11.016  -4.222
  134   1HB   GLN  20          2HB       GLN  20   3.956   8.770  -2.953
  135   2HB   GLN  20          1HB       GLN  20   2.321   8.622  -3.568
  136   1HG   GLN  20          2HG       GLN  20   4.836   9.278  -5.118
  137   2HG   GLN  20          1HG       GLN  20   3.893   7.795  -5.242
  138   1HE2  GLN  20          1HE2      GLN  20   1.929   7.846  -6.321
  139   2HE2  GLN  20          2HE2      GLN  20   1.492   9.123  -7.394
  140    H    LEU  21           H        LEU  21   3.734  10.493  -0.817
  141    HA   LEU  21           HA       LEU  21   1.201  10.221   0.225
  142   1HB   LEU  21          2HB       LEU  21   3.813  11.044   1.230
  143   2HB   LEU  21          1HB       LEU  21   2.427  10.931   2.273
  144    HG   LEU  21           HG       LEU  21   3.850   8.707   0.802
  145   1HD1  LEU  21          1HD1      LEU  21   4.293   7.883   3.055
  146   2HD1  LEU  21          2HD1      LEU  21   3.456   9.281   3.727
  147   3HD1  LEU  21          3HD1      LEU  21   4.948   9.501   2.808
  148   1HD2  LEU  21          1HD2      LEU  21   2.263   7.166   1.879
  149   2HD2  LEU  21          2HD2      LEU  21   1.451   8.246   0.755
  150   3HD2  LEU  21          3HD2      LEU  21   1.346   8.542   2.495
  151    H    GLN  22           H        GLN  22   3.315  12.994  -0.203
  152    HA   GLN  22           HA       GLN  22   1.713  14.811   1.158
  153   1HB   GLN  22          2HB       GLN  22   4.049  15.252   0.412
  154   2HB   GLN  22          1HB       GLN  22   3.472  15.347  -1.247
  155   1HG   GLN  22          2HG       GLN  22   3.819  17.563  -0.318
  156   2HG   GLN  22          1HG       GLN  22   2.111  17.289  -0.663
  157   1HE2  GLN  22          1HE2      GLN  22   4.501  17.648   1.827
  158   2HE2  GLN  22          2HE2      GLN  22   3.396  17.898   3.131
  159    H    LYS  23           H        LYS  23   1.750  13.768  -2.215
  160    HA   LYS  23           HA       LYS  23  -0.305  15.443  -3.141
  161   1HB   LYS  23          2HB       LYS  23   1.239  14.264  -4.612
  162   2HB   LYS  23          1HB       LYS  23   0.526  12.728  -4.147
  163   1HG   LYS  23          2HG       LYS  23  -1.615  13.443  -5.117
  164   2HG   LYS  23          1HG       LYS  23  -0.870  14.963  -5.605
  165   1HD   LYS  23          2HD       LYS  23   0.727  13.733  -6.991
  166   2HD   LYS  23          1HD       LYS  23  -0.036  12.214  -6.516
  167   1HE   LYS  23          2HE       LYS  23  -2.147  12.990  -7.529
  168   2HE   LYS  23          1HE       LYS  23  -1.345  14.483  -8.003
  169   1HZ   LYS  23          1HZ       LYS  23  -1.418  12.919  -9.833
  170   2HZ   LYS  23          2HZ       LYS  23  -0.552  11.781  -8.913
  171   3HZ   LYS  23          3HZ       LYS  23   0.169  13.231  -9.346
  172    H    ALA  24           H        ALA  24  -0.377  12.127  -1.801
  173    HA   ALA  24           HA       ALA  24  -3.106  11.674  -2.254
  174   1HB   ALA  24          1HB       ALA  24  -2.912   9.901  -0.585
  175   2HB   ALA  24          2HB       ALA  24  -1.368  10.562  -0.048
  176   3HB   ALA  24          3HB       ALA  24  -1.521   9.892  -1.672
  177    H    ASN  25           H        ASN  25  -1.403  13.245   0.317
  178    HA   ASN  25           HA       ASN  25  -3.543  13.544   2.173
  179   1HB   ASN  25          2HB       ASN  25  -1.034  13.862   2.560
  180   2HB   ASN  25          1HB       ASN  25  -1.220  15.368   1.748
  181   1HD2  ASN  25          1HD2      ASN  25  -0.635  16.577   3.535
  182   2HD2  ASN  25          2HD2      ASN  25  -1.708  16.819   4.861
  183    H    GLU  26           H        GLU  26  -2.013  15.709  -0.064
  184    HA   GLU  26           HA       GLU  26  -3.796  17.886   0.277
  185   1HB   GLU  26          2HB       GLU  26  -1.875  17.283  -1.943
  186   2HB   GLU  26          1HB       GLU  26  -2.787  18.783  -1.830
  187   1HG   GLU  26          2HG       GLU  26  -0.831  17.745   0.207
  188   2HG   GLU  26          1HG       GLU  26  -0.532  19.038  -0.957
  189    H    SER  27           H        SER  27  -3.763  15.368  -2.247
  190    HA   SER  27           HA       SER  27  -6.012  16.574  -3.544
  191   1HB   SER  27          2HB       SER  27  -4.627  13.947  -3.984
  192   2HB   SER  27          1HB       SER  27  -5.837  14.648  -5.055
  193    HG   SER  27           HG       SER  27  -3.630  16.222  -4.369
  194    H    LYS  28           H        LYS  28  -5.699  14.851  -0.776
  195    HA   LYS  28           HA       LYS  28  -7.067  13.715   0.598
  196   1HB   LYS  28          2HB       LYS  28  -9.114  14.823  -1.231
  197   2HB   LYS  28          1HB       LYS  28  -9.518  14.100   0.325
  198   1HG   LYS  28          2HG       LYS  28  -8.150  15.855   1.432
  199   2HG   LYS  28          1HG       LYS  28  -7.870  16.593  -0.147
  200   1HD   LYS  28          2HD       LYS  28 -10.287  16.908  -0.403
  201   2HD   LYS  28          1HD       LYS  28 -10.541  16.201   1.189
  202   1HE   LYS  28          2HE       LYS  28 -10.613  18.630   1.325
  203   2HE   LYS  28          1HE       LYS  28  -9.224  17.996   2.198
  204   1HZ   LYS  28          1HZ       LYS  28  -7.797  18.633   0.321
  205   2HZ   LYS  28          2HZ       LYS  28  -8.637  19.940   0.904
  206   3HZ   LYS  28          3HZ       LYS  28  -9.131  19.210  -0.529
  207    H    THR  29           H        THR  29  -5.879  12.296  -1.397
  208    HA   THR  29           HA       THR  29  -7.818  10.485  -2.554
  209    HB   THR  29           HB       THR  29  -4.853  10.379  -2.642
  210    HG1  THR  29           1HG      THR  29  -6.749  11.932  -3.991
  211   1HG2  THR  29          1HG2      THR  29  -5.908   8.327  -3.373
  212   2HG2  THR  29          2HG2      THR  29  -5.224   9.134  -4.785
  213   3HG2  THR  29          3HG2      THR  29  -6.959   9.214  -4.473
  214    H    LEU  30           H        LEU  30  -7.890   8.453  -2.033
  215    HA   LEU  30           HA       LEU  30  -7.141   7.778   0.628
  216   1HB   LEU  30          2HB       LEU  30  -9.395   7.217  -0.323
  217   2HB   LEU  30          1HB       LEU  30  -8.639   6.149  -1.469
  218    HG   LEU  30           HG       LEU  30  -8.725   5.674   1.531
  219   1HD1  LEU  30          1HD1      LEU  30 -10.431   4.010   0.985
  220   2HD1  LEU  30          2HD1      LEU  30 -10.423   4.555  -0.693
  221   3HD1  LEU  30          3HD1      LEU  30 -10.947   5.648   0.590
  222   1HD2  LEU  30          1HD2      LEU  30  -8.099   3.383   0.973
  223   2HD2  LEU  30          2HD2      LEU  30  -6.870   4.496   0.364
  224   3HD2  LEU  30          3HD2      LEU  30  -8.063   3.797  -0.736
  225    H    VAL  31           H        VAL  31  -5.322   6.400   1.047
  226    HA   VAL  31           HA       VAL  31  -3.973   5.315  -1.290
  227    HB   VAL  31           HB       VAL  31  -2.920   7.425  -0.702
  228   1HG1  VAL  31          1HG1      VAL  31  -3.515   7.609   1.624
  229   2HG1  VAL  31          2HG1      VAL  31  -1.773   7.794   1.418
  230   3HG1  VAL  31          3HG1      VAL  31  -2.429   6.275   2.024
  231   1HG2  VAL  31          1HG2      VAL  31  -1.447   5.689  -1.560
  232   2HG2  VAL  31          2HG2      VAL  31  -1.188   5.081   0.074
  233   3HG2  VAL  31          3HG2      VAL  31  -0.594   6.679  -0.375
  234    H    VAL  32           H        VAL  32  -3.056   3.364  -1.061
  235    HA   VAL  32           HA       VAL  32  -3.069   2.130   1.597
  236    HB   VAL  32           HB       VAL  32  -3.621   0.758  -1.006
  237   1HG1  VAL  32          1HG1      VAL  32  -3.727  -0.302   1.829
  238   2HG1  VAL  32          2HG1      VAL  32  -2.495  -0.676   0.632
  239   3HG1  VAL  32          3HG1      VAL  32  -4.161  -1.224   0.386
  240   1HG2  VAL  32          1HG2      VAL  32  -5.923   0.409  -0.174
  241   2HG2  VAL  32          2HG2      VAL  32  -5.534   2.116  -0.382
  242   3HG2  VAL  32          3HG2      VAL  32  -5.539   1.401   1.231
  243    H    VAL  33           H        VAL  33  -1.150   1.493   2.192
  244    HA   VAL  33           HA       VAL  33   0.961   1.363   0.142
  245    HB   VAL  33           HB       VAL  33   1.244   2.064   3.068
  246   1HG1  VAL  33          1HG1      VAL  33   3.221   0.990   2.158
  247   2HG1  VAL  33          2HG1      VAL  33   3.534   2.693   2.470
  248   3HG1  VAL  33          3HG1      VAL  33   3.245   2.134   0.820
  249   1HG2  VAL  33          1HG2      VAL  33   1.699   4.351   2.294
  250   2HG2  VAL  33          2HG2      VAL  33   0.072   3.831   1.861
  251   3HG2  VAL  33          3HG2      VAL  33   1.342   3.860   0.639
  252    H    ASP  34           H        ASP  34   2.107  -0.449  -0.003
  253    HA   ASP  34           HA       ASP  34   1.770  -2.515   2.048
  254   1HB   ASP  34          2HB       ASP  34   0.924  -3.318  -0.035
  255   2HB   ASP  34          1HB       ASP  34   2.312  -2.699  -0.912
  256    H    PHE  35           H        PHE  35   3.436  -2.587   3.381
  257    HA   PHE  35           HA       PHE  35   6.087  -1.864   2.455
  258   1HB   PHE  35          2HB       PHE  35   5.009  -2.659   5.170
  259   2HB   PHE  35          1HB       PHE  35   6.655  -2.151   4.830
  260    HD1  PHE  35           1HD      PHE  35   7.172   0.195   4.452
  261    HD2  PHE  35           2HD      PHE  35   3.178  -1.063   5.225
  262    HE1  PHE  35           1HE      PHE  35   6.527   2.526   4.892
  263    HE2  PHE  35           2HE      PHE  35   2.527   1.269   5.664
  264    HZ   PHE  35           HZ       PHE  35   4.209   3.068   5.497
  265    H    THR  36           H        THR  36   7.330  -3.453   1.695
  266    HA   THR  36           HA       THR  36   6.913  -6.220   2.520
  267    HB   THR  36           HB       THR  36   5.144  -5.674   0.859
  268    HG1  THR  36           1HG      THR  36   5.324  -7.526   0.222
  269   1HG2  THR  36          1HG2      THR  36   7.467  -5.104  -0.972
  270   2HG2  THR  36          2HG2      THR  36   6.301  -3.925  -0.371
  271   3HG2  THR  36          3HG2      THR  36   5.777  -5.201  -1.469
  272    H    ALA  37           H        ALA  37   8.410  -7.571   0.963
  273    HA   ALA  37           HA       ALA  37  10.661  -6.015  -0.053
  274   1HB   ALA  37          1HB       ALA  37  11.003  -8.473   1.668
  275   2HB   ALA  37          2HB       ALA  37  11.391  -6.818   2.145
  276   3HB   ALA  37          3HB       ALA  37  12.294  -7.598   0.847
  277    H    SER  38           H        SER  38  11.406  -6.728  -1.936
  278    HA   SER  38           HA       SER  38   9.897  -8.615  -3.372
  279   1HB   SER  38          2HB       SER  38  11.039  -6.735  -4.459
  280   2HB   SER  38          1HB       SER  38  12.602  -7.402  -4.026
  281    HG   SER  38           HG       SER  38  12.518  -8.530  -5.722
  282    H    TRP  39           H        TRP  39  12.753  -8.984  -1.405
  283    HA   TRP  39           HA       TRP  39  13.172 -11.662  -2.395
  284   1HB   TRP  39          2HB       TRP  39  15.031 -11.789  -0.692
  285   2HB   TRP  39          1HB       TRP  39  15.206 -10.545  -1.908
  286    HD1  TRP  39           HD       TRP  39  15.838  -8.282  -1.048
  287    HE1  TRP  39           1HE      TRP  39  15.979  -7.112   1.235
  288    HE3  TRP  39           3HE      TRP  39  13.564 -11.832   1.836
  289    HZ2  TRP  39           2HZ      TRP  39  15.204  -7.601   3.895
  290    HZ3  TRP  39           3HZ      TRP  39  13.299 -11.399   4.244
  291    HH2  TRP  39           HH       TRP  39  14.104  -9.318   5.249
  292    H    CYS  40           H        CYS  40  10.851 -10.569  -0.602
  293    HA   CYS  40           HA       CYS  40  10.925 -12.687   1.404
  294   1HB   CYS  40          2HB       CYS  40  10.364 -10.536   2.291
  295   2HB   CYS  40          1HB       CYS  40   9.145 -10.259   1.064
  296    H    GLY  41           H        GLY  41   9.846 -14.511   1.106
  297   1HA   GLY  41          2HA       GLY  41   8.721 -15.208  -1.356
  298   2HA   GLY  41          1HA       GLY  41   8.621 -16.151   0.116
  299    HA   PRO  42           HA       PRO  42   4.274 -15.419   0.601
  300   1HB   PRO  42          2HB       PRO  42   4.709 -13.883   3.114
  301   2HB   PRO  42          1HB       PRO  42   3.703 -15.310   2.843
  302   1HG   PRO  42          2HG       PRO  42   5.996 -15.555   4.140
  303   2HG   PRO  42          1HG       PRO  42   5.521 -16.769   2.938
  304   1HD   PRO  42          2HD       PRO  42   7.482 -14.518   2.680
  305   2HD   PRO  42          1HD       PRO  42   7.618 -16.197   2.106
  306    H    CYS  43           H        CYS  43   6.296 -12.682   1.259
  307    HA   CYS  43           HA       CYS  43   4.380 -10.619   0.928
  308   1HB   CYS  43          2HB       CYS  43   7.338 -10.558   0.398
  309   2HB   CYS  43          1HB       CYS  43   6.315  -9.162   0.690
  310    H    ARG  44           H        ARG  44   6.507 -12.334  -1.304
  311    HA   ARG  44           HA       ARG  44   5.874 -10.664  -3.541
  312   1HB   ARG  44          2HB       ARG  44   8.003 -12.074  -3.126
  313   2HB   ARG  44          1HB       ARG  44   7.048 -13.458  -3.594
  314   1HG   ARG  44          2HG       ARG  44   7.652 -11.073  -5.349
  315   2HG   ARG  44          1HG       ARG  44   8.492 -12.612  -5.396
  316   1HD   ARG  44          2HD       ARG  44   6.436 -13.712  -6.105
  317   2HD   ARG  44          1HD       ARG  44   5.566 -12.180  -5.995
  318    HE   ARG  44           HE       ARG  44   7.886 -12.175  -7.680
  319   1HH1  ARG  44          1HH1      ARG  44   4.369 -12.667  -7.600
  320   2HH1  ARG  44          2HH1      ARG  44   4.162 -12.296  -9.250
  321   1HH2  ARG  44          1HH2      ARG  44   7.577 -11.713  -9.923
  322   2HH2  ARG  44          2HH2      ARG  44   6.010 -11.754 -10.603
  323    H    PHE  45           H        PHE  45   4.744 -13.634  -2.109
  324    HA   PHE  45           HA       PHE  45   3.094 -14.536  -4.218
  325   1HB   PHE  45          2HB       PHE  45   3.818 -16.011  -2.397
  326   2HB   PHE  45          1HB       PHE  45   2.901 -15.058  -1.238
  327    HD1  PHE  45           1HD      PHE  45   2.663 -17.419  -4.048
  328    HD2  PHE  45           2HD      PHE  45   0.544 -15.376  -0.973
  329    HE1  PHE  45           1HE      PHE  45   0.720 -18.875  -4.419
  330    HE2  PHE  45           2HE      PHE  45  -1.404 -16.833  -1.344
  331    HZ   PHE  45           HZ       PHE  45  -1.313 -18.588  -3.074
  332    H    ILE  46           H        ILE  46   2.555 -12.274  -1.596
  333    HA   ILE  46           HA       ILE  46  -0.287 -12.149  -2.133
  334    HB   ILE  46           HB       ILE  46   0.688 -12.003   0.188
  335   1HG1  ILE  46          2HG1      ILE  46  -0.752 -10.101   0.967
  336   2HG1  ILE  46          1HG1      ILE  46  -1.038  -9.707  -0.727
  337   1HG2  ILE  46          1HG2      ILE  46   2.608 -10.638  -0.256
  338   2HG2  ILE  46          2HG2      ILE  46   1.597  -9.887   0.980
  339   3HG2  ILE  46          3HG2      ILE  46   1.578  -9.270  -0.680
  340   1HD1  ILE  46          1HD1      ILE  46  -1.676 -12.280   0.627
  341   2HD1  ILE  46          2HD1      ILE  46  -2.032 -11.894  -1.063
  342   3HD1  ILE  46          3HD1      ILE  46  -2.848 -11.018   0.248
  343    H    ALA  47           H        ALA  47   2.511 -10.697  -3.296
  344    HA   ALA  47           HA       ALA  47   1.833  -8.044  -3.709
  345   1HB   ALA  47          1HB       ALA  47   3.648  -9.680  -5.472
  346   2HB   ALA  47          2HB       ALA  47   4.115  -8.941  -3.943
  347   3HB   ALA  47          3HB       ALA  47   3.644  -7.925  -5.304
  348    HA   PRO  48           HA       PRO  48   0.177  -9.173  -8.243
  349   1HB   PRO  48          2HB       PRO  48  -1.173 -11.575  -8.280
  350   2HB   PRO  48          1HB       PRO  48   0.473 -11.345  -8.874
  351   1HG   PRO  48          2HG       PRO  48  -0.451 -12.349  -6.214
  352   2HG   PRO  48          1HG       PRO  48   0.820 -12.999  -7.270
  353   1HD   PRO  48          2HD       PRO  48   1.470 -11.531  -5.173
  354   2HD   PRO  48          1HD       PRO  48   2.311 -11.283  -6.719
  355    H    PHE  49           H        PHE  49  -1.275 -10.234  -5.283
  356    HA   PHE  49           HA       PHE  49  -3.958  -9.717  -6.109
  357   1HB   PHE  49          2HB       PHE  49  -3.496 -11.332  -4.313
  358   2HB   PHE  49          1HB       PHE  49  -2.843 -10.041  -3.310
  359    HD1  PHE  49           1HD      PHE  49  -4.235  -8.898  -1.853
  360    HD2  PHE  49           2HD      PHE  49  -5.932 -11.085  -5.082
  361    HE1  PHE  49           1HE      PHE  49  -6.483  -8.445  -0.974
  362    HE2  PHE  49           2HE      PHE  49  -8.180 -10.636  -4.209
  363    HZ   PHE  49           HZ       PHE  49  -8.460  -9.315  -2.158
  364    H    PHE  50           H        PHE  50  -1.487  -7.910  -4.440
  365    HA   PHE  50           HA       PHE  50  -3.149  -5.630  -3.801
  366   1HB   PHE  50          2HB       PHE  50  -0.962  -6.318  -2.653
  367   2HB   PHE  50          1HB       PHE  50  -0.131  -5.761  -4.092
  368    HD1  PHE  50           1HD      PHE  50  -2.392  -4.679  -1.380
  369    HD2  PHE  50           2HD      PHE  50   0.485  -3.497  -4.278
  370    HE1  PHE  50           1HE      PHE  50  -2.314  -2.459  -0.379
  371    HE2  PHE  50           2HE      PHE  50   0.564  -1.245  -3.263
  372    HZ   PHE  50           HZ       PHE  50  -0.836  -0.730  -1.315
  373    H    ALA  51           H        ALA  51  -1.157  -6.594  -6.495
  374    HA   ALA  51           HA       ALA  51  -1.417  -4.128  -7.926
  375   1HB   ALA  51          1HB       ALA  51  -0.610  -5.401  -9.868
  376   2HB   ALA  51          2HB       ALA  51  -0.842  -6.907  -8.980
  377   3HB   ALA  51          3HB       ALA  51   0.366  -5.744  -8.441
  378    H    ASP  52           H        ASP  52  -3.248  -7.045  -7.645
  379    HA   ASP  52           HA       ASP  52  -5.125  -6.735  -9.742
  380   1HB   ASP  52          2HB       ASP  52  -4.720  -8.794  -8.357
  381   2HB   ASP  52          1HB       ASP  52  -5.536  -7.992  -7.050
  382    H    LEU  53           H        LEU  53  -5.089  -5.843  -6.375
  383    HA   LEU  53           HA       LEU  53  -7.536  -4.552  -6.142
  384   1HB   LEU  53          2HB       LEU  53  -4.861  -4.206  -4.879
  385   2HB   LEU  53          1HB       LEU  53  -6.187  -3.328  -4.252
  386    HG   LEU  53           HG       LEU  53  -5.739  -6.279  -4.240
  387   1HD1  LEU  53          1HD1      LEU  53  -5.795  -5.992  -1.809
  388   2HD1  LEU  53          2HD1      LEU  53  -6.066  -4.265  -2.020
  389   3HD1  LEU  53          3HD1      LEU  53  -4.542  -4.980  -2.532
  390   1HD2  LEU  53          1HD2      LEU  53  -8.191  -4.790  -3.304
  391   2HD2  LEU  53          2HD2      LEU  53  -7.866  -6.506  -3.044
  392   3HD2  LEU  53          3HD2      LEU  53  -8.108  -5.896  -4.676
  393    H    ALA  54           H        ALA  54  -4.398  -3.274  -7.080
  394    HA   ALA  54           HA       ALA  54  -5.219  -0.633  -7.531
  395   1HB   ALA  54          1HB       ALA  54  -3.173  -0.409  -8.853
  396   2HB   ALA  54          2HB       ALA  54  -3.001  -2.162  -8.893
  397   3HB   ALA  54          3HB       ALA  54  -2.870  -1.297  -7.359
  398    H    LYS  55           H        LYS  55  -5.449  -3.494  -9.432
  399    HA   LYS  55           HA       LYS  55  -6.006  -2.252 -11.906
  400   1HB   LYS  55          2HB       LYS  55  -5.155  -4.580 -11.657
  401   2HB   LYS  55          1HB       LYS  55  -6.723  -5.047 -11.030
  402   1HG   LYS  55          2HG       LYS  55  -7.764  -4.555 -13.142
  403   2HG   LYS  55          1HG       LYS  55  -6.240  -3.936 -13.786
  404   1HD   LYS  55          2HD       LYS  55  -5.228  -6.164 -13.457
  405   2HD   LYS  55          1HD       LYS  55  -6.787  -6.768 -12.890
  406   1HE   LYS  55          2HE       LYS  55  -7.769  -6.188 -15.065
  407   2HE   LYS  55          1HE       LYS  55  -6.203  -5.614 -15.615
  408   1HZ   LYS  55          1HZ       LYS  55  -6.819  -8.416 -14.823
  409   2HZ   LYS  55          2HZ       LYS  55  -5.321  -7.858 -15.319
  410   3HZ   LYS  55          3HZ       LYS  55  -6.607  -7.851 -16.396
  411    H    LYS  56           H        LYS  56  -8.071  -3.211  -9.236
  412    HA   LYS  56           HA       LYS  56 -10.303  -2.215 -10.833
  413   1HB   LYS  56          2HB       LYS  56 -10.329  -3.919  -8.395
  414   2HB   LYS  56          1HB       LYS  56 -11.687  -2.850  -8.666
  415   1HG   LYS  56          2HG       LYS  56 -12.257  -4.982  -9.552
  416   2HG   LYS  56          1HG       LYS  56 -11.999  -3.891 -10.902
  417   1HD   LYS  56          2HD       LYS  56 -11.038  -6.033 -11.411
  418   2HD   LYS  56          1HD       LYS  56  -9.728  -4.876 -11.163
  419   1HE   LYS  56          2HE       LYS  56  -9.330  -5.700  -8.963
  420   2HE   LYS  56          1HE       LYS  56 -10.760  -6.732  -9.038
  421   1HZ   LYS  56          1HZ       LYS  56  -9.714  -8.020 -10.748
  422   2HZ   LYS  56          2HZ       LYS  56  -8.700  -7.943  -9.410
  423   3HZ   LYS  56          3HZ       LYS  56  -8.366  -7.020 -10.766
  424    H    LEU  57           H        LEU  57  -8.259  -1.021  -8.368
  425    HA   LEU  57           HA       LEU  57 -10.151   1.136  -8.038
  426   1HB   LEU  57          2HB       LEU  57  -8.252  -0.067  -6.090
  427   2HB   LEU  57          1HB       LEU  57  -8.988   1.506  -5.864
  428    HG   LEU  57           HG       LEU  57 -10.564  -0.992  -6.304
  429   1HD1  LEU  57          1HD1      LEU  57  -9.240  -1.203  -4.204
  430   2HD1  LEU  57          2HD1      LEU  57 -10.948  -0.986  -3.827
  431   3HD1  LEU  57          3HD1      LEU  57  -9.834   0.372  -3.674
  432   1HD2  LEU  57          1HD2      LEU  57 -11.313   1.715  -5.217
  433   2HD2  LEU  57          2HD2      LEU  57 -12.391   0.325  -5.290
  434   3HD2  LEU  57          3HD2      LEU  57 -11.773   1.037  -6.780
  435    HA   PRO  58           HA       PRO  58  -6.544   3.259  -9.883
  436   1HB   PRO  58          2HB       PRO  58  -7.966   4.810 -11.552
  437   2HB   PRO  58          1HB       PRO  58  -7.614   3.123 -11.956
  438   1HG   PRO  58          2HG       PRO  58 -10.114   4.295 -10.790
  439   2HG   PRO  58          1HG       PRO  58  -9.950   3.139 -12.121
  440   1HD   PRO  58          2HD       PRO  58 -10.540   2.314  -9.565
  441   2HD   PRO  58          1HD       PRO  58  -9.582   1.364 -10.703
  442    H    ASN  59           H        ASN  59  -9.439   4.159  -8.272
  443    HA   ASN  59           HA       ASN  59  -8.781   6.966  -7.924
  444   1HB   ASN  59          2HB       ASN  59 -11.134   6.216  -8.112
  445   2HB   ASN  59          1HB       ASN  59 -10.928   5.280  -6.636
  446   1HD2  ASN  59          1HD2      ASN  59 -12.597   6.375  -5.603
  447   2HD2  ASN  59          2HD2      ASN  59 -12.442   8.000  -5.063
  448    H    VAL  60           H        VAL  60  -7.779   4.130  -6.572
  449    HA   VAL  60           HA       VAL  60  -7.121   5.401  -4.032
  450    HB   VAL  60           HB       VAL  60  -7.259   2.446  -4.727
  451   1HG1  VAL  60          1HG1      VAL  60  -5.492   2.854  -3.130
  452   2HG1  VAL  60          2HG1      VAL  60  -6.854   2.077  -2.314
  453   3HG1  VAL  60          3HG1      VAL  60  -6.578   3.812  -2.132
  454   1HG2  VAL  60          1HG2      VAL  60  -9.468   3.437  -4.498
  455   2HG2  VAL  60          2HG2      VAL  60  -9.015   4.136  -2.946
  456   3HG2  VAL  60          3HG2      VAL  60  -9.131   2.387  -3.121
  457    H    LEU  61           H        LEU  61  -5.039   5.709  -3.612
  458    HA   LEU  61           HA       LEU  61  -3.168   5.105  -5.743
  459   1HB   LEU  61          2HB       LEU  61  -3.251   7.373  -4.773
  460   2HB   LEU  61          1HB       LEU  61  -2.846   6.714  -3.204
  461    HG   LEU  61           HG       LEU  61  -0.641   6.024  -4.087
  462   1HD1  LEU  61          1HD1      LEU  61   0.108   6.895  -6.246
  463   2HD1  LEU  61          2HD1      LEU  61  -1.528   7.469  -6.577
  464   3HD1  LEU  61          3HD1      LEU  61  -1.211   5.740  -6.421
  465   1HD2  LEU  61          1HD2      LEU  61  -1.314   8.940  -4.464
  466   2HD2  LEU  61          2HD2      LEU  61   0.305   8.279  -4.251
  467   3HD2  LEU  61          3HD2      LEU  61  -0.872   8.159  -2.944
  468    H    PHE  62           H        PHE  62  -2.013   3.301  -5.638
  469    HA   PHE  62           HA       PHE  62  -1.585   2.112  -3.002
  470   1HB   PHE  62          2HB       PHE  62  -1.426   0.807  -5.713
  471   2HB   PHE  62          1HB       PHE  62  -1.109   0.016  -4.197
  472    HD1  PHE  62           1HD      PHE  62  -3.780   1.452  -6.277
  473    HD2  PHE  62           2HD      PHE  62  -2.846  -0.728  -2.754
  474    HE1  PHE  62           1HE      PHE  62  -6.142   0.816  -6.047
  475    HE2  PHE  62           2HE      PHE  62  -5.204  -1.368  -2.515
  476    HZ   PHE  62           HZ       PHE  62  -6.857  -0.595  -4.168
  477    H    LEU  63           H        LEU  63   0.400   1.529  -2.397
  478    HA   LEU  63           HA       LEU  63   2.664   2.382  -4.048
  479   1HB   LEU  63          2HB       LEU  63   2.007   3.260  -1.270
  480   2HB   LEU  63          1HB       LEU  63   3.624   3.387  -1.941
  481    HG   LEU  63           HG       LEU  63   1.321   4.556  -3.418
  482   1HD1  LEU  63          1HD1      LEU  63   1.282   5.495  -1.046
  483   2HD1  LEU  63          2HD1      LEU  63   1.791   6.720  -2.205
  484   3HD1  LEU  63          3HD1      LEU  63   2.992   5.895  -1.212
  485   1HD2  LEU  63          1HD2      LEU  63   3.499   4.357  -4.449
  486   2HD2  LEU  63          2HD2      LEU  63   4.209   5.340  -3.165
  487   3HD2  LEU  63          3HD2      LEU  63   3.013   6.042  -4.257
  488    H    LYS  64           H        LYS  64   4.454   1.085  -3.946
  489    HA   LYS  64           HA       LYS  64   4.424  -1.141  -2.097
  490   1HB   LYS  64          2HB       LYS  64   5.949  -0.548  -4.629
  491   2HB   LYS  64          1HB       LYS  64   6.179  -1.941  -3.619
  492   1HG   LYS  64          2HG       LYS  64   3.627  -1.251  -5.036
  493   2HG   LYS  64          1HG       LYS  64   4.852  -2.322  -5.686
  494   1HD   LYS  64          2HD       LYS  64   3.425  -2.789  -3.069
  495   2HD   LYS  64          1HD       LYS  64   2.925  -3.496  -4.605
  496   1HE   LYS  64          2HE       LYS  64   5.167  -4.548  -4.791
  497   2HE   LYS  64          1HE       LYS  64   5.568  -3.910  -3.197
  498   1HZ   LYS  64          1HZ       LYS  64   3.781  -5.198  -2.255
  499   2HZ   LYS  64          2HZ       LYS  64   4.827  -6.220  -3.094
  500   3HZ   LYS  64          3HZ       LYS  64   3.339  -5.758  -3.784
  501    H    VAL  65           H        VAL  65   5.669  -0.750  -0.352
  502    HA   VAL  65           HA       VAL  65   8.084   0.853  -0.770
  503    HB   VAL  65           HB       VAL  65   6.614   0.251   1.824
  504   1HG1  VAL  65          1HG1      VAL  65   9.042   0.353   2.170
  505   2HG1  VAL  65          2HG1      VAL  65   8.247   1.760   2.876
  506   3HG1  VAL  65          3HG1      VAL  65   9.099   1.908   1.340
  507   1HG2  VAL  65          1HG2      VAL  65   6.194   2.657   1.877
  508   2HG2  VAL  65          2HG2      VAL  65   5.490   1.910   0.439
  509   3HG2  VAL  65          3HG2      VAL  65   6.993   2.825   0.317
  510    H    ASP  66           H        ASP  66   9.772  -0.345  -0.989
  511    HA   ASP  66           HA       ASP  66   9.665  -3.059  -0.021
  512   1HB   ASP  66          2HB       ASP  66  10.425  -2.561  -2.347
  513   2HB   ASP  66          1HB       ASP  66  11.781  -1.704  -1.618
  514    H    THR  67           H        THR  67  10.584  -3.643   1.696
  515    HA   THR  67           HA       THR  67  11.679  -1.712   3.463
  516    HB   THR  67           HB       THR  67  11.863  -3.688   5.061
  517    HG1  THR  67           1HG      THR  67  10.435  -4.987   2.971
  518   1HG2  THR  67          1HG2      THR  67   9.188  -3.190   3.730
  519   2HG2  THR  67          2HG2      THR  67   9.887  -2.211   5.018
  520   3HG2  THR  67          3HG2      THR  67   9.424  -3.882   5.331
  521    H    ASP  68           H        ASP  68  13.163  -3.846   1.257
  522    HA   ASP  68           HA       ASP  68  15.728  -3.892   2.604
  523   1HB   ASP  68          2HB       ASP  68  15.006  -5.652   0.999
  524   2HB   ASP  68          1HB       ASP  68  14.976  -4.446  -0.267
  525    H    GLU  69           H        GLU  69  13.979  -2.208   0.256
  526    HA   GLU  69           HA       GLU  69  16.002  -0.537  -0.842
  527   1HB   GLU  69          2HB       GLU  69  13.683  -1.223  -1.709
  528   2HB   GLU  69          1HB       GLU  69  13.095   0.024  -0.679
  529   1HG   GLU  69          2HG       GLU  69  13.309   0.858  -2.882
  530   2HG   GLU  69          1HG       GLU  69  14.426   1.715  -1.803
  531    H    LEU  70           H        LEU  70  13.147   0.236   1.143
  532    HA   LEU  70           HA       LEU  70  14.510   2.578   2.144
  533   1HB   LEU  70          2HB       LEU  70  11.629   1.804   1.905
  534   2HB   LEU  70          1HB       LEU  70  12.224   3.268   2.644
  535    HG   LEU  70           HG       LEU  70  12.489   2.501  -0.270
  536   1HD1  LEU  70          1HD1      LEU  70  10.835   4.637   1.057
  537   2HD1  LEU  70          2HD1      LEU  70  10.236   3.175   0.267
  538   3HD1  LEU  70          3HD1      LEU  70  11.030   4.428  -0.681
  539   1HD2  LEU  70          1HD2      LEU  70  13.418   4.759  -0.597
  540   2HD2  LEU  70          2HD2      LEU  70  14.444   3.763   0.429
  541   3HD2  LEU  70          3HD2      LEU  70  13.414   5.003   1.150
  542    H    LYS  71           H        LYS  71  15.547   0.779   3.462
  543    HA   LYS  71           HA       LYS  71  14.076  -0.589   5.446
  544   1HB   LYS  71          2HB       LYS  71  16.254  -1.167   6.422
  545   2HB   LYS  71          1HB       LYS  71  16.180  -1.478   4.696
  546   1HG   LYS  71          2HG       LYS  71  17.427   0.626   4.304
  547   2HG   LYS  71          1HG       LYS  71  17.556   0.846   6.049
  548   1HD   LYS  71          2HD       LYS  71  18.650  -1.470   4.446
  549   2HD   LYS  71          1HD       LYS  71  19.601  -0.150   5.128
  550   1HE   LYS  71          2HE       LYS  71  18.910  -0.870   7.391
  551   2HE   LYS  71          1HE       LYS  71  18.001  -2.196   6.676
  552   1HZ   LYS  71          1HZ       LYS  71  20.072  -3.044   5.756
  553   2HZ   LYS  71          2HZ       LYS  71  20.111  -2.962   7.441
  554   3HZ   LYS  71          3HZ       LYS  71  20.931  -1.800   6.518
  555    H    SER  72           H        SER  72  15.711   2.526   5.497
  556    HA   SER  72           HA       SER  72  15.468   2.809   8.320
  557   1HB   SER  72          2HB       SER  72  15.941   4.869   6.191
  558   2HB   SER  72          1HB       SER  72  16.185   5.127   7.922
  559    HG   SER  72           HG       SER  72  17.488   2.958   7.371
  560    H    VAL  73           H        VAL  73  13.525   3.652   5.549
  561    HA   VAL  73           HA       VAL  73  11.668   5.307   6.910
  562    HB   VAL  73           HB       VAL  73  11.227   3.626   4.421
  563   1HG1  VAL  73          1HG1      VAL  73   9.713   6.031   5.432
  564   2HG1  VAL  73          2HG1      VAL  73   9.130   4.369   5.399
  565   3HG1  VAL  73          3HG1      VAL  73   9.443   5.224   3.887
  566   1HG2  VAL  73          1HG2      VAL  73  13.117   5.132   4.125
  567   2HG2  VAL  73          2HG2      VAL  73  12.142   6.493   4.675
  568   3HG2  VAL  73          3HG2      VAL  73  11.743   5.679   3.163
  569    H    ALA  74           H        ALA  74  11.725   1.879   6.052
  570    HA   ALA  74           HA       ALA  74   9.272   1.129   7.158
  571   1HB   ALA  74          1HB       ALA  74  10.138  -1.145   7.106
  572   2HB   ALA  74          2HB       ALA  74  11.776  -0.528   6.904
  573   3HB   ALA  74          3HB       ALA  74  10.576  -0.275   5.636
  574    H    SER  75           H        SER  75  12.379   1.639   8.639
  575    HA   SER  75           HA       SER  75  11.689   0.404  11.110
  576   1HB   SER  75          2HB       SER  75  13.928   2.321  10.447
  577   2HB   SER  75          1HB       SER  75  13.791   1.389  11.941
  578    HG   SER  75           HG       SER  75  14.315   0.514   9.320
  579    H    ASP  76           H        ASP  76  11.394   3.662   9.807
  580    HA   ASP  76           HA       ASP  76  10.882   4.852  12.386
  581   1HB   ASP  76          2HB       ASP  76  11.849   6.137  10.454
  582   2HB   ASP  76          1HB       ASP  76  10.287   6.004   9.656
  583    H    TRP  77           H        TRP  77   8.973   3.715   9.662
  584    HA   TRP  77           HA       TRP  77   6.492   4.409  10.852
  585   1HB   TRP  77          2HB       TRP  77   7.243   2.708   8.526
  586   2HB   TRP  77          1HB       TRP  77   5.562   2.836   9.037
  587    HD1  TRP  77           HD       TRP  77   8.440   5.172   7.848
  588    HE1  TRP  77           1HE      TRP  77   7.380   7.146   6.582
  589    HE3  TRP  77           3HE      TRP  77   3.519   4.024   8.531
  590    HZ2  TRP  77           2HZ      TRP  77   4.803   8.078   5.941
  591    HZ3  TRP  77           3HZ      TRP  77   1.813   5.502   7.553
  592    HH2  TRP  77           HH       TRP  77   2.441   7.484   6.288
  593    H    ALA  78           H        ALA  78   8.712   2.087  11.436
  594    HA   ALA  78           HA       ALA  78   8.886   0.296  12.708
  595   1HB   ALA  78          1HB       ALA  78   7.798   1.694  14.390
  596   2HB   ALA  78          2HB       ALA  78   7.372  -0.012  14.585
  597   3HB   ALA  78          3HB       ALA  78   6.225   1.107  13.857
  598    H    ILE  79           H        ILE  79   8.561  -0.615  10.528
  599    HA   ILE  79           HA       ILE  79   6.305  -2.493  10.521
  600    HB   ILE  79           HB       ILE  79   8.204  -1.747   8.276
  601   1HG1  ILE  79          2HG1      ILE  79   6.757   0.153   8.822
  602   2HG1  ILE  79          1HG1      ILE  79   6.307  -0.528   7.267
  603   1HG2  ILE  79          1HG2      ILE  79   5.693  -3.419   8.230
  604   2HG2  ILE  79          2HG2      ILE  79   7.345  -4.005   8.040
  605   3HG2  ILE  79          3HG2      ILE  79   6.636  -2.953   6.816
  606   1HD1  ILE  79          1HD1      ILE  79   4.874  -0.955   9.883
  607   2HD1  ILE  79          2HD1      ILE  79   4.412  -1.654   8.329
  608   3HD1  ILE  79          3HD1      ILE  79   4.355   0.092   8.561
  609    H    GLN  80           H        GLN  80   6.979  -4.172  11.681
  610    HA   GLN  80           HA       GLN  80   9.687  -5.167  11.150
  611   1HB   GLN  80          2HB       GLN  80   9.298  -4.546  13.485
  612   2HB   GLN  80          1HB       GLN  80   7.927  -5.638  13.564
  613   1HG   GLN  80          2HG       GLN  80   9.388  -7.538  13.268
  614   2HG   GLN  80          1HG       GLN  80  10.779  -6.469  13.093
  615   1HE2  GLN  80          1HE2      GLN  80  11.561  -5.411  14.881
  616   2HE2  GLN  80          2HE2      GLN  80  11.172  -5.897  16.494
  617    H    ALA  81           H        ALA  81   6.314  -6.007  11.185
  618    HA   ALA  81           HA       ALA  81   6.939  -8.736  10.398
  619   1HB   ALA  81          1HB       ALA  81   4.511  -9.092  10.484
  620   2HB   ALA  81          2HB       ALA  81   4.283  -7.376  10.825
  621   3HB   ALA  81          3HB       ALA  81   5.108  -8.403  11.996
  622    H    MET  82           H        MET  82   6.645  -9.472   8.327
  623    HA   MET  82           HA       MET  82   6.087  -7.357   6.405
  624   1HB   MET  82          2HB       MET  82   7.993  -9.655   6.119
  625   2HB   MET  82          1HB       MET  82   7.734  -8.360   4.993
  626   1HG   MET  82          2HG       MET  82   8.708  -6.729   6.400
  627   2HG   MET  82          1HG       MET  82   8.720  -7.828   7.778
  628   1HE   MET  82          1HE       MET  82  11.440  -8.373   4.104
  629   2HE   MET  82          2HE       MET  82  10.247  -7.082   4.245
  630   3HE   MET  82          3HE       MET  82   9.721  -8.758   4.100
  631    HA   PRO  83           HA       PRO  83   5.345  -7.052   4.736
  632   1HB   PRO  83          2HB       PRO  83   3.356  -6.801   2.959
  633   2HB   PRO  83          1HB       PRO  83   4.816  -7.724   2.590
  634   1HG   PRO  83          2HG       PRO  83   2.097  -8.694   3.277
  635   2HG   PRO  83          1HG       PRO  83   3.319  -9.422   2.225
  636   1HD   PRO  83          2HD       PRO  83   2.769 -10.088   4.936
  637   2HD   PRO  83          1HD       PRO  83   4.111 -10.679   3.938
  638    H    THR  84           H        THR  84   4.126  -5.073   5.220
  639    HA   THR  84           HA       THR  84   1.669  -5.505   6.775
  640    HB   THR  84           HB       THR  84   3.621  -3.292   6.923
  641    HG1  THR  84           1HG      THR  84   4.153  -5.433   7.981
  642   1HG2  THR  84          1HG2      THR  84   1.137  -3.756   8.582
  643   2HG2  THR  84          2HG2      THR  84   1.398  -2.452   7.423
  644   3HG2  THR  84          3HG2      THR  84   2.328  -2.499   8.918
  645    H    PHE  85           H        PHE  85  -0.159  -4.687   5.868
  646    HA   PHE  85           HA       PHE  85   0.100  -2.876   3.603
  647   1HB   PHE  85          2HB       PHE  85  -2.150  -4.622   4.592
  648   2HB   PHE  85          1HB       PHE  85  -2.216  -3.573   3.197
  649    HD1  PHE  85           1HD      PHE  85  -0.889  -6.693   4.567
  650    HD2  PHE  85           2HD      PHE  85  -1.123  -4.191   1.137
  651    HE1  PHE  85           1HE      PHE  85  -0.066  -8.535   3.170
  652    HE2  PHE  85           2HE      PHE  85  -0.299  -6.029  -0.265
  653    HZ   PHE  85           HZ       PHE  85   0.230  -8.195   0.745
  654    H    MET  86           H        MET  86  -0.401  -0.836   4.044
  655    HA   MET  86           HA       MET  86  -2.064  -0.349   6.408
  656   1HB   MET  86          2HB       MET  86   0.215   0.462   6.640
  657   2HB   MET  86          1HB       MET  86   0.023   1.452   5.195
  658   1HG   MET  86          2HG       MET  86  -1.695   2.764   6.320
  659   2HG   MET  86          1HG       MET  86  -1.553   1.764   7.755
  660   1HE   MET  86          1HE       MET  86   1.657   1.300   7.819
  661   2HE   MET  86          2HE       MET  86   0.662   1.627   9.236
  662   3HE   MET  86          3HE       MET  86   2.103   2.590   8.934
  663    H    PHE  87           H        PHE  87  -3.975   0.503   6.110
  664    HA   PHE  87           HA       PHE  87  -4.693   1.537   3.524
  665   1HB   PHE  87          2HB       PHE  87  -6.106   0.396   5.890
  666   2HB   PHE  87          1HB       PHE  87  -6.994   1.162   4.623
  667    HD1  PHE  87           1HD      PHE  87  -7.276   0.029   2.479
  668    HD2  PHE  87           2HD      PHE  87  -4.923  -1.722   5.558
  669    HE1  PHE  87           1HE      PHE  87  -7.298  -2.112   1.270
  670    HE2  PHE  87           2HE      PHE  87  -4.941  -3.868   4.352
  671    HZ   PHE  87           HZ       PHE  87  -6.129  -4.065   2.209
  672    H    LEU  88           H        LEU  88  -4.717   3.714   3.424
  673    HA   LEU  88           HA       LEU  88  -5.380   5.121   5.880
  674   1HB   LEU  88          2HB       LEU  88  -3.772   6.217   3.548
  675   2HB   LEU  88          1HB       LEU  88  -4.121   7.056   5.029
  676    HG   LEU  88           HG       LEU  88  -2.628   5.302   6.191
  677   1HD1  LEU  88          1HD1      LEU  88  -0.974   4.194   4.811
  678   2HD1  LEU  88          2HD1      LEU  88  -1.799   4.747   3.359
  679   3HD1  LEU  88          3HD1      LEU  88  -2.602   3.624   4.451
  680   1HD2  LEU  88          1HD2      LEU  88  -1.407   7.167   4.165
  681   2HD2  LEU  88          2HD2      LEU  88  -0.584   6.476   5.560
  682   3HD2  LEU  88          3HD2      LEU  88  -1.926   7.598   5.796
  683    H    LYS  89           H        LYS  89  -6.546   7.219   5.340
  684    HA   LYS  89           HA       LYS  89  -7.806   7.220   2.713
  685   1HB   LYS  89          2HB       LYS  89  -9.449   6.269   4.199
  686   2HB   LYS  89          1HB       LYS  89  -9.219   7.593   5.338
  687   1HG   LYS  89          2HG       LYS  89 -10.113   9.157   3.695
  688   2HG   LYS  89          1HG       LYS  89 -10.339   7.829   2.551
  689   1HD   LYS  89          2HD       LYS  89 -11.938   6.791   4.083
  690   2HD   LYS  89          1HD       LYS  89 -11.673   8.088   5.252
  691   1HE   LYS  89          2HE       LYS  89 -12.518   9.719   3.660
  692   2HE   LYS  89          1HE       LYS  89 -12.731   8.461   2.455
  693   1HZ   LYS  89          1HZ       LYS  89 -14.354   7.405   3.918
  694   2HZ   LYS  89          2HZ       LYS  89 -14.821   8.934   3.488
  695   3HZ   LYS  89          3HZ       LYS  89 -14.211   8.658   5.042
  696    H    GLU  90           H        GLU  90  -7.480   9.027   1.754
  697    HA   GLU  90           HA       GLU  90  -7.118  11.054   1.259
  698   1HB   GLU  90          2HB       GLU  90  -8.242  11.630   3.967
  699   2HB   GLU  90          1HB       GLU  90  -7.878  12.910   2.817
  700   1HG   GLU  90          2HG       GLU  90  -9.492  11.970   1.260
  701   2HG   GLU  90          1HG       GLU  90  -9.837  10.655   2.379
  702    H    GLY  91           H        GLY  91  -5.123   9.497   2.714
  703   1HA   GLY  91          2HA       GLY  91  -2.837   9.933   3.078
  704   2HA   GLY  91          1HA       GLY  91  -3.232  11.623   3.351
  705    H    LYS  92           H        LYS  92  -5.467  10.206   5.165
  706    HA   LYS  92           HA       LYS  92  -3.750  10.247   7.525
  707   1HB   LYS  92          2HB       LYS  92  -6.771  10.446   7.281
  708   2HB   LYS  92          1HB       LYS  92  -5.928  10.348   8.813
  709   1HG   LYS  92          2HG       LYS  92  -6.536  12.644   8.421
  710   2HG   LYS  92          1HG       LYS  92  -4.793  12.502   8.263
  711   1HD   LYS  92          2HD       LYS  92  -5.011  12.508   5.820
  712   2HD   LYS  92          1HD       LYS  92  -6.763  12.598   5.970
  713   1HE   LYS  92          2HE       LYS  92  -6.567  14.765   7.079
  714   2HE   LYS  92          1HE       LYS  92  -4.812  14.663   6.986
  715   1HZ   LYS  92          1HZ       LYS  92  -5.761  16.051   5.255
  716   2HZ   LYS  92          2HZ       LYS  92  -6.626  14.749   4.621
  717   3HZ   LYS  92          3HZ       LYS  92  -4.930  14.747   4.610
  718    H    ILE  93           H        ILE  93  -3.437   8.483   8.728
  719    HA   ILE  93           HA       ILE  93  -3.879   5.937   7.546
  720    HB   ILE  93           HB       ILE  93  -2.964   6.561  10.372
  721   1HG1  ILE  93          2HG1      ILE  93  -1.321   6.030   7.879
  722   2HG1  ILE  93          1HG1      ILE  93  -1.532   7.603   8.630
  723   1HG2  ILE  93          1HG2      ILE  93  -3.708   4.245  10.131
  724   2HG2  ILE  93          2HG2      ILE  93  -1.951   4.310  10.306
  725   3HG2  ILE  93          3HG2      ILE  93  -2.669   4.045   8.719
  726   1HD1  ILE  93          1HD1      ILE  93   0.621   6.643   9.201
  727   2HD1  ILE  93          2HD1      ILE  93  -0.171   5.211   9.858
  728   3HD1  ILE  93          3HD1      ILE  93  -0.388   6.775  10.641
  729    H    LEU  94           H        LEU  94  -5.555   4.531   7.753
  730    HA   LEU  94           HA       LEU  94  -7.515   5.088   9.821
  731   1HB   LEU  94          2HB       LEU  94  -7.659   3.492   7.299
  732   2HB   LEU  94          1HB       LEU  94  -8.937   3.496   8.476
  733    HG   LEU  94           HG       LEU  94  -8.008   5.774   6.736
  734   1HD1  LEU  94          1HD1      LEU  94 -10.341   5.698   5.967
  735   2HD1  LEU  94          2HD1      LEU  94 -10.598   4.261   6.958
  736   3HD1  LEU  94          3HD1      LEU  94  -9.444   4.227   5.623
  737   1HD2  LEU  94          1HD2      LEU  94  -9.753   7.127   7.790
  738   2HD2  LEU  94          2HD2      LEU  94  -8.499   6.681   8.943
  739   3HD2  LEU  94          3HD2      LEU  94 -10.052   5.834   8.949
  740    H    ASP  95           H        ASP  95  -5.992   2.304   8.186
  741    HA   ASP  95           HA       ASP  95  -5.519   1.001  10.644
  742   1HB   ASP  95          2HB       ASP  95  -6.801  -1.010   9.959
  743   2HB   ASP  95          1HB       ASP  95  -7.766   0.274  10.676
  744    H    LYS  96           H        LYS  96  -4.471  -1.023  10.397
  745    HA   LYS  96           HA       LYS  96  -3.476  -1.479   7.726
  746   1HB   LYS  96          2HB       LYS  96  -1.122  -1.770   8.567
  747   2HB   LYS  96          1HB       LYS  96  -1.719  -0.131   8.594
  748   1HG   LYS  96          2HG       LYS  96  -0.403  -0.507  10.555
  749   2HG   LYS  96          1HG       LYS  96  -2.081  -0.359  11.053
  750   1HD   LYS  96          2HD       LYS  96  -2.228  -2.796  11.257
  751   2HD   LYS  96          1HD       LYS  96  -0.560  -2.949  10.705
  752   1HE   LYS  96          2HE       LYS  96  -0.710  -3.128  13.140
  753   2HE   LYS  96          1HE       LYS  96   0.210  -1.705  12.662
  754   1HZ   LYS  96          1HZ       LYS  96  -2.645  -1.695  13.500
  755   2HZ   LYS  96          2HZ       LYS  96  -1.719  -0.327  13.131
  756   3HZ   LYS  96          3HZ       LYS  96  -1.337  -1.264  14.465
  757    H    VAL  97           H        VAL  97  -2.476  -3.487   7.363
  758    HA   VAL  97           HA       VAL  97  -3.527  -5.621   9.095
  759    HB   VAL  97           HB       VAL  97  -2.851  -5.755   6.135
  760   1HG1  VAL  97          1HG1      VAL  97  -4.236  -7.754   7.912
  761   2HG1  VAL  97          2HG1      VAL  97  -2.607  -7.894   7.250
  762   3HG1  VAL  97          3HG1      VAL  97  -4.004  -7.918   6.171
  763   1HG2  VAL  97          1HG2      VAL  97  -5.562  -5.605   7.440
  764   2HG2  VAL  97          2HG2      VAL  97  -5.260  -5.845   5.722
  765   3HG2  VAL  97          3HG2      VAL  97  -4.789  -4.334   6.499
  766    H    VAL  98           H        VAL  98  -1.975  -6.739  10.042
  767    HA   VAL  98           HA       VAL  98   0.751  -6.253   9.142
  768    HB   VAL  98           HB       VAL  98   0.271  -5.522  11.420
  769   1HG1  VAL  98          1HG1      VAL  98  -0.448  -8.376  12.035
  770   2HG1  VAL  98          2HG1      VAL  98  -1.531  -6.987  12.031
  771   3HG1  VAL  98          3HG1      VAL  98  -0.243  -7.097  13.232
  772   1HG2  VAL  98          1HG2      VAL  98   2.057  -6.703  12.628
  773   2HG2  VAL  98          2HG2      VAL  98   2.508  -6.269  10.979
  774   3HG2  VAL  98          3HG2      VAL  98   2.070  -7.933  11.361
  775    H    GLY  99           H        GLY  99   1.652  -7.775   7.964
  776   1HA   GLY  99          2HA       GLY  99   2.570  -9.881   7.635
  777   2HA   GLY  99          1HA       GLY  99   1.406 -10.558   8.775
  778    H    ALA 100           H        ALA 100   1.882 -11.748   6.291
  779    HA   ALA 100           HA       ALA 100  -0.201 -10.910   4.500
  780   1HB   ALA 100          1HB       ALA 100   1.473 -13.430   4.518
  781   2HB   ALA 100          2HB       ALA 100   1.849 -11.954   3.628
  782   3HB   ALA 100          3HB       ALA 100   0.423 -12.898   3.204
  783    H    LYS 101           H        LYS 101  -2.195 -11.183   5.114
  784    HA   LYS 101           HA       LYS 101  -2.942 -13.690   6.383
  785   1HB   LYS 101          2HB       LYS 101  -4.106 -10.918   6.697
  786   2HB   LYS 101          1HB       LYS 101  -4.671 -12.380   7.505
  787   1HG   LYS 101          2HG       LYS 101  -2.671 -12.585   8.751
  788   2HG   LYS 101          1HG       LYS 101  -1.858 -11.347   7.788
  789   1HD   LYS 101          2HD       LYS 101  -2.362 -10.555   9.853
  790   2HD   LYS 101          1HD       LYS 101  -3.463  -9.779   8.695
  791   1HE   LYS 101          2HE       LYS 101  -5.218 -11.411   9.406
  792   2HE   LYS 101          1HE       LYS 101  -4.098 -12.014  10.628
  793   1HZ   LYS 101          1HZ       LYS 101  -5.226  -9.290  10.442
  794   2HZ   LYS 101          2HZ       LYS 101  -4.056  -9.748  11.567
  795   3HZ   LYS 101          3HZ       LYS 101  -5.592 -10.440  11.622
  796    H    LYS 102           H        LYS 102  -4.058 -14.781   4.713
  797    HA   LYS 102           HA       LYS 102  -4.721 -13.434   2.326
  798   1HB   LYS 102          2HB       LYS 102  -3.877 -15.810   2.717
  799   2HB   LYS 102          1HB       LYS 102  -5.533 -16.192   3.131
  800   1HG   LYS 102          2HG       LYS 102  -4.639 -15.081   0.475
  801   2HG   LYS 102          1HG       LYS 102  -4.849 -16.781   0.875
  802   1HD   LYS 102          2HD       LYS 102  -7.058 -14.709   0.976
  803   2HD   LYS 102          1HD       LYS 102  -6.761 -15.757  -0.408
  804   1HE   LYS 102          2HE       LYS 102  -7.169 -17.724   1.028
  805   2HE   LYS 102          1HE       LYS 102  -7.495 -16.644   2.382
  806   1HZ   LYS 102          1HZ       LYS 102  -9.056 -16.721  -0.146
  807   2HZ   LYS 102          2HZ       LYS 102  -9.382 -15.748   1.173
  808   3HZ   LYS 102          3HZ       LYS 102  -9.526 -17.413   1.307
  809    H    ASP 103           H        ASP 103  -6.685 -15.036   4.803
  810    HA   ASP 103           HA       ASP 103  -9.131 -14.310   3.514
  811   1HB   ASP 103          2HB       ASP 103  -9.040 -16.406   4.719
  812   2HB   ASP 103          1HB       ASP 103  -8.660 -15.568   6.217
  813    H    GLU 104           H        GLU 104  -7.471 -13.248   6.390
  814    HA   GLU 104           HA       GLU 104  -9.535 -11.537   7.303
  815   1HB   GLU 104          2HB       GLU 104  -7.606 -12.609   8.619
  816   2HB   GLU 104          1HB       GLU 104  -6.600 -11.345   7.951
  817   1HG   GLU 104          2HG       GLU 104  -9.017 -10.822   9.682
  818   2HG   GLU 104          1HG       GLU 104  -7.393 -11.009  10.316
  819    H    LEU 105           H        LEU 105  -6.761 -11.022   5.165
  820    HA   LEU 105           HA       LEU 105  -6.702  -8.240   4.986
  821   1HB   LEU 105          2HB       LEU 105  -5.206  -9.891   3.837
  822   2HB   LEU 105          1HB       LEU 105  -6.484 -10.182   2.727
  823    HG   LEU 105           HG       LEU 105  -6.439  -7.900   1.895
  824   1HD1  LEU 105          1HD1      LEU 105  -4.102  -7.511   3.760
  825   2HD1  LEU 105          2HD1      LEU 105  -5.681  -6.724   3.867
  826   3HD1  LEU 105          3HD1      LEU 105  -4.615  -6.378   2.510
  827   1HD2  LEU 105          1HD2      LEU 105  -3.733  -9.228   1.869
  828   2HD2  LEU 105          2HD2      LEU 105  -4.287  -8.002   0.731
  829   3HD2  LEU 105          3HD2      LEU 105  -5.077  -9.578   0.780
  830    H    GLN 106           H        GLN 106  -8.596 -10.569   3.338
  831    HA   GLN 106           HA       GLN 106 -10.094  -8.930   1.573
  832   1HB   GLN 106          2HB       GLN 106 -11.210 -11.384   2.942
  833   2HB   GLN 106          1HB       GLN 106 -11.708 -10.720   1.399
  834   1HG   GLN 106          2HG       GLN 106  -9.070 -12.032   2.010
  835   2HG   GLN 106          1HG       GLN 106 -10.408 -12.736   1.112
  836   1HE2  GLN 106          1HE2      GLN 106  -7.663 -12.252   0.393
  837   2HE2  GLN 106          2HE2      GLN 106  -7.685 -11.290  -1.049
  838    H    SER 107           H        SER 107 -10.658  -9.773   4.928
  839    HA   SER 107           HA       SER 107 -13.211  -8.524   5.063
  840   1HB   SER 107          2HB       SER 107 -11.284  -9.283   7.260
  841   2HB   SER 107          1HB       SER 107 -12.995  -8.893   7.486
  842    HG   SER 107           HG       SER 107 -12.714 -10.719   5.566
  843    H    THR 108           H        THR 108  -9.904  -7.485   5.724
  844    HA   THR 108           HA       THR 108 -10.653  -4.949   6.734
  845    HB   THR 108           HB       THR 108  -8.021  -5.789   5.453
  846    HG1  THR 108           1HG      THR 108  -8.725  -6.969   7.513
  847   1HG2  THR 108          1HG2      THR 108  -8.676  -3.448   7.279
  848   2HG2  THR 108          2HG2      THR 108  -8.270  -3.339   5.573
  849   3HG2  THR 108          3HG2      THR 108  -7.066  -3.890   6.732
  850    H    ILE 109           H        ILE 109  -9.979  -6.234   3.484
  851    HA   ILE 109           HA       ILE 109 -10.003  -3.742   2.166
  852    HB   ILE 109           HB       ILE 109 -10.635  -6.513   1.110
  853   1HG1  ILE 109          2HG1      ILE 109  -8.133  -4.826   0.935
  854   2HG1  ILE 109          1HG1      ILE 109  -8.365  -6.201   2.008
  855   1HG2  ILE 109          1HG2      ILE 109 -10.261  -5.567  -1.139
  856   2HG2  ILE 109          2HG2      ILE 109 -10.095  -3.960  -0.430
  857   3HG2  ILE 109          3HG2      ILE 109 -11.638  -4.808  -0.341
  858   1HD1  ILE 109          1HD1      ILE 109  -7.044  -6.768   0.066
  859   2HD1  ILE 109          2HD1      ILE 109  -8.376  -6.284  -0.991
  860   3HD1  ILE 109          3HD1      ILE 109  -8.561  -7.668   0.090
  861    H    ALA 110           H        ALA 110 -12.539  -6.152   2.759
  862    HA   ALA 110           HA       ALA 110 -14.628  -4.848   1.438
  863   1HB   ALA 110          1HB       ALA 110 -14.724  -7.171   2.198
  864   2HB   ALA 110          2HB       ALA 110 -16.113  -6.248   2.759
  865   3HB   ALA 110          3HB       ALA 110 -14.790  -6.619   3.868
  866    H    LYS 111           H        LYS 111 -13.295  -4.390   4.597
  867    HA   LYS 111           HA       LYS 111 -15.189  -2.787   5.875
  868   1HB   LYS 111          2HB       LYS 111 -12.986  -3.715   6.727
  869   2HB   LYS 111          1HB       LYS 111 -12.287  -2.413   5.810
  870   1HG   LYS 111          2HG       LYS 111 -13.459  -0.748   7.156
  871   2HG   LYS 111          1HG       LYS 111 -14.124  -2.038   8.160
  872   1HD   LYS 111          2HD       LYS 111 -11.831  -2.734   8.738
  873   2HD   LYS 111          1HD       LYS 111 -11.199  -1.391   7.786
  874   1HE   LYS 111          2HE       LYS 111 -12.518   0.151   9.258
  875   2HE   LYS 111          1HE       LYS 111 -12.911  -1.243  10.252
  876   1HZ   LYS 111          1HZ       LYS 111 -10.504  -1.563  10.660
  877   2HZ   LYS 111          2HZ       LYS 111 -11.042  -0.066  11.167
  878   3HZ   LYS 111          3HZ       LYS 111 -10.184  -0.190   9.727
  879    H    HIS 112           H        HIS 112 -12.577  -2.002   3.657
  880    HA   HIS 112           HA       HIS 112 -13.204   0.811   3.630
  881   1HB   HIS 112          2HB       HIS 112 -11.074  -0.831   2.301
  882   2HB   HIS 112          1HB       HIS 112 -11.276   0.891   2.056
  883    HD1  HIS 112           1HD      HIS 112 -10.397   2.419   3.874
  884    HD2  HIS 112           2HD      HIS 112 -10.134  -1.583   4.883
  885    HE1  HIS 112           1HE      HIS 112  -8.940   2.318   5.932
  886    HE2  HIS 112           2HE      HIS 112  -8.768  -0.127   6.492
  887    H    LEU 113           H        LEU 113 -14.028  -2.008   1.713
  888    HA   LEU 113           HA       LEU 113 -14.261  -0.695  -0.726
  889   1HB   LEU 113          2HB       LEU 113 -13.825  -3.119  -0.163
  890   2HB   LEU 113          1HB       LEU 113 -15.520  -3.175   0.254
  891    HG   LEU 113           HG       LEU 113 -14.938  -4.142  -1.819
  892   1HD1  LEU 113          1HD1      LEU 113 -17.249  -3.363  -1.595
  893   2HD1  LEU 113          2HD1      LEU 113 -16.743  -3.080  -3.261
  894   3HD1  LEU 113          3HD1      LEU 113 -16.784  -1.743  -2.113
  895   1HD2  LEU 113          1HD2      LEU 113 -14.427  -2.751  -3.825
  896   2HD2  LEU 113          2HD2      LEU 113 -13.157  -2.785  -2.601
  897   3HD2  LEU 113          3HD2      LEU 113 -14.212  -1.377  -2.743
  898    H    ALA 114           H        ALA 114 -15.599   0.966  -0.749
  899    HA   ALA 114           HA       ALA 114 -18.358   0.590  -0.934
  900   1HB   ALA 114          1HB       ALA 114 -17.390   2.183   1.470
  901   2HB   ALA 114          2HB       ALA 114 -18.303   0.673   1.531
  902   3HB   ALA 114          3HB       ALA 114 -19.056   2.129   0.889
  Start of MODEL    2
    1    H    MET   1           H        MET   1  -9.189   6.410 -23.128
    2    HA   MET   1           HA       MET   1  -9.636   8.229 -20.964
    3   1HB   MET   1          2HB       MET   1  -9.494   5.199 -20.966
    4   2HB   MET   1          1HB       MET   1 -10.043   6.191 -19.634
    5   1HG   MET   1          2HG       MET   1 -11.949   5.236 -20.726
    6   2HG   MET   1          1HG       MET   1 -11.934   6.967 -21.047
    7   1HE   MET   1          1HE       MET   1 -13.743   4.863 -22.622
    8   2HE   MET   1          2HE       MET   1 -13.548   5.419 -24.286
    9   3HE   MET   1          3HE       MET   1 -13.748   6.590 -22.987
   10    H    ALA   2           H        ALA   2  -8.237   8.796 -19.419
   11    HA   ALA   2           HA       ALA   2  -5.492   7.978 -19.689
   12   1HB   ALA   2          1HB       ALA   2  -6.027  10.321 -19.188
   13   2HB   ALA   2          2HB       ALA   2  -5.057   9.611 -17.899
   14   3HB   ALA   2          3HB       ALA   2  -6.794   9.826 -17.680
   15    H    SER   3           H        SER   3  -5.095   5.987 -18.994
   16    HA   SER   3           HA       SER   3  -6.569   4.804 -16.882
   17   1HB   SER   3          2HB       SER   3  -4.130   3.792 -18.351
   18   2HB   SER   3          1HB       SER   3  -5.193   2.833 -17.318
   19    HG   SER   3           HG       SER   3  -6.812   3.024 -18.778
   20    H    GLU   4           H        GLU   4  -6.226   5.801 -14.994
   21    HA   GLU   4           HA       GLU   4  -3.531   6.145 -13.915
   22   1HB   GLU   4          2HB       GLU   4  -5.374   7.818 -13.520
   23   2HB   GLU   4          1HB       GLU   4  -6.250   6.590 -12.623
   24   1HG   GLU   4          2HG       GLU   4  -5.181   8.053 -11.073
   25   2HG   GLU   4          1HG       GLU   4  -4.349   6.499 -11.026
   26    H    GLU   5           H        GLU   5  -6.105   4.023 -14.014
   27    HA   GLU   5           HA       GLU   5  -5.622   2.466 -11.653
   28   1HB   GLU   5          2HB       GLU   5  -7.394   1.044 -12.609
   29   2HB   GLU   5          1HB       GLU   5  -7.866   2.739 -12.577
   30   1HG   GLU   5          2HG       GLU   5  -7.182   2.886 -14.993
   31   2HG   GLU   5          1HG       GLU   5  -6.945   1.148 -14.961
   32    H    GLY   6           H        GLY   6  -4.973   0.210 -11.738
   33   1HA   GLY   6          2HA       GLY   6  -4.053  -1.686 -12.737
   34   2HA   GLY   6          1HA       GLY   6  -3.859  -0.781 -14.226
   35    H    GLN   7           H        GLN   7  -2.591   0.983 -11.635
   36    HA   GLN   7           HA       GLN   7  -0.045  -0.358 -11.906
   37   1HB   GLN   7          2HB       GLN   7   1.176   1.754 -12.067
   38   2HB   GLN   7          1HB       GLN   7   0.230   1.350 -13.483
   39   1HG   GLN   7          2HG       GLN   7  -1.458   2.994 -12.815
   40   2HG   GLN   7          1HG       GLN   7  -0.564   3.308 -11.327
   41   1HE2  GLN   7          1HE2      GLN   7   1.325   4.495 -11.418
   42   2HE2  GLN   7          2HE2      GLN   7   1.783   5.412 -12.803
   43    H    VAL   8           H        VAL   8   1.367  -0.096 -10.416
   44    HA   VAL   8           HA       VAL   8   0.430   0.958  -7.818
   45    HB   VAL   8           HB       VAL   8   2.299  -1.381  -8.294
   46   1HG1  VAL   8          1HG1      VAL   8   1.045  -0.328  -5.775
   47   2HG1  VAL   8          2HG1      VAL   8   2.760  -0.286  -6.215
   48   3HG1  VAL   8          3HG1      VAL   8   1.946  -1.833  -5.935
   49   1HG2  VAL   8          1HG2      VAL   8   0.048  -1.980  -8.989
   50   2HG2  VAL   8          2HG2      VAL   8  -0.597  -1.426  -7.444
   51   3HG2  VAL   8          3HG2      VAL   8   0.477  -2.823  -7.501
   52    H    ILE   9           H        ILE   9   1.967   2.278  -6.659
   53    HA   ILE   9           HA       ILE   9   4.305   2.931  -8.237
   54    HB   ILE   9           HB       ILE   9   3.093   4.380  -5.858
   55   1HG1  ILE   9          2HG1      ILE   9   2.759   6.220  -7.579
   56   2HG1  ILE   9          1HG1      ILE   9   3.158   5.047  -8.808
   57   1HG2  ILE   9          1HG2      ILE   9   5.480   5.143  -7.541
   58   2HG2  ILE   9          2HG2      ILE   9   5.505   4.662  -5.845
   59   3HG2  ILE   9          3HG2      ILE   9   4.724   6.169  -6.322
   60   1HD1  ILE   9          1HD1      ILE   9   0.801   4.893  -6.929
   61   2HD1  ILE   9          2HD1      ILE   9   1.222   3.694  -8.147
   62   3HD1  ILE   9          3HD1      ILE   9   0.744   5.314  -8.643
   63    H    ALA  10           H        ALA  10   6.098   1.886  -7.739
   64    HA   ALA  10           HA       ALA  10   6.390   0.724  -5.092
   65   1HB   ALA  10          1HB       ALA  10   8.262  -0.525  -6.063
   66   2HB   ALA  10          2HB       ALA  10   8.082   0.364  -7.574
   67   3HB   ALA  10          3HB       ALA  10   6.803  -0.724  -7.033
   68    H    CYS  11           H        CYS  11   7.329   1.948  -3.589
   69    HA   CYS  11           HA       CYS  11   9.209   3.971  -4.431
   70   1HB   CYS  11          2HB       CYS  11   7.998   3.583  -1.720
   71   2HB   CYS  11          1HB       CYS  11   8.805   4.956  -2.387
   72    HG   CYS  11           HG       CYS  11   5.947   3.970  -3.919
   73    H    HIS  12           H        HIS  12  11.245   3.410  -4.209
   74    HA   HIS  12           HA       HIS  12  11.996   1.519  -2.078
   75   1HB   HIS  12          2HB       HIS  12  13.423   2.136  -4.693
   76   2HB   HIS  12          1HB       HIS  12  14.048   1.080  -3.439
   77    HD1  HIS  12           1HD      HIS  12  13.597  -1.382  -3.865
   78    HD2  HIS  12           2HD      HIS  12  10.806   1.087  -5.738
   79    HE1  HIS  12           1HE      HIS  12  12.123  -2.890  -5.177
   80    HE2  HIS  12           2HE      HIS  12  10.741  -1.350  -6.563
   81    H    THR  13           H        THR  13  11.638   4.635  -2.528
   82    HA   THR  13           HA       THR  13  14.081   5.363  -1.164
   83    HB   THR  13           HB       THR  13  14.229   7.404  -2.651
   84    HG1  THR  13           1HG      THR  13  13.121   7.479  -4.492
   85   1HG2  THR  13          1HG2      THR  13  14.651   4.735  -4.015
   86   2HG2  THR  13          2HG2      THR  13  15.795   5.523  -2.930
   87   3HG2  THR  13          3HG2      THR  13  15.408   6.257  -4.485
   88    H    VAL  14           H        VAL  14  13.887   7.463  -0.102
   89    HA   VAL  14           HA       VAL  14  11.287   7.736   1.044
   90    HB   VAL  14           HB       VAL  14  13.318   7.951   2.435
   91   1HG1  VAL  14          1HG1      VAL  14  13.821  10.516   0.965
   92   2HG1  VAL  14          2HG1      VAL  14  14.813   9.054   0.941
   93   3HG1  VAL  14          3HG1      VAL  14  14.657   9.990   2.424
   94   1HG2  VAL  14          1HG2      VAL  14  12.647   9.913   3.763
   95   2HG2  VAL  14          2HG2      VAL  14  11.261   8.937   3.272
   96   3HG2  VAL  14          3HG2      VAL  14  11.618  10.445   2.432
   97    H    GLU  15           H        GLU  15  13.024   9.418  -1.423
   98    HA   GLU  15           HA       GLU  15  11.633  11.872  -1.433
   99   1HB   GLU  15          2HB       GLU  15  13.721  11.496  -2.662
  100   2HB   GLU  15          1HB       GLU  15  12.912  10.332  -3.676
  101   1HG   GLU  15          2HG       GLU  15  13.275  12.498  -4.792
  102   2HG   GLU  15          1HG       GLU  15  11.581  12.019  -4.709
  103    H    THR  16           H        THR  16  11.140   8.944  -3.365
  104    HA   THR  16           HA       THR  16   8.783   9.730  -4.637
  105    HB   THR  16           HB       THR  16   9.649   6.929  -3.867
  106    HG1  THR  16           1HG      THR  16  10.241   7.627  -6.393
  107   1HG2  THR  16          1HG2      THR  16   8.416   6.263  -5.892
  108   2HG2  THR  16          2HG2      THR  16   7.966   7.945  -6.168
  109   3HG2  THR  16          3HG2      THR  16   7.346   7.090  -4.756
  110    H    TRP  17           H        TRP  17   9.383   8.003  -1.628
  111    HA   TRP  17           HA       TRP  17   6.829   7.399  -0.785
  112   1HB   TRP  17          2HB       TRP  17   8.764   6.550   0.364
  113   2HB   TRP  17          1HB       TRP  17   9.309   8.176   0.729
  114    HD1  TRP  17           HD       TRP  17   9.023   8.721   3.180
  115    HE1  TRP  17           1HE      TRP  17   7.377   8.123   5.037
  116    HE3  TRP  17           3HE      TRP  17   5.872   5.755   0.489
  117    HZ2  TRP  17           2HZ      TRP  17   5.008   6.582   5.324
  118    HZ3  TRP  17           3HZ      TRP  17   3.942   4.772   1.614
  119    HH2  TRP  17           HH       TRP  17   3.514   5.173   3.990
  120    H    ASN  18           H        ASN  18   8.681  10.361  -0.047
  121    HA   ASN  18           HA       ASN  18   6.605  11.656   1.376
  122   1HB   ASN  18          2HB       ASN  18   9.013  12.311   1.479
  123   2HB   ASN  18          1HB       ASN  18   8.869  12.953  -0.152
  124   1HD2  ASN  18          1HD2      ASN  18   9.292  15.062   0.377
  125   2HD2  ASN  18          2HD2      ASN  18   8.242  16.041   1.324
  126    H    GLU  19           H        GLU  19   7.637  11.811  -1.997
  127    HA   GLU  19           HA       GLU  19   6.012  13.877  -2.911
  128   1HB   GLU  19          2HB       GLU  19   7.852  12.957  -4.219
  129   2HB   GLU  19          1HB       GLU  19   6.991  11.436  -4.397
  130   1HG   GLU  19          2HG       GLU  19   5.267  12.550  -5.700
  131   2HG   GLU  19          1HG       GLU  19   6.098  14.092  -5.508
  132    H    GLN  20           H        GLN  20   5.303  10.324  -2.873
  133    HA   GLN  20           HA       GLN  20   2.867  10.590  -4.100
  134   1HB   GLN  20          2HB       GLN  20   4.160   8.570  -2.436
  135   2HB   GLN  20          1HB       GLN  20   2.536   8.329  -3.066
  136   1HG   GLN  20          2HG       GLN  20   5.049   8.790  -4.678
  137   2HG   GLN  20          1HG       GLN  20   4.218   7.245  -4.490
  138   1HE2  GLN  20          1HE2      GLN  20   4.811   8.768  -6.895
  139   2HE2  GLN  20          2HE2      GLN  20   3.312   9.069  -7.679
  140    H    LEU  21           H        LEU  21   3.768  10.635  -0.611
  141    HA   LEU  21           HA       LEU  21   1.149  10.484   0.248
  142   1HB   LEU  21          2HB       LEU  21   3.674  11.452   1.370
  143   2HB   LEU  21          1HB       LEU  21   2.203  11.409   2.291
  144    HG   LEU  21           HG       LEU  21   3.757   9.057   1.190
  145   1HD1  LEU  21          1HD1      LEU  21   4.071   8.493   3.548
  146   2HD1  LEU  21          2HD1      LEU  21   3.201   9.957   4.009
  147   3HD1  LEU  21          3HD1      LEU  21   4.739  10.078   3.158
  148   1HD2  LEU  21          1HD2      LEU  21   2.113   7.628   2.341
  149   2HD2  LEU  21          2HD2      LEU  21   1.363   8.572   1.061
  150   3HD2  LEU  21          3HD2      LEU  21   1.159   9.057   2.745
  151    H    GLN  22           H        GLN  22   3.352  13.179  -0.277
  152    HA   GLN  22           HA       GLN  22   1.621  15.140   0.658
  153   1HB   GLN  22          2HB       GLN  22   4.015  15.514   0.213
  154   2HB   GLN  22          1HB       GLN  22   3.711  15.379  -1.511
  155   1HG   GLN  22          2HG       GLN  22   2.346  17.384  -1.451
  156   2HG   GLN  22          1HG       GLN  22   2.573  17.501   0.296
  157   1HE2  GLN  22          1HE2      GLN  22   4.046  17.895  -2.806
  158   2HE2  GLN  22          2HE2      GLN  22   5.458  18.717  -2.260
  159    H    LYS  23           H        LYS  23   2.027  13.709  -2.526
  160    HA   LYS  23           HA       LYS  23   0.151  15.287  -3.894
  161   1HB   LYS  23          2HB       LYS  23   1.849  13.945  -5.036
  162   2HB   LYS  23          1HB       LYS  23   1.094  12.472  -4.451
  163   1HG   LYS  23          2HG       LYS  23  -0.917  13.006  -5.757
  164   2HG   LYS  23          1HG       LYS  23  -0.120  14.460  -6.361
  165   1HD   LYS  23          2HD       LYS  23   1.641  13.074  -7.353
  166   2HD   LYS  23          1HD       LYS  23   0.832  11.627  -6.755
  167   1HE   LYS  23          2HE       LYS  23  -1.138  12.174  -8.101
  168   2HE   LYS  23          1HE       LYS  23  -0.323  13.622  -8.692
  169   1HZ   LYS  23          1HZ       LYS  23  -0.169  11.832 -10.279
  170   2HZ   LYS  23          2HZ       LYS  23   0.540  10.825  -9.140
  171   3HZ   LYS  23          3HZ       LYS  23   1.367  12.180  -9.686
  172    H    ALA  24           H        ALA  24  -0.172  12.061  -2.266
  173    HA   ALA  24           HA       ALA  24  -2.876  11.749  -3.060
  174   1HB   ALA  24          1HB       ALA  24  -1.391  10.399  -0.808
  175   2HB   ALA  24          2HB       ALA  24  -1.426   9.851  -2.481
  176   3HB   ALA  24          3HB       ALA  24  -2.909   9.858  -1.524
  177    H    ASN  25           H        ASN  25  -1.315  13.188  -0.337
  178    HA   ASN  25           HA       ASN  25  -3.540  13.379   1.419
  179   1HB   ASN  25          2HB       ASN  25  -1.028  13.794   1.892
  180   2HB   ASN  25          1HB       ASN  25  -1.300  15.349   1.186
  181   1HD2  ASN  25          1HD2      ASN  25  -2.028  13.386   3.951
  182   2HD2  ASN  25          2HD2      ASN  25  -2.660  14.656   4.927
  183    H    GLU  26           H        GLU  26  -1.972  15.662  -0.702
  184    HA   GLU  26           HA       GLU  26  -3.825  17.774  -0.524
  185   1HB   GLU  26          2HB       GLU  26  -1.595  18.103  -1.450
  186   2HB   GLU  26          1HB       GLU  26  -1.989  17.070  -2.816
  187   1HG   GLU  26          2HG       GLU  26  -3.680  18.674  -3.539
  188   2HG   GLU  26          1HG       GLU  26  -3.282  19.709  -2.175
  189    H    SER  27           H        SER  27  -3.729  15.027  -2.765
  190    HA   SER  27           HA       SER  27  -5.939  15.990  -4.302
  191   1HB   SER  27          2HB       SER  27  -4.605  13.303  -4.217
  192   2HB   SER  27          1HB       SER  27  -5.724  13.855  -5.463
  193    HG   SER  27           HG       SER  27  -3.140  14.819  -4.847
  194    H    LYS  28           H        LYS  28  -5.654  14.461  -1.319
  195    HA   LYS  28           HA       LYS  28  -7.024  13.365   0.086
  196   1HB   LYS  28          2HB       LYS  28  -9.066  14.610  -1.655
  197   2HB   LYS  28          1HB       LYS  28  -9.479  13.822  -0.133
  198   1HG   LYS  28          2HG       LYS  28  -8.025  15.463   1.035
  199   2HG   LYS  28          1HG       LYS  28  -7.746  16.267  -0.511
  200   1HD   LYS  28          2HD       LYS  28 -10.145  16.707  -0.707
  201   2HD   LYS  28          1HD       LYS  28 -10.419  15.902   0.840
  202   1HE   LYS  28          2HE       LYS  28  -9.018  17.560   1.951
  203   2HE   LYS  28          1HE       LYS  28  -8.726  18.356   0.409
  204   1HZ   LYS  28          1HZ       LYS  28 -11.348  18.072   1.761
  205   2HZ   LYS  28          2HZ       LYS  28 -11.128  18.772   0.256
  206   3HZ   LYS  28          3HZ       LYS  28 -10.466  19.498   1.619
  207    H    THR  29           H        THR  29  -5.986  11.932  -2.009
  208    HA   THR  29           HA       THR  29  -7.984  10.099  -2.999
  209    HB   THR  29           HB       THR  29  -5.026   9.845  -3.060
  210    HG1  THR  29           1HG      THR  29  -6.460  10.927  -5.266
  211   1HG2  THR  29          1HG2      THR  29  -5.445   8.619  -5.190
  212   2HG2  THR  29          2HG2      THR  29  -7.177   8.835  -4.924
  213   3HG2  THR  29          3HG2      THR  29  -6.227   7.876  -3.792
  214    H    LEU  30           H        LEU  30  -8.080   8.002  -2.305
  215    HA   LEU  30           HA       LEU  30  -7.275   7.556   0.402
  216   1HB   LEU  30          2HB       LEU  30  -9.494   6.802  -0.542
  217   2HB   LEU  30          1HB       LEU  30  -8.656   5.677  -1.567
  218    HG   LEU  30           HG       LEU  30  -8.782   5.499   1.464
  219   1HD1  LEU  30          1HD1      LEU  30 -10.962   5.189   0.486
  220   2HD1  LEU  30          2HD1      LEU  30 -10.324   3.649   1.061
  221   3HD1  LEU  30          3HD1      LEU  30 -10.307   4.018  -0.660
  222   1HD2  LEU  30          1HD2      LEU  30  -6.801   4.366   0.520
  223   2HD2  LEU  30          2HD2      LEU  30  -7.848   3.446  -0.565
  224   3HD2  LEU  30          3HD2      LEU  30  -7.962   3.219   1.175
  225    H    VAL  31           H        VAL  31  -5.406   6.222   0.937
  226    HA   VAL  31           HA       VAL  31  -3.999   5.195  -1.392
  227    HB   VAL  31           HB       VAL  31  -3.075   7.364  -0.850
  228   1HG1  VAL  31          1HG1      VAL  31  -1.911   7.817   1.255
  229   2HG1  VAL  31          2HG1      VAL  31  -2.499   6.274   1.876
  230   3HG1  VAL  31          3HG1      VAL  31  -3.645   7.553   1.470
  231   1HG2  VAL  31          1HG2      VAL  31  -0.703   6.759  -0.559
  232   2HG2  VAL  31          2HG2      VAL  31  -1.530   5.711  -1.712
  233   3HG2  VAL  31          3HG2      VAL  31  -1.195   5.136  -0.079
  234    H    VAL  32           H        VAL  32  -2.982   3.309  -1.209
  235    HA   VAL  32           HA       VAL  32  -2.946   2.057   1.430
  236    HB   VAL  32           HB       VAL  32  -4.522   0.953  -0.225
  237   1HG1  VAL  32          1HG1      VAL  32  -3.694  -0.377  -2.018
  238   2HG1  VAL  32          2HG1      VAL  32  -2.104   0.358  -1.799
  239   3HG1  VAL  32          3HG1      VAL  32  -3.491   1.361  -2.250
  240   1HG2  VAL  32          1HG2      VAL  32  -3.597  -0.357   1.617
  241   2HG2  VAL  32          2HG2      VAL  32  -2.185  -0.743   0.636
  242   3HG2  VAL  32          3HG2      VAL  32  -3.775  -1.346   0.166
  243    H    VAL  33           H        VAL  33  -1.030   1.538   2.179
  244    HA   VAL  33           HA       VAL  33   1.246   1.558   0.314
  245    HB   VAL  33           HB       VAL  33   1.185   2.503   3.186
  246   1HG1  VAL  33          1HG1      VAL  33   3.491   3.184   2.804
  247   2HG1  VAL  33          2HG1      VAL  33   3.424   2.507   1.178
  248   3HG1  VAL  33          3HG1      VAL  33   3.293   1.445   2.580
  249   1HG2  VAL  33          1HG2      VAL  33   1.640   4.731   2.255
  250   2HG2  VAL  33          2HG2      VAL  33   0.097   4.094   1.687
  251   3HG2  VAL  33          3HG2      VAL  33   1.505   4.074   0.625
  252    H    ASP  34           H        ASP  34   2.025  -0.445   0.172
  253    HA   ASP  34           HA       ASP  34   1.971  -2.080   2.598
  254   1HB   ASP  34          2HB       ASP  34   0.843  -3.186   0.779
  255   2HB   ASP  34          1HB       ASP  34   2.221  -2.928  -0.286
  256    H    PHE  35           H        PHE  35   3.737  -2.300   3.659
  257    HA   PHE  35           HA       PHE  35   6.290  -1.576   2.486
  258   1HB   PHE  35          2HB       PHE  35   5.486  -2.301   5.308
  259   2HB   PHE  35          1HB       PHE  35   7.074  -1.773   4.782
  260    HD1  PHE  35           1HD      PHE  35   3.632  -0.733   5.484
  261    HD2  PHE  35           2HD      PHE  35   7.512   0.556   4.295
  262    HE1  PHE  35           1HE      PHE  35   2.990   1.600   5.926
  263    HE2  PHE  35           2HE      PHE  35   6.877   2.889   4.735
  264    HZ   PHE  35           HZ       PHE  35   4.614   3.414   5.553
  265    H    THR  36           H        THR  36   7.540  -3.157   1.677
  266    HA   THR  36           HA       THR  36   7.583  -5.762   2.868
  267    HB   THR  36           HB       THR  36   5.557  -5.800   1.379
  268    HG1  THR  36           1HG      THR  36   6.392  -7.730   1.613
  269   1HG2  THR  36          1HG2      THR  36   7.605  -5.401  -0.806
  270   2HG2  THR  36          2HG2      THR  36   6.342  -4.254  -0.348
  271   3HG2  THR  36          3HG2      THR  36   5.906  -5.811  -1.056
  272    H    ALA  37           H        ALA  37   9.030  -7.165   1.283
  273    HA   ALA  37           HA       ALA  37  11.040  -5.486  -0.028
  274   1HB   ALA  37          1HB       ALA  37  11.607  -7.850   1.773
  275   2HB   ALA  37          2HB       ALA  37  11.966  -6.164   2.141
  276   3HB   ALA  37          3HB       ALA  37  12.810  -6.981   0.827
  277    H    SER  38           H        SER  38  11.897  -6.405  -1.864
  278    HA   SER  38           HA       SER  38  10.170  -8.118  -3.265
  279   1HB   SER  38          2HB       SER  38  11.569  -6.385  -4.349
  280   2HB   SER  38          1HB       SER  38  13.011  -7.318  -3.981
  281    HG   SER  38           HG       SER  38  12.670  -8.330  -5.753
  282    H    TRP  39           H        TRP  39  12.911  -8.848  -1.262
  283    HA   TRP  39           HA       TRP  39  13.234 -11.495  -2.342
  284   1HB   TRP  39          2HB       TRP  39  14.944 -11.821  -0.514
  285   2HB   TRP  39          1HB       TRP  39  15.251 -10.452  -1.555
  286    HD1  TRP  39           HD       TRP  39  15.523  -8.204  -0.442
  287    HE1  TRP  39           1HE      TRP  39  15.524  -7.324   1.997
  288    HE3  TRP  39           3HE      TRP  39  13.655 -12.328   1.878
  289    HZ2  TRP  39           2HZ      TRP  39  14.812  -8.280   4.543
  290    HZ3  TRP  39           3HZ      TRP  39  13.345 -12.277   4.314
  291    HH2  TRP  39           HH       TRP  39  13.912 -10.292   5.619
  292    H    CYS  40           H        CYS  40  10.806 -10.382  -0.665
  293    HA   CYS  40           HA       CYS  40  10.627 -12.535   1.284
  294   1HB   CYS  40          2HB       CYS  40   9.995 -10.345   2.049
  295   2HB   CYS  40          1HB       CYS  40   8.877 -10.140   0.712
  296    H    GLY  41           H        GLY  41   9.624 -14.375   0.870
  297   1HA   GLY  41          2HA       GLY  41   8.541 -15.020  -1.662
  298   2HA   GLY  41          1HA       GLY  41   8.501 -16.034  -0.234
  299    HA   PRO  42           HA       PRO  42   4.147 -15.422   0.465
  300   1HB   PRO  42          2HB       PRO  42   3.938 -13.936   2.817
  301   2HB   PRO  42          1HB       PRO  42   4.121 -15.691   2.744
  302   1HG   PRO  42          2HG       PRO  42   6.196 -13.584   3.188
  303   2HG   PRO  42          1HG       PRO  42   6.032 -15.171   3.961
  304   1HD   PRO  42          2HD       PRO  42   7.836 -14.757   2.043
  305   2HD   PRO  42          1HD       PRO  42   6.934 -16.288   2.125
  306    H    CYS  43           H        CYS  43   6.099 -12.594   0.873
  307    HA   CYS  43           HA       CYS  43   4.108 -10.632   0.492
  308   1HB   CYS  43          2HB       CYS  43   7.049 -10.513  -0.083
  309   2HB   CYS  43          1HB       CYS  43   5.976  -9.132   0.119
  310    H    ARG  44           H        ARG  44   6.286 -12.355  -1.747
  311    HA   ARG  44           HA       ARG  44   5.467 -10.894  -4.043
  312   1HB   ARG  44          2HB       ARG  44   7.611 -12.242  -3.790
  313   2HB   ARG  44          1HB       ARG  44   6.638 -13.693  -3.850
  314   1HG   ARG  44          2HG       ARG  44   6.901 -11.692  -6.104
  315   2HG   ARG  44          1HG       ARG  44   7.830 -13.177  -5.958
  316   1HD   ARG  44          2HD       ARG  44   4.835 -12.934  -6.302
  317   2HD   ARG  44          1HD       ARG  44   5.983 -13.451  -7.534
  318    HE   ARG  44           HE       ARG  44   6.428 -15.221  -5.598
  319   1HH1  ARG  44          1HH1      ARG  44   3.393 -14.108  -7.057
  320   2HH1  ARG  44          2HH1      ARG  44   2.548 -15.567  -6.842
  321   1HH2  ARG  44          1HH2      ARG  44   5.282 -17.253  -5.272
  322   2HH2  ARG  44          2HH2      ARG  44   3.677 -17.429  -5.800
  323    H    PHE  45           H        PHE  45   4.475 -13.773  -2.379
  324    HA   PHE  45           HA       PHE  45   2.639 -14.791  -4.232
  325   1HB   PHE  45          2HB       PHE  45   3.507 -16.141  -2.421
  326   2HB   PHE  45          1HB       PHE  45   2.769 -15.086  -1.231
  327    HD1  PHE  45           1HD      PHE  45   1.997 -17.468  -3.957
  328    HD2  PHE  45           2HD      PHE  45   0.600 -15.489  -0.460
  329    HE1  PHE  45           1HE      PHE  45   0.002 -18.912  -3.936
  330    HE2  PHE  45           2HE      PHE  45  -1.391 -16.923  -0.433
  331    HZ   PHE  45           HZ       PHE  45  -1.690 -18.638  -2.172
  332    H    ILE  46           H        ILE  46   2.266 -12.265  -1.816
  333    HA   ILE  46           HA       ILE  46  -0.618 -12.240  -2.169
  334    HB   ILE  46           HB       ILE  46   0.494 -11.797   0.081
  335   1HG1  ILE  46          2HG1      ILE  46  -0.989  -9.890   0.729
  336   2HG1  ILE  46          1HG1      ILE  46  -1.376  -9.667  -0.978
  337   1HG2  ILE  46          1HG2      ILE  46   1.362  -9.567   0.556
  338   2HG2  ILE  46          2HG2      ILE  46   1.194  -9.145  -1.148
  339   3HG2  ILE  46          3HG2      ILE  46   2.324 -10.403  -0.664
  340   1HD1  ILE  46          1HD1      ILE  46  -1.902 -12.097   0.687
  341   2HD1  ILE  46          2HD1      ILE  46  -2.327 -11.927  -1.024
  342   3HD1  ILE  46          3HD1      ILE  46  -3.103 -10.904   0.194
  343    H    ALA  47           H        ALA  47   2.010 -10.986  -3.779
  344    HA   ALA  47           HA       ALA  47   1.224  -8.375  -4.401
  345   1HB   ALA  47          1HB       ALA  47   2.914  -8.361  -6.121
  346   2HB   ALA  47          2HB       ALA  47   2.975 -10.119  -6.122
  347   3HB   ALA  47          3HB       ALA  47   3.536  -9.223  -4.711
  348    HA   PRO  48           HA       PRO  48  -0.666 -10.128  -8.632
  349   1HB   PRO  48          2HB       PRO  48  -1.968 -12.552  -8.114
  350   2HB   PRO  48          1HB       PRO  48  -0.488 -12.357  -9.053
  351   1HG   PRO  48          2HG       PRO  48  -0.832 -13.150  -6.203
  352   2HG   PRO  48          1HG       PRO  48   0.349 -13.713  -7.398
  353   1HD   PRO  48          2HD       PRO  48   1.045 -12.005  -5.479
  354   2HD   PRO  48          1HD       PRO  48   1.705 -11.854  -7.118
  355    H    PHE  49           H        PHE  49  -1.881 -10.869  -5.456
  356    HA   PHE  49           HA       PHE  49  -4.613 -10.372  -6.134
  357   1HB   PHE  49          2HB       PHE  49  -4.048 -11.893  -4.285
  358   2HB   PHE  49          1HB       PHE  49  -3.305 -10.561  -3.406
  359    HD1  PHE  49           1HD      PHE  49  -6.530 -11.594  -4.935
  360    HD2  PHE  49           2HD      PHE  49  -4.576  -9.377  -1.882
  361    HE1  PHE  49           1HE      PHE  49  -8.708 -11.089  -3.917
  362    HE2  PHE  49           2HE      PHE  49  -6.749  -8.872  -0.859
  363    HZ   PHE  49           HZ       PHE  49  -8.817  -9.725  -1.878
  364    H    PHE  50           H        PHE  50  -2.085  -8.560  -4.469
  365    HA   PHE  50           HA       PHE  50  -3.583  -6.152  -4.010
  366   1HB   PHE  50          2HB       PHE  50  -1.398  -6.765  -2.903
  367   2HB   PHE  50          1HB       PHE  50  -0.599  -6.517  -4.442
  368    HD1  PHE  50           1HD      PHE  50  -0.134  -4.295  -5.251
  369    HD2  PHE  50           2HD      PHE  50  -2.279  -4.888  -1.627
  370    HE1  PHE  50           1HE      PHE  50   0.209  -1.938  -4.667
  371    HE2  PHE  50           2HE      PHE  50  -1.939  -2.523  -1.038
  372    HZ   PHE  50           HZ       PHE  50  -0.689  -1.047  -2.565
  373    H    ALA  51           H        ALA  51  -1.773  -7.355  -6.735
  374    HA   ALA  51           HA       ALA  51  -1.897  -5.018  -8.316
  375   1HB   ALA  51          1HB       ALA  51  -1.401  -6.489 -10.210
  376   2HB   ALA  51          2HB       ALA  51  -1.759  -7.899  -9.210
  377   3HB   ALA  51          3HB       ALA  51  -0.378  -6.872  -8.824
  378    H    ASP  52           H        ASP  52  -4.148  -7.620  -7.729
  379    HA   ASP  52           HA       ASP  52  -6.040  -7.079  -9.788
  380   1HB   ASP  52          2HB       ASP  52  -6.005  -9.138  -8.356
  381   2HB   ASP  52          1HB       ASP  52  -6.525  -8.155  -7.023
  382    H    LEU  53           H        LEU  53  -5.807  -6.136  -6.432
  383    HA   LEU  53           HA       LEU  53  -7.878  -4.355  -6.223
  384   1HB   LEU  53          2HB       LEU  53  -5.258  -4.752  -5.003
  385   2HB   LEU  53          1HB       LEU  53  -5.961  -3.238  -4.615
  386    HG   LEU  53           HG       LEU  53  -7.939  -4.596  -3.747
  387   1HD1  LEU  53          1HD1      LEU  53  -5.987  -6.851  -4.037
  388   2HD1  LEU  53          2HD1      LEU  53  -7.518  -6.670  -4.891
  389   3HD1  LEU  53          3HD1      LEU  53  -7.503  -6.913  -3.143
  390   1HD2  LEU  53          1HD2      LEU  53  -6.340  -3.545  -2.275
  391   2HD2  LEU  53          2HD2      LEU  53  -5.247  -4.917  -2.443
  392   3HD2  LEU  53          3HD2      LEU  53  -6.804  -5.121  -1.638
  393    H    ALA  54           H        ALA  54  -4.594  -3.784  -7.366
  394    HA   ALA  54           HA       ALA  54  -4.856  -1.032  -7.828
  395   1HB   ALA  54          1HB       ALA  54  -2.847  -1.216  -9.180
  396   2HB   ALA  54          2HB       ALA  54  -3.045  -2.968  -9.262
  397   3HB   ALA  54          3HB       ALA  54  -2.696  -2.191  -7.718
  398    H    LYS  55           H        LYS  55  -5.749  -3.749  -9.771
  399    HA   LYS  55           HA       LYS  55  -6.216  -2.226 -12.157
  400   1HB   LYS  55          2HB       LYS  55  -5.606  -4.611 -12.186
  401   2HB   LYS  55          1HB       LYS  55  -7.089  -4.999 -11.339
  402   1HG   LYS  55          2HG       LYS  55  -8.358  -4.114 -13.278
  403   2HG   LYS  55          1HG       LYS  55  -6.824  -3.890 -14.119
  404   1HD   LYS  55          2HD       LYS  55  -6.364  -6.283 -13.916
  405   2HD   LYS  55          1HD       LYS  55  -7.908  -6.508 -13.086
  406   1HE   LYS  55          2HE       LYS  55  -9.045  -5.611 -15.103
  407   2HE   LYS  55          1HE       LYS  55  -7.485  -5.539 -15.902
  408   1HZ   LYS  55          1HZ       LYS  55  -7.287  -7.969 -15.603
  409   2HZ   LYS  55          2HZ       LYS  55  -8.632  -7.528 -16.511
  410   3HZ   LYS  55          3HZ       LYS  55  -8.828  -7.983 -14.906
  411    H    LYS  56           H        LYS  56  -7.973  -3.021  -9.286
  412    HA   LYS  56           HA       LYS  56 -10.574  -2.620 -10.547
  413   1HB   LYS  56          2HB       LYS  56 -10.288  -4.597  -9.224
  414   2HB   LYS  56          1HB       LYS  56  -9.812  -3.647  -7.827
  415   1HG   LYS  56          2HG       LYS  56 -12.072  -2.656  -7.763
  416   2HG   LYS  56          1HG       LYS  56 -12.526  -3.665  -9.138
  417   1HD   LYS  56          2HD       LYS  56 -11.590  -4.697  -6.453
  418   2HD   LYS  56          1HD       LYS  56 -13.271  -4.611  -6.970
  419   1HE   LYS  56          2HE       LYS  56 -12.802  -6.163  -8.793
  420   2HE   LYS  56          1HE       LYS  56 -11.103  -6.234  -8.322
  421   1HZ   LYS  56          1HZ       LYS  56 -12.385  -8.129  -7.495
  422   2HZ   LYS  56          2HZ       LYS  56 -13.359  -7.078  -6.579
  423   3HZ   LYS  56          3HZ       LYS  56 -11.728  -7.214  -6.256
  424    H    LEU  57           H        LEU  57  -8.579  -1.080  -7.955
  425    HA   LEU  57           HA       LEU  57 -10.911   0.435  -7.250
  426   1HB   LEU  57          2HB       LEU  57  -8.256   0.138  -5.900
  427   2HB   LEU  57          1HB       LEU  57  -9.549   1.170  -5.322
  428    HG   LEU  57           HG       LEU  57  -9.810  -1.777  -5.754
  429   1HD1  LEU  57          1HD1      LEU  57  -8.199  -1.303  -3.945
  430   2HD1  LEU  57          2HD1      LEU  57  -9.692  -1.983  -3.298
  431   3HD1  LEU  57          3HD1      LEU  57  -9.385  -0.254  -3.163
  432   1HD2  LEU  57          1HD2      LEU  57 -11.596   0.204  -4.351
  433   2HD2  LEU  57          2HD2      LEU  57 -11.833  -1.542  -4.367
  434   3HD2  LEU  57          3HD2      LEU  57 -11.937  -0.632  -5.869
  435    HA   PRO  58           HA       PRO  58  -9.538   3.921  -9.638
  436   1HB   PRO  58          2HB       PRO  58 -11.818   5.302  -9.472
  437   2HB   PRO  58          1HB       PRO  58 -11.688   3.838 -10.453
  438   1HG   PRO  58          2HG       PRO  58 -12.830   4.164  -7.700
  439   2HG   PRO  58          1HG       PRO  58 -13.500   3.283  -9.086
  440   1HD   PRO  58          2HD       PRO  58 -12.130   1.993  -7.086
  441   2HD   PRO  58          1HD       PRO  58 -12.133   1.472  -8.771
  442    H    ASN  59           H        ASN  59 -10.839   4.171  -6.324
  443    HA   ASN  59           HA       ASN  59 -10.024   7.000  -6.135
  444   1HB   ASN  59          2HB       ASN  59 -12.298   6.096  -5.313
  445   2HB   ASN  59          1HB       ASN  59 -11.381   5.298  -4.052
  446   1HD2  ASN  59          1HD2      ASN  59 -13.502   7.252  -3.825
  447   2HD2  ASN  59          2HD2      ASN  59 -12.878   8.593  -2.947
  448    H    VAL  60           H        VAL  60  -8.638   4.056  -5.751
  449    HA   VAL  60           HA       VAL  60  -7.187   4.845  -3.342
  450    HB   VAL  60           HB       VAL  60  -7.422   2.078  -4.537
  451   1HG1  VAL  60          1HG1      VAL  60  -6.265   2.989  -1.904
  452   2HG1  VAL  60          2HG1      VAL  60  -5.369   2.354  -3.280
  453   3HG1  VAL  60          3HG1      VAL  60  -6.483   1.309  -2.397
  454   1HG2  VAL  60          1HG2      VAL  60  -8.885   1.611  -2.574
  455   2HG2  VAL  60          2HG2      VAL  60  -9.568   2.746  -3.730
  456   3HG2  VAL  60          3HG2      VAL  60  -8.895   3.344  -2.222
  457    H    LEU  61           H        LEU  61  -5.144   5.270  -3.441
  458    HA   LEU  61           HA       LEU  61  -3.619   4.793  -5.902
  459   1HB   LEU  61          2HB       LEU  61  -3.653   7.077  -4.845
  460   2HB   LEU  61          1HB       LEU  61  -2.917   6.387  -3.416
  461    HG   LEU  61           HG       LEU  61  -0.916   5.810  -4.773
  462   1HD1  LEU  61          1HD1      LEU  61  -0.646   6.831  -6.975
  463   2HD1  LEU  61          2HD1      LEU  61  -2.320   7.379  -6.928
  464   3HD1  LEU  61          3HD1      LEU  61  -1.956   5.654  -6.960
  465   1HD2  LEU  61          1HD2      LEU  61  -0.081   8.103  -4.959
  466   2HD2  LEU  61          2HD2      LEU  61  -0.972   7.856  -3.460
  467   3HD2  LEU  61          3HD2      LEU  61  -1.726   8.716  -4.805
  468    H    PHE  62           H        PHE  62  -1.931   3.284  -5.863
  469    HA   PHE  62           HA       PHE  62  -1.858   1.645  -3.404
  470   1HB   PHE  62          2HB       PHE  62  -1.080   0.717  -6.124
  471   2HB   PHE  62          1HB       PHE  62  -1.587  -0.243  -4.755
  472    HD1  PHE  62           1HD      PHE  62  -3.954  -0.426  -4.121
  473    HD2  PHE  62           2HD      PHE  62  -2.747   1.736  -7.575
  474    HE1  PHE  62           1HE      PHE  62  -6.272  -0.415  -4.924
  475    HE2  PHE  62           2HE      PHE  62  -5.058   1.752  -8.386
  476    HZ   PHE  62           HZ       PHE  62  -6.817   0.689  -7.081
  477    H    LEU  63           H        LEU  63   0.145   1.417  -2.515
  478    HA   LEU  63           HA       LEU  63   2.515   1.950  -4.137
  479   1HB   LEU  63          2HB       LEU  63   1.959   3.002  -1.386
  480   2HB   LEU  63          1HB       LEU  63   3.570   2.871  -2.034
  481    HG   LEU  63           HG       LEU  63   2.826   4.442  -3.876
  482   1HD1  LEU  63          1HD1      LEU  63   0.467   4.860  -2.067
  483   2HD1  LEU  63          2HD1      LEU  63   0.433   4.188  -3.696
  484   3HD1  LEU  63          3HD1      LEU  63   0.903   5.871  -3.444
  485   1HD2  LEU  63          1HD2      LEU  63   4.203   5.170  -2.029
  486   2HD2  LEU  63          2HD2      LEU  63   2.769   5.435  -1.038
  487   3HD2  LEU  63          3HD2      LEU  63   3.050   6.426  -2.468
  488    H    LYS  64           H        LYS  64   4.281   0.696  -3.791
  489    HA   LYS  64           HA       LYS  64   4.190  -1.309  -1.703
  490   1HB   LYS  64          2HB       LYS  64   5.362  -1.238  -4.468
  491   2HB   LYS  64          1HB       LYS  64   5.692  -2.481  -3.288
  492   1HG   LYS  64          2HG       LYS  64   2.961  -1.809  -4.327
  493   2HG   LYS  64          1HG       LYS  64   3.965  -3.071  -5.048
  494   1HD   LYS  64          2HD       LYS  64   3.003  -3.009  -2.181
  495   2HD   LYS  64          1HD       LYS  64   2.223  -3.912  -3.480
  496   1HE   LYS  64          2HE       LYS  64   4.280  -5.185  -3.819
  497   2HE   LYS  64          1HE       LYS  64   5.053  -4.295  -2.510
  498   1HZ   LYS  64          1HZ       LYS  64   3.473  -5.223  -0.955
  499   2HZ   LYS  64          2HZ       LYS  64   4.240  -6.445  -1.793
  500   3HZ   LYS  64          3HZ       LYS  64   2.658  -6.033  -2.194
  501    H    VAL  65           H        VAL  65   5.664  -0.714  -0.215
  502    HA   VAL  65           HA       VAL  65   7.893   0.980  -1.092
  503    HB   VAL  65           HB       VAL  65   6.732   0.621   1.689
  504   1HG1  VAL  65          1HG1      VAL  65   8.223   2.445   2.342
  505   2HG1  VAL  65          2HG1      VAL  65   8.916   2.463   0.719
  506   3HG1  VAL  65          3HG1      VAL  65   9.137   1.055   1.756
  507   1HG2  VAL  65          1HG2      VAL  65   6.612   2.964  -0.205
  508   2HG2  VAL  65          2HG2      VAL  65   5.977   2.935   1.440
  509   3HG2  VAL  65          3HG2      VAL  65   5.279   1.889   0.204
  510    H    ASP  66           H        ASP  66   9.764   0.006  -1.269
  511    HA   ASP  66           HA       ASP  66  10.049  -2.642  -0.192
  512   1HB   ASP  66          2HB       ASP  66  10.995  -2.069  -2.431
  513   2HB   ASP  66          1HB       ASP  66  12.143  -1.039  -1.569
  514    H    THR  67           H        THR  67  10.487  -2.979   1.654
  515    HA   THR  67           HA       THR  67  11.390  -1.096   3.537
  516    HB   THR  67           HB       THR  67  10.888  -3.959   3.639
  517    HG1  THR  67           1HG      THR  67   9.251  -2.156   3.036
  518   1HG2  THR  67          1HG2      THR  67  10.927  -1.958   5.886
  519   2HG2  THR  67          2HG2      THR  67  12.027  -3.333   5.663
  520   3HG2  THR  67          3HG2      THR  67  10.319  -3.605   6.044
  521    H    ASP  68           H        ASP  68  13.056  -3.348   1.532
  522    HA   ASP  68           HA       ASP  68  15.234  -3.710   3.376
  523   1HB   ASP  68          2HB       ASP  68  14.588  -5.447   1.668
  524   2HB   ASP  68          1HB       ASP  68  15.140  -4.332   0.428
  525    H    GLU  69           H        GLU  69  14.566  -2.013   0.342
  526    HA   GLU  69           HA       GLU  69  16.946  -0.549   0.263
  527   1HB   GLU  69          2HB       GLU  69  14.327  -0.394  -1.052
  528   2HB   GLU  69          1HB       GLU  69  15.278   1.064  -1.036
  529   1HG   GLU  69          2HG       GLU  69  15.775   0.035  -3.099
  530   2HG   GLU  69          1HG       GLU  69  17.132  -0.381  -2.075
  531    H    LEU  70           H        LEU  70  13.676   0.353   1.531
  532    HA   LEU  70           HA       LEU  70  14.817   2.875   2.402
  533   1HB   LEU  70          2HB       LEU  70  12.663   2.720   1.117
  534   2HB   LEU  70          1HB       LEU  70  11.976   1.827   2.458
  535    HG   LEU  70           HG       LEU  70  12.357   3.699   3.884
  536   1HD1  LEU  70          1HD1      LEU  70  14.181   4.823   2.680
  537   2HD1  LEU  70          2HD1      LEU  70  12.839   5.942   2.885
  538   3HD1  LEU  70          3HD1      LEU  70  13.100   5.157   1.328
  539   1HD2  LEU  70          1HD2      LEU  70  10.176   3.421   2.914
  540   2HD2  LEU  70          2HD2      LEU  70  10.669   4.290   1.461
  541   3HD2  LEU  70          3HD2      LEU  70  10.538   5.143   3.000
  542    H    LYS  71           H        LYS  71  15.909   0.897   3.662
  543    HA   LYS  71           HA       LYS  71  14.770  -0.535   5.731
  544   1HB   LYS  71          2HB       LYS  71  17.098  -0.633   4.570
  545   2HB   LYS  71          1HB       LYS  71  17.598   0.471   5.830
  546   1HG   LYS  71          2HG       LYS  71  16.507  -2.310   6.231
  547   2HG   LYS  71          1HG       LYS  71  18.196  -1.851   6.312
  548   1HD   LYS  71          2HD       LYS  71  17.709  -0.454   8.273
  549   2HD   LYS  71          1HD       LYS  71  16.004  -0.894   8.158
  550   1HE   LYS  71          2HE       LYS  71  16.624  -3.267   8.463
  551   2HE   LYS  71          1HE       LYS  71  18.305  -2.781   8.648
  552   1HZ   LYS  71          1HZ       LYS  71  17.240  -3.123  10.774
  553   2HZ   LYS  71          2HZ       LYS  71  16.064  -1.992  10.432
  554   3HZ   LYS  71          3HZ       LYS  71  17.673  -1.508  10.617
  555    H    SER  72           H        SER  72  16.424   2.656   5.956
  556    HA   SER  72           HA       SER  72  16.173   2.735   8.790
  557   1HB   SER  72          2HB       SER  72  16.826   4.940   6.870
  558   2HB   SER  72          1HB       SER  72  16.988   5.065   8.619
  559    HG   SER  72           HG       SER  72  18.245   2.917   7.336
  560    H    VAL  73           H        VAL  73  14.312   4.305   6.212
  561    HA   VAL  73           HA       VAL  73  12.668   5.697   8.068
  562    HB   VAL  73           HB       VAL  73  12.164   5.105   5.127
  563   1HG1  VAL  73          1HG1      VAL  73  10.053   5.539   6.261
  564   2HG1  VAL  73          2HG1      VAL  73  10.490   6.895   5.222
  565   3HG1  VAL  73          3HG1      VAL  73  10.725   7.006   6.967
  566   1HG2  VAL  73          1HG2      VAL  73  12.826   7.439   4.791
  567   2HG2  VAL  73          2HG2      VAL  73  14.125   6.501   5.531
  568   3HG2  VAL  73          3HG2      VAL  73  13.151   7.586   6.518
  569    H    ALA  74           H        ALA  74  12.375   2.600   6.406
  570    HA   ALA  74           HA       ALA  74   9.760   2.030   7.283
  571   1HB   ALA  74          1HB       ALA  74  11.984   0.082   6.680
  572   2HB   ALA  74          2HB       ALA  74  10.879   0.780   5.494
  573   3HB   ALA  74          3HB       ALA  74  10.257  -0.281   6.762
  574    H    SER  75           H        SER  75  12.887   1.703   8.810
  575    HA   SER  75           HA       SER  75  12.078   0.190  11.035
  576   1HB   SER  75          2HB       SER  75  14.459   0.513  10.418
  577   2HB   SER  75          1HB       SER  75  14.322   2.221  10.811
  578    HG   SER  75           HG       SER  75  13.446   0.953  12.911
  579    H    ASP  76           H        ASP  76  11.846   3.602  10.256
  580    HA   ASP  76           HA       ASP  76  11.170   4.432  12.907
  581   1HB   ASP  76          2HB       ASP  76  12.106   6.047  11.313
  582   2HB   ASP  76          1HB       ASP  76  10.708   5.838  10.262
  583    H    TRP  77           H        TRP  77   9.400   3.445  10.086
  584    HA   TRP  77           HA       TRP  77   6.858   3.881  11.279
  585   1HB   TRP  77          2HB       TRP  77   7.699   2.413   8.824
  586   2HB   TRP  77          1HB       TRP  77   6.005   2.511   9.308
  587    HD1  TRP  77           HD       TRP  77   8.790   4.512   7.688
  588    HE1  TRP  77           1HE      TRP  77   7.851   6.752   6.840
  589    HE3  TRP  77           3HE      TRP  77   4.160   4.302   9.820
  590    HZ2  TRP  77           2HZ      TRP  77   5.457   8.231   7.039
  591    HZ3  TRP  77           3HZ      TRP  77   2.606   6.165   9.447
  592    HH2  TRP  77           HH       TRP  77   3.240   8.088   8.085
  593    H    ALA  78           H        ALA  78   9.140   1.793  12.098
  594    HA   ALA  78           HA       ALA  78   9.281  -0.030  13.419
  595   1HB   ALA  78          1HB       ALA  78   7.366  -0.661  14.799
  596   2HB   ALA  78          2HB       ALA  78   6.294   0.279  13.760
  597   3HB   ALA  78          3HB       ALA  78   7.517   1.097  14.731
  598    H    ILE  79           H        ILE  79   8.699  -0.264  10.533
  599    HA   ILE  79           HA       ILE  79   7.080  -2.610  10.257
  600    HB   ILE  79           HB       ILE  79   8.931  -1.309   8.243
  601   1HG1  ILE  79          2HG1      ILE  79   7.163   0.238   8.926
  602   2HG1  ILE  79          1HG1      ILE  79   6.880  -0.309   7.280
  603   1HG2  ILE  79          1HG2      ILE  79   8.465  -3.637   7.691
  604   2HG2  ILE  79          2HG2      ILE  79   7.672  -2.556   6.550
  605   3HG2  ILE  79          3HG2      ILE  79   6.730  -3.339   7.820
  606   1HD1  ILE  79          1HD1      ILE  79   4.810  -0.189   8.531
  607   2HD1  ILE  79          2HD1      ILE  79   5.451  -1.275   9.756
  608   3HD1  ILE  79          3HD1      ILE  79   5.172  -1.862   8.113
  609    H    GLN  80           H        GLN  80   7.758  -4.490  10.816
  610    HA   GLN  80           HA       GLN  80  10.546  -5.261  10.267
  611   1HB   GLN  80          2HB       GLN  80  10.245  -4.755  12.693
  612   2HB   GLN  80          1HB       GLN  80   9.032  -6.022  12.771
  613   1HG   GLN  80          2HG       GLN  80  10.748  -7.658  12.078
  614   2HG   GLN  80          1HG       GLN  80  11.950  -6.369  12.119
  615   1HE2  GLN  80          1HE2      GLN  80  13.148  -7.348  13.723
  616   2HE2  GLN  80          2HE2      GLN  80  12.594  -7.451  15.355
  617    H    ALA  81           H        ALA  81   7.177  -6.146  10.601
  618    HA   ALA  81           HA       ALA  81   7.777  -8.813   9.605
  619   1HB   ALA  81          1HB       ALA  81   6.330  -8.700  11.577
  620   2HB   ALA  81          2HB       ALA  81   5.442  -9.326  10.189
  621   3HB   ALA  81          3HB       ALA  81   5.207  -7.655  10.706
  622    H    MET  82           H        MET  82   7.574  -9.117   7.500
  623    HA   MET  82           HA       MET  82   6.113  -7.092   5.990
  624   1HB   MET  82          2HB       MET  82   8.325  -8.946   5.144
  625   2HB   MET  82          1HB       MET  82   7.499  -7.831   4.070
  626   1HG   MET  82          2HG       MET  82   8.318  -5.942   5.385
  627   2HG   MET  82          1HG       MET  82   9.119  -7.061   6.488
  628   1HE   MET  82          1HE       MET  82  11.867  -8.646   4.219
  629   2HE   MET  82          2HE       MET  82  10.242  -9.275   4.461
  630   3HE   MET  82          3HE       MET  82  11.141  -8.604   5.824
  631    HA   PRO  83           HA       PRO  83   5.282  -6.757   4.251
  632   1HB   PRO  83          2HB       PRO  83   3.087  -6.664   2.755
  633   2HB   PRO  83          1HB       PRO  83   4.521  -7.531   2.197
  634   1HG   PRO  83          2HG       PRO  83   1.961  -8.602   3.251
  635   2HG   PRO  83          1HG       PRO  83   3.072  -9.298   2.063
  636   1HD   PRO  83          2HD       PRO  83   2.907  -9.921   4.833
  637   2HD   PRO  83          1HD       PRO  83   4.124 -10.490   3.674
  638    H    THR  84           H        THR  84   4.158  -4.880   4.860
  639    HA   THR  84           HA       THR  84   1.896  -5.309   6.687
  640    HB   THR  84           HB       THR  84   3.820  -3.076   6.633
  641    HG1  THR  84           1HG      THR  84   4.296  -5.428   7.541
  642   1HG2  THR  84          1HG2      THR  84   1.669  -3.752   8.645
  643   2HG2  THR  84          2HG2      THR  84   1.667  -2.395   7.523
  644   3HG2  THR  84          3HG2      THR  84   2.835  -2.444   8.842
  645    H    PHE  85           H        PHE  85   0.004  -4.443   5.982
  646    HA   PHE  85           HA       PHE  85   0.129  -2.658   3.699
  647   1HB   PHE  85          2HB       PHE  85  -2.112  -4.309   4.878
  648   2HB   PHE  85          1HB       PHE  85  -2.237  -3.259   3.492
  649    HD1  PHE  85           1HD      PHE  85  -1.460  -3.958   1.337
  650    HD2  PHE  85           2HD      PHE  85  -0.848  -6.413   4.761
  651    HE1  PHE  85           1HE      PHE  85  -0.862  -5.845  -0.125
  652    HE2  PHE  85           2HE      PHE  85  -0.242  -8.298   3.304
  653    HZ   PHE  85           HZ       PHE  85  -0.248  -8.010   0.854
  654    H    MET  86           H        MET  86  -0.181  -0.634   4.175
  655    HA   MET  86           HA       MET  86  -1.646   0.092   6.604
  656   1HB   MET  86          2HB       MET  86   0.652   0.762   6.596
  657   2HB   MET  86          1HB       MET  86   0.472   1.486   5.008
  658   1HG   MET  86          2HG       MET  86  -0.988   3.177   5.969
  659   2HG   MET  86          1HG       MET  86  -0.793   2.509   7.577
  660   1HE   MET  86          1HE       MET  86   1.348   5.750   7.766
  661   2HE   MET  86          2HE       MET  86   0.067   4.799   8.516
  662   3HE   MET  86          3HE       MET  86  -0.182   5.506   6.919
  663    H    PHE  87           H        PHE  87  -3.573   0.937   6.263
  664    HA   PHE  87           HA       PHE  87  -4.298   1.826   3.619
  665   1HB   PHE  87          2HB       PHE  87  -5.786   0.721   5.958
  666   2HB   PHE  87          1HB       PHE  87  -6.572   1.423   4.566
  667    HD1  PHE  87           1HD      PHE  87  -6.631   0.199   2.456
  668    HD2  PHE  87           2HD      PHE  87  -4.642  -1.411   5.857
  669    HE1  PHE  87           1HE      PHE  87  -6.559  -2.001   1.367
  670    HE2  PHE  87           2HE      PHE  87  -4.561  -3.616   4.766
  671    HZ   PHE  87           HZ       PHE  87  -5.525  -3.910   2.520
  672    H    LEU  88           H        LEU  88  -4.504   3.962   3.441
  673    HA   LEU  88           HA       LEU  88  -5.350   5.363   5.833
  674   1HB   LEU  88          2HB       LEU  88  -3.762   6.572   3.530
  675   2HB   LEU  88          1HB       LEU  88  -4.259   7.406   4.965
  676    HG   LEU  88           HG       LEU  88  -2.665   5.846   6.241
  677   1HD1  LEU  88          1HD1      LEU  88  -1.669   5.313   3.456
  678   2HD1  LEU  88          2HD1      LEU  88  -2.386   4.132   4.550
  679   3HD1  LEU  88          3HD1      LEU  88  -0.840   4.893   4.948
  680   1HD2  LEU  88          1HD2      LEU  88  -2.180   8.189   5.814
  681   2HD2  LEU  88          2HD2      LEU  88  -1.565   7.783   4.212
  682   3HD2  LEU  88          3HD2      LEU  88  -0.718   7.215   5.651
  683    H    LYS  89           H        LYS  89  -6.677   7.351   5.167
  684    HA   LYS  89           HA       LYS  89  -7.870   7.084   2.514
  685   1HB   LYS  89          2HB       LYS  89  -9.420   6.047   4.055
  686   2HB   LYS  89          1HB       LYS  89  -9.349   7.456   5.101
  687   1HG   LYS  89          2HG       LYS  89 -10.505   8.791   3.444
  688   2HG   LYS  89          1HG       LYS  89 -10.469   7.450   2.294
  689   1HD   LYS  89          2HD       LYS  89 -11.865   6.114   3.795
  690   2HD   LYS  89          1HD       LYS  89 -11.868   7.421   4.975
  691   1HE   LYS  89          2HE       LYS  89 -12.962   7.668   2.172
  692   2HE   LYS  89          1HE       LYS  89 -13.941   7.254   3.574
  693   1HZ   LYS  89          1HZ       LYS  89 -14.069   9.608   3.034
  694   2HZ   LYS  89          2HZ       LYS  89 -12.431   9.840   3.252
  695   3HZ   LYS  89          3HZ       LYS  89 -13.407   9.384   4.547
  696    H    GLU  90           H        GLU  90  -7.502   8.810   1.466
  697    HA   GLU  90           HA       GLU  90  -7.316  10.829   0.824
  698   1HB   GLU  90          2HB       GLU  90  -8.860  11.455   3.302
  699   2HB   GLU  90          1HB       GLU  90  -8.613  12.616   1.996
  700   1HG   GLU  90          2HG       GLU  90  -9.801  11.177   0.462
  701   2HG   GLU  90          1HG       GLU  90  -9.988   9.949   1.714
  702    H    GLY  91           H        GLY  91  -5.321   9.691   2.568
  703   1HA   GLY  91          2HA       GLY  91  -3.186  10.509   3.140
  704   2HA   GLY  91          1HA       GLY  91  -3.881  12.110   3.323
  705    H    LYS  92           H        LYS  92  -6.008  10.345   4.991
  706    HA   LYS  92           HA       LYS  92  -4.554  10.716   7.505
  707   1HB   LYS  92          2HB       LYS  92  -6.720  11.836   7.336
  708   2HB   LYS  92          1HB       LYS  92  -7.507  10.318   6.944
  709   1HG   LYS  92          2HG       LYS  92  -6.923   9.457   9.188
  710   2HG   LYS  92          1HG       LYS  92  -6.181  11.007   9.566
  711   1HD   LYS  92          2HD       LYS  92  -9.093  10.600   8.852
  712   2HD   LYS  92          1HD       LYS  92  -8.472  10.798  10.487
  713   1HE   LYS  92          2HE       LYS  92  -7.631  13.011   9.894
  714   2HE   LYS  92          1HE       LYS  92  -8.251  12.824   8.260
  715   1HZ   LYS  92          1HZ       LYS  92 -10.492  12.662   9.185
  716   2HZ   LYS  92          2HZ       LYS  92  -9.769  14.117   9.628
  717   3HZ   LYS  92          3HZ       LYS  92  -9.878  12.876  10.741
  718    H    ILE  93           H        ILE  93  -3.984   9.001   8.717
  719    HA   ILE  93           HA       ILE  93  -4.010   6.369   7.647
  720    HB   ILE  93           HB       ILE  93  -3.404   7.284  10.477
  721   1HG1  ILE  93          2HG1      ILE  93  -1.513   6.621   8.232
  722   2HG1  ILE  93          1HG1      ILE  93  -1.962   8.261   8.631
  723   1HG2  ILE  93          1HG2      ILE  93  -2.177   5.150  10.701
  724   2HG2  ILE  93          2HG2      ILE  93  -2.736   4.668   9.101
  725   3HG2  ILE  93          3HG2      ILE  93  -3.897   4.889  10.409
  726   1HD1  ILE  93          1HD1      ILE  93   0.196   7.709   9.569
  727   2HD1  ILE  93          2HD1      ILE  93  -0.488   6.306  10.390
  728   3HD1  ILE  93          3HD1      ILE  93  -0.966   7.936  10.873
  729    H    LEU  94           H        LEU  94  -5.559   4.781   7.768
  730    HA   LEU  94           HA       LEU  94  -7.622   5.166   9.767
  731   1HB   LEU  94          2HB       LEU  94  -7.634   3.650   7.195
  732   2HB   LEU  94          1HB       LEU  94  -8.893   3.504   8.379
  733    HG   LEU  94           HG       LEU  94  -8.190   5.909   6.713
  734   1HD1  LEU  94          1HD1      LEU  94 -10.501   5.633   5.925
  735   2HD1  LEU  94          2HD1      LEU  94 -10.648   4.181   6.920
  736   3HD1  LEU  94          3HD1      LEU  94  -9.496   4.228   5.588
  737   1HD2  LEU  94          1HD2      LEU  94 -10.051   7.067   7.832
  738   2HD2  LEU  94          2HD2      LEU  94  -8.743   6.703   8.947
  739   3HD2  LEU  94          3HD2      LEU  94 -10.209   5.718   8.958
  740    H    ASP  95           H        ASP  95  -5.962   2.474   8.104
  741    HA   ASP  95           HA       ASP  95  -5.696   1.119  10.614
  742   1HB   ASP  95          2HB       ASP  95  -6.811  -0.876   9.778
  743   2HB   ASP  95          1HB       ASP  95  -7.949   0.379  10.233
  744    H    LYS  96           H        LYS  96  -4.622  -0.909  10.452
  745    HA   LYS  96           HA       LYS  96  -3.005  -1.174   8.015
  746   1HB   LYS  96          2HB       LYS  96  -0.962  -1.453   9.347
  747   2HB   LYS  96          1HB       LYS  96  -1.665   0.145   9.566
  748   1HG   LYS  96          2HG       LYS  96  -2.611  -0.534  11.690
  749   2HG   LYS  96          1HG       LYS  96  -1.997  -2.164  11.461
  750   1HD   LYS  96          2HD       LYS  96   0.301  -1.287  11.478
  751   2HD   LYS  96          1HD       LYS  96  -0.333   0.340  11.745
  752   1HE   LYS  96          2HE       LYS  96   0.404  -0.683  13.846
  753   2HE   LYS  96          1HE       LYS  96  -1.329  -0.381  13.860
  754   1HZ   LYS  96          1HZ       LYS  96  -0.836  -2.553  14.753
  755   2HZ   LYS  96          2HZ       LYS  96  -0.014  -3.003  13.363
  756   3HZ   LYS  96          3HZ       LYS  96  -1.675  -2.743  13.313
  757    H    VAL  97           H        VAL  97  -2.259  -3.211   7.579
  758    HA   VAL  97           HA       VAL  97  -3.172  -5.378   9.332
  759    HB   VAL  97           HB       VAL  97  -2.866  -5.443   6.302
  760   1HG1  VAL  97          1HG1      VAL  97  -3.842  -7.691   6.411
  761   2HG1  VAL  97          2HG1      VAL  97  -3.839  -7.600   8.172
  762   3HG1  VAL  97          3HG1      VAL  97  -2.312  -7.596   7.288
  763   1HG2  VAL  97          1HG2      VAL  97  -4.845  -4.193   6.995
  764   2HG2  VAL  97          2HG2      VAL  97  -5.360  -5.554   7.995
  765   3HG2  VAL  97          3HG2      VAL  97  -5.298  -5.723   6.241
  766    H    VAL  98           H        VAL  98  -1.481  -6.459  10.196
  767    HA   VAL  98           HA       VAL  98   1.103  -6.149   8.882
  768    HB   VAL  98           HB       VAL  98   1.023  -5.284  11.163
  769   1HG1  VAL  98          1HG1      VAL  98  -0.681  -6.672  12.145
  770   2HG1  VAL  98          2HG1      VAL  98   0.791  -6.743  13.118
  771   3HG1  VAL  98          3HG1      VAL  98   0.375  -8.081  12.051
  772   1HG2  VAL  98          1HG2      VAL  98   3.150  -6.137  10.372
  773   2HG2  VAL  98          2HG2      VAL  98   2.738  -7.753  10.937
  774   3HG2  VAL  98          3HG2      VAL  98   2.986  -6.450  12.099
  775    H    GLY  99           H        GLY  99   1.894  -7.765   7.767
  776   1HA   GLY  99          2HA       GLY  99   2.707  -9.951   7.568
  777   2HA   GLY  99          1HA       GLY  99   1.476 -10.498   8.707
  778    H    ALA 100           H        ALA 100   2.064 -11.523   6.000
  779    HA   ALA 100           HA       ALA 100  -0.090 -10.566   4.340
  780   1HB   ALA 100          1HB       ALA 100   1.962 -11.467   3.333
  781   2HB   ALA 100          2HB       ALA 100   0.546 -12.394   2.841
  782   3HB   ALA 100          3HB       ALA 100   1.635 -13.035   4.070
  783    H    LYS 101           H        LYS 101  -2.010 -10.898   5.080
  784    HA   LYS 101           HA       LYS 101  -2.756 -13.620   5.698
  785   1HB   LYS 101          2HB       LYS 101  -3.618 -11.046   6.963
  786   2HB   LYS 101          1HB       LYS 101  -4.544 -12.538   7.126
  787   1HG   LYS 101          2HG       LYS 101  -2.614 -13.641   8.168
  788   2HG   LYS 101          1HG       LYS 101  -1.665 -12.188   7.919
  789   1HD   LYS 101          2HD       LYS 101  -4.133 -12.259   9.493
  790   2HD   LYS 101          1HD       LYS 101  -2.536 -12.571  10.199
  791   1HE   LYS 101          2HE       LYS 101  -1.819 -10.322   9.412
  792   2HE   LYS 101          1HE       LYS 101  -3.444 -10.044   8.791
  793   1HZ   LYS 101          1HZ       LYS 101  -4.321 -10.142  10.986
  794   2HZ   LYS 101          2HZ       LYS 101  -3.067  -9.027  10.975
  795   3HZ   LYS 101          3HZ       LYS 101  -2.829 -10.542  11.662
  796    H    LYS 102           H        LYS 102  -3.977 -14.353   4.045
  797    HA   LYS 102           HA       LYS 102  -4.714 -12.627   2.045
  798   1HB   LYS 102          2HB       LYS 102  -5.206 -15.532   2.554
  799   2HB   LYS 102          1HB       LYS 102  -5.718 -14.695   1.112
  800   1HG   LYS 102          2HG       LYS 102  -3.684 -15.793   0.542
  801   2HG   LYS 102          1HG       LYS 102  -3.288 -14.096   0.705
  802   1HD   LYS 102          2HD       LYS 102  -1.531 -15.379   1.736
  803   2HD   LYS 102          1HD       LYS 102  -2.443 -14.602   3.026
  804   1HE   LYS 102          2HE       LYS 102  -3.685 -16.732   3.379
  805   2HE   LYS 102          1HE       LYS 102  -2.722 -17.471   2.112
  806   1HZ   LYS 102          1HZ       LYS 102  -1.632 -16.411   4.687
  807   2HZ   LYS 102          2HZ       LYS 102  -0.724 -17.086   3.475
  808   3HZ   LYS 102          3HZ       LYS 102  -1.835 -18.024   4.291
  809    H    ASP 103           H        ASP 103  -6.566 -14.495   4.420
  810    HA   ASP 103           HA       ASP 103  -9.062 -13.602   3.386
  811   1HB   ASP 103          2HB       ASP 103 -10.101 -14.715   5.309
  812   2HB   ASP 103          1HB       ASP 103  -8.899 -15.753   4.563
  813    H    GLU 104           H        GLU 104  -7.055 -12.519   6.089
  814    HA   GLU 104           HA       GLU 104  -9.002 -10.714   7.133
  815   1HB   GLU 104          2HB       GLU 104  -7.041 -11.540   8.450
  816   2HB   GLU 104          1HB       GLU 104  -5.998 -10.558   7.437
  817   1HG   GLU 104          2HG       GLU 104  -7.193  -8.540   8.197
  818   2HG   GLU 104          1HG       GLU 104  -8.168  -9.543   9.265
  819    H    LEU 105           H        LEU 105  -6.447 -10.412   4.749
  820    HA   LEU 105           HA       LEU 105  -6.488  -7.639   4.438
  821   1HB   LEU 105          2HB       LEU 105  -4.880  -9.258   3.416
  822   2HB   LEU 105          1HB       LEU 105  -6.137  -9.725   2.321
  823    HG   LEU 105           HG       LEU 105  -6.266  -7.510   1.374
  824   1HD1  LEU 105          1HD1      LEU 105  -4.525  -5.827   1.885
  825   2HD1  LEU 105          2HD1      LEU 105  -3.941  -6.858   3.191
  826   3HD1  LEU 105          3HD1      LEU 105  -5.561  -6.166   3.269
  827   1HD2  LEU 105          1HD2      LEU 105  -3.470  -8.637   1.386
  828   2HD2  LEU 105          2HD2      LEU 105  -4.118  -7.528   0.178
  829   3HD2  LEU 105          3HD2      LEU 105  -4.798  -9.148   0.342
  830    H    GLN 106           H        GLN 106  -8.163 -10.176   2.787
  831    HA   GLN 106           HA       GLN 106  -9.837  -8.696   1.093
  832   1HB   GLN 106          2HB       GLN 106 -10.422 -11.316   2.448
  833   2HB   GLN 106          1HB       GLN 106 -11.358 -10.649   1.119
  834   1HG   GLN 106          2HG       GLN 106  -9.463 -10.800  -0.335
  835   2HG   GLN 106          1HG       GLN 106  -8.444 -11.347   0.995
  836   1HE2  GLN 106          1HE2      GLN 106  -7.959 -13.236  -0.014
  837   2HE2  GLN 106          2HE2      GLN 106  -9.073 -14.538  -0.195
  838    H    SER 107           H        SER 107 -10.380  -9.644   4.446
  839    HA   SER 107           HA       SER 107 -13.022  -8.602   4.548
  840   1HB   SER 107          2HB       SER 107 -11.058  -9.032   6.816
  841   2HB   SER 107          1HB       SER 107 -12.807  -8.857   6.976
  842    HG   SER 107           HG       SER 107 -12.298 -10.744   5.185
  843    H    THR 108           H        THR 108  -9.852  -7.293   5.229
  844    HA   THR 108           HA       THR 108 -10.725  -4.811   6.231
  845    HB   THR 108           HB       THR 108  -8.111  -5.584   4.915
  846    HG1  THR 108           1HG      THR 108  -8.440  -6.818   6.734
  847   1HG2  THR 108          1HG2      THR 108  -8.734  -3.234   6.738
  848   2HG2  THR 108          2HG2      THR 108  -8.405  -3.128   5.014
  849   3HG2  THR 108          3HG2      THR 108  -7.145  -3.667   6.118
  850    H    ILE 109           H        ILE 109 -10.073  -6.035   2.970
  851    HA   ILE 109           HA       ILE 109 -10.264  -3.584   1.596
  852    HB   ILE 109           HB       ILE 109 -11.035  -6.355   0.622
  853   1HG1  ILE 109          2HG1      ILE 109  -8.440  -4.834   0.292
  854   2HG1  ILE 109          1HG1      ILE 109  -8.693  -6.185   1.391
  855   1HG2  ILE 109          1HG2      ILE 109 -11.996  -4.602  -0.774
  856   2HG2  ILE 109          2HG2      ILE 109 -10.688  -5.420  -1.640
  857   3HG2  ILE 109          3HG2      ILE 109 -10.415  -3.833  -0.920
  858   1HD1  ILE 109          1HD1      ILE 109  -7.551  -6.888  -0.620
  859   2HD1  ILE 109          2HD1      ILE 109  -8.882  -6.273  -1.603
  860   3HD1  ILE 109          3HD1      ILE 109  -9.143  -7.639  -0.525
  861    H    ALA 110           H        ALA 110 -12.695  -6.097   2.280
  862    HA   ALA 110           HA       ALA 110 -14.863  -4.700   1.132
  863   1HB   ALA 110          1HB       ALA 110 -16.279  -6.322   2.292
  864   2HB   ALA 110          2HB       ALA 110 -14.907  -6.809   3.290
  865   3HB   ALA 110          3HB       ALA 110 -14.892  -7.129   1.556
  866    H    LYS 111           H        LYS 111 -13.447  -4.643   4.284
  867    HA   LYS 111           HA       LYS 111 -15.328  -3.188   5.753
  868   1HB   LYS 111          2HB       LYS 111 -13.106  -4.276   6.452
  869   2HB   LYS 111          1HB       LYS 111 -12.432  -2.815   5.783
  870   1HG   LYS 111          2HG       LYS 111 -13.553  -1.427   7.408
  871   2HG   LYS 111          1HG       LYS 111 -14.353  -2.842   8.092
  872   1HD   LYS 111          2HD       LYS 111 -12.444  -2.268   9.496
  873   2HD   LYS 111          1HD       LYS 111 -12.130  -3.783   8.648
  874   1HE   LYS 111          2HE       LYS 111 -10.768  -2.641   7.014
  875   2HE   LYS 111          1HE       LYS 111 -11.122  -1.091   7.769
  876   1HZ   LYS 111          1HZ       LYS 111  -9.666  -3.331   9.087
  877   2HZ   LYS 111          2HZ       LYS 111  -9.983  -1.810   9.745
  878   3HZ   LYS 111          3HZ       LYS 111  -8.964  -1.951   8.407
  879    H    HIS 112           H        HIS 112 -12.661  -2.142   3.676
  880    HA   HIS 112           HA       HIS 112 -13.225   0.632   3.935
  881   1HB   HIS 112          2HB       HIS 112 -11.407  -0.966   2.189
  882   2HB   HIS 112          1HB       HIS 112 -11.698   0.724   1.838
  883    HD1  HIS 112           1HD      HIS 112 -10.471   2.413   3.256
  884    HD2  HIS 112           2HD      HIS 112 -10.025  -1.451   4.678
  885    HE1  HIS 112           1HE      HIS 112  -8.620   2.524   4.946
  886    HE2  HIS 112           2HE      HIS 112  -8.712   0.337   6.058
  887    H    LEU 113           H        LEU 113 -14.166  -1.861   1.501
  888    HA   LEU 113           HA       LEU 113 -15.302   0.107  -0.132
  889   1HB   LEU 113          2HB       LEU 113 -14.810  -2.755  -0.133
  890   2HB   LEU 113          1HB       LEU 113 -16.104  -2.200  -1.153
  891    HG   LEU 113           HG       LEU 113 -14.074  -2.446  -2.471
  892   1HD1  LEU 113          1HD1      LEU 113 -14.599   0.478  -1.991
  893   2HD1  LEU 113          2HD1      LEU 113 -15.459  -0.584  -3.103
  894   3HD1  LEU 113          3HD1      LEU 113 -13.765  -0.214  -3.381
  895   1HD2  LEU 113          1HD2      LEU 113 -12.014  -1.185  -1.992
  896   2HD2  LEU 113          2HD2      LEU 113 -12.415  -2.300  -0.684
  897   3HD2  LEU 113          3HD2      LEU 113 -12.745  -0.578  -0.505
  898    H    ALA 114           H        ALA 114 -16.244  -0.479   2.598
  899    HA   ALA 114           HA       ALA 114 -19.050  -1.095   2.059
  900   1HB   ALA 114          1HB       ALA 114 -18.061  -2.214   4.014
  901   2HB   ALA 114          2HB       ALA 114 -19.312  -1.077   4.522
  902   3HB   ALA 114          3HB       ALA 114 -17.612  -0.647   4.687
  Start of MODEL    3
    1    H    MET   1           H        MET   1 -13.970   6.420 -23.190
    2    HA   MET   1           HA       MET   1 -11.676   5.001 -23.972
    3   1HB   MET   1          2HB       MET   1 -11.937   7.886 -23.067
    4   2HB   MET   1          1HB       MET   1 -10.474   7.214 -23.754
    5   1HG   MET   1          2HG       MET   1 -11.598   8.456 -25.447
    6   2HG   MET   1          1HG       MET   1 -11.741   6.750 -25.844
    7   1HE   MET   1          1HE       MET   1 -15.086   8.167 -27.239
    8   2HE   MET   1          2HE       MET   1 -13.659   7.184 -27.573
    9   3HE   MET   1          3HE       MET   1 -13.488   8.913 -27.282
   10    H    ALA   2           H        ALA   2 -10.074   4.153 -22.835
   11    HA   ALA   2           HA       ALA   2 -10.413   3.821 -20.055
   12   1HB   ALA   2          1HB       ALA   2  -9.455   2.093 -21.463
   13   2HB   ALA   2          2HB       ALA   2  -8.352   2.543 -20.150
   14   3HB   ALA   2          3HB       ALA   2  -8.061   3.126 -21.786
   15    H    SER   3           H        SER   3  -9.056   4.408 -18.364
   16    HA   SER   3           HA       SER   3  -7.477   6.817 -18.835
   17   1HB   SER   3          2HB       SER   3  -9.551   7.119 -17.430
   18   2HB   SER   3          1HB       SER   3  -8.925   5.914 -16.310
   19    HG   SER   3           HG       SER   3  -8.298   8.550 -16.592
   20    H    GLU   4           H        GLU   4  -6.118   6.765 -16.442
   21    HA   GLU   4           HA       GLU   4  -4.406   4.474 -16.930
   22   1HB   GLU   4          2HB       GLU   4  -3.364   6.681 -17.015
   23   2HB   GLU   4          1HB       GLU   4  -3.881   7.009 -15.373
   24   1HG   GLU   4          2HG       GLU   4  -2.413   5.321 -14.519
   25   2HG   GLU   4          1HG       GLU   4  -2.000   4.812 -16.159
   26    H    GLU   5           H        GLU   5  -5.218   2.806 -15.929
   27    HA   GLU   5           HA       GLU   5  -5.774   2.943 -13.043
   28   1HB   GLU   5          2HB       GLU   5  -7.297   1.042 -13.426
   29   2HB   GLU   5          1HB       GLU   5  -7.766   2.433 -14.391
   30   1HG   GLU   5          2HG       GLU   5  -6.643   1.414 -16.350
   31   2HG   GLU   5          1HG       GLU   5  -6.279  -0.003 -15.373
   32    H    GLY   6           H        GLY   6  -5.025   1.089 -11.798
   33   1HA   GLY   6          2HA       GLY   6  -3.874  -0.924 -11.509
   34   2HA   GLY   6          1HA       GLY   6  -3.404  -0.876 -13.200
   35    H    GLN   7           H        GLN   7  -2.952   2.015 -11.447
   36    HA   GLN   7           HA       GLN   7  -0.123   1.513 -11.724
   37   1HB   GLN   7          2HB       GLN   7   0.135   3.937 -11.291
   38   2HB   GLN   7          1HB       GLN   7  -0.577   3.399 -12.802
   39   1HG   GLN   7          2HG       GLN   7  -2.810   3.979 -11.948
   40   2HG   GLN   7          1HG       GLN   7  -2.105   4.416 -10.390
   41   1HE2  GLN   7          1HE2      GLN   7  -3.699   5.981 -12.278
   42   2HE2  GLN   7          2HE2      GLN   7  -2.723   7.354 -12.677
   43    H    VAL   8           H        VAL   8   1.108   1.267 -10.363
   44    HA   VAL   8           HA       VAL   8   0.582   1.890  -7.522
   45    HB   VAL   8           HB       VAL   8   2.286  -0.369  -8.619
   46   1HG1  VAL   8          1HG1      VAL   8   1.484   0.297  -5.797
   47   2HG1  VAL   8          2HG1      VAL   8   3.091   0.462  -6.501
   48   3HG1  VAL   8          3HG1      VAL   8   2.370  -1.143  -6.301
   49   1HG2  VAL   8          1HG2      VAL   8  -0.070  -0.842  -8.996
   50   2HG2  VAL   8          2HG2      VAL   8  -0.423  -0.515  -7.300
   51   3HG2  VAL   8          3HG2      VAL   8   0.577  -1.898  -7.742
   52    H    ILE   9           H        ILE   9   2.149   3.348  -6.642
   53    HA   ILE   9           HA       ILE   9   4.352   3.745  -8.452
   54    HB   ILE   9           HB       ILE   9   3.479   5.511  -6.138
   55   1HG1  ILE   9          2HG1      ILE   9   3.166   7.194  -8.006
   56   2HG1  ILE   9          1HG1      ILE   9   3.423   5.892  -9.142
   57   1HG2  ILE   9          1HG2      ILE   9   5.232   7.077  -6.873
   58   2HG2  ILE   9          2HG2      ILE   9   5.801   5.881  -8.034
   59   3HG2  ILE   9          3HG2      ILE   9   5.905   5.551  -6.303
   60   1HD1  ILE   9          1HD1      ILE   9   1.046   6.382  -8.880
   61   2HD1  ILE   9          2HD1      ILE   9   1.166   6.073  -7.150
   62   3HD1  ILE   9          3HD1      ILE   9   1.417   4.758  -8.297
   63    H    ALA  10           H        ALA  10   6.151   2.692  -8.134
   64    HA   ALA  10           HA       ALA  10   6.714   1.610  -5.500
   65   1HB   ALA  10          1HB       ALA  10   6.873   0.096  -7.429
   66   2HB   ALA  10          2HB       ALA  10   8.444   0.300  -6.658
   67   3HB   ALA  10          3HB       ALA  10   8.082   1.152  -8.157
   68    H    CYS  11           H        CYS  11   7.756   2.975  -4.189
   69    HA   CYS  11           HA       CYS  11   9.488   4.963  -5.323
   70   1HB   CYS  11          2HB       CYS  11   8.661   4.466  -2.471
   71   2HB   CYS  11          1HB       CYS  11   9.486   5.860  -3.118
   72    HG   CYS  11           HG       CYS  11   6.408   5.053  -4.321
   73    H    HIS  12           H        HIS  12  11.648   4.827  -5.172
   74    HA   HIS  12           HA       HIS  12  12.718   2.630  -3.548
   75   1HB   HIS  12          2HB       HIS  12  13.938   3.872  -6.034
   76   2HB   HIS  12          1HB       HIS  12  14.655   2.579  -5.084
   77    HD1  HIS  12           1HD      HIS  12  13.532   0.157  -5.323
   78    HD2  HIS  12           2HD      HIS  12  11.931   3.105  -7.803
   79    HE1  HIS  12           1HE      HIS  12  12.175  -1.045  -7.020
   80    HE2  HIS  12           2HE      HIS  12  11.554   0.739  -8.678
   81    H    THR  13           H        THR  13  12.137   5.734  -3.394
   82    HA   THR  13           HA       THR  13  14.423   6.318  -1.715
   83    HB   THR  13           HB       THR  13  14.502   8.648  -2.707
   84    HG1  THR  13           1HG      THR  13  13.660   8.887  -4.825
   85   1HG2  THR  13          1HG2      THR  13  16.261   7.024  -3.267
   86   2HG2  THR  13          2HG2      THR  13  15.899   8.048  -4.658
   87   3HG2  THR  13          3HG2      THR  13  15.272   6.401  -4.590
   88    H    VAL  14           H        VAL  14  13.886   7.969  -0.136
   89    HA   VAL  14           HA       VAL  14  11.159   7.919   0.610
   90    HB   VAL  14           HB       VAL  14  13.033   8.042   2.272
   91   1HG1  VAL  14          1HG1      VAL  14  14.486   9.645   1.224
   92   2HG1  VAL  14          2HG1      VAL  14  14.048  10.200   2.838
   93   3HG1  VAL  14          3HG1      VAL  14  13.277  10.911   1.422
   94   1HG2  VAL  14          1HG2      VAL  14  11.932   9.588   3.853
   95   2HG2  VAL  14          2HG2      VAL  14  10.783   8.546   3.015
   96   3HG2  VAL  14          3HG2      VAL  14  10.971  10.229   2.521
   97    H    GLU  15           H        GLU  15  13.077  10.082  -1.242
   98    HA   GLU  15           HA       GLU  15  11.636  12.474  -1.139
   99   1HB   GLU  15          2HB       GLU  15  13.840  12.166  -2.189
  100   2HB   GLU  15          1HB       GLU  15  13.114  11.180  -3.430
  101   1HG   GLU  15          2HG       GLU  15  12.533  14.119  -3.041
  102   2HG   GLU  15          1HG       GLU  15  13.757  13.492  -4.137
  103    H    THR  16           H        THR  16  11.309   9.768  -3.397
  104    HA   THR  16           HA       THR  16   9.047  10.858  -4.698
  105    HB   THR  16           HB       THR  16  10.045   8.001  -4.656
  106    HG1  THR  16           1HG      THR  16  10.986  10.337  -5.711
  107   1HG2  THR  16          1HG2      THR  16   7.751   8.224  -5.566
  108   2HG2  THR  16          2HG2      THR  16   8.903   7.828  -6.844
  109   3HG2  THR  16          3HG2      THR  16   8.316   9.482  -6.663
  110    H    TRP  17           H        TRP  17   9.482   8.598  -2.068
  111    HA   TRP  17           HA       TRP  17   6.864   7.786  -1.612
  112   1HB   TRP  17          2HB       TRP  17   8.698   6.756  -0.452
  113   2HB   TRP  17          1HB       TRP  17   9.216   8.302   0.194
  114    HD1  TRP  17           HD       TRP  17   8.559   8.762   2.581
  115    HE1  TRP  17           1HE      TRP  17   6.925   7.792   4.255
  116    HE3  TRP  17           3HE      TRP  17   6.114   5.512  -0.506
  117    HZ2  TRP  17           2HZ      TRP  17   4.842   5.883   4.298
  118    HZ3  TRP  17           3HZ      TRP  17   4.298   4.158   0.444
  119    HH2  TRP  17           HH       TRP  17   3.681   4.347   2.808
  120    H    ASN  18           H        ASN  18   8.608  10.610  -0.415
  121    HA   ASN  18           HA       ASN  18   6.588  11.855   1.072
  122   1HB   ASN  18          2HB       ASN  18   8.996  12.433   1.148
  123   2HB   ASN  18          1HB       ASN  18   8.889  13.063  -0.480
  124   1HD2  ASN  18          1HD2      ASN  18   9.744  14.318   1.960
  125   2HD2  ASN  18          2HD2      ASN  18   8.784  15.723   2.205
  126    H    GLU  19           H        GLU  19   7.527  12.147  -2.319
  127    HA   GLU  19           HA       GLU  19   5.922  14.296  -3.138
  128   1HB   GLU  19          2HB       GLU  19   7.847  13.049  -4.346
  129   2HB   GLU  19          1HB       GLU  19   6.630  11.904  -4.853
  130   1HG   GLU  19          2HG       GLU  19   6.668  14.845  -5.558
  131   2HG   GLU  19          1HG       GLU  19   7.259  13.555  -6.584
  132    H    GLN  20           H        GLN  20   5.259  10.746  -3.223
  133    HA   GLN  20           HA       GLN  20   2.766  10.957  -4.376
  134   1HB   GLN  20          2HB       GLN  20   4.136   8.901  -2.801
  135   2HB   GLN  20          1HB       GLN  20   2.615   8.625  -3.636
  136   1HG   GLN  20          2HG       GLN  20   5.248   9.389  -4.892
  137   2HG   GLN  20          1HG       GLN  20   4.527   7.788  -4.943
  138   1HE2  GLN  20          1HE2      GLN  20   5.305   9.558  -7.098
  139   2HE2  GLN  20          2HE2      GLN  20   3.891   9.796  -8.049
  140    H    LEU  21           H        LEU  21   3.772  10.610  -0.876
  141    HA   LEU  21           HA       LEU  21   1.193  10.335   0.058
  142   1HB   LEU  21          2HB       LEU  21   3.721  11.311   1.167
  143   2HB   LEU  21          1HB       LEU  21   2.291  11.127   2.133
  144    HG   LEU  21           HG       LEU  21   3.933   8.966   0.808
  145   1HD1  LEU  21          1HD1      LEU  21   3.354   9.588   3.696
  146   2HD1  LEU  21          2HD1      LEU  21   4.873   9.882   2.847
  147   3HD1  LEU  21          3HD1      LEU  21   4.316   8.232   3.105
  148   1HD2  LEU  21          1HD2      LEU  21   2.393   7.349   1.838
  149   2HD2  LEU  21          2HD2      LEU  21   1.563   8.354   0.657
  150   3HD2  LEU  21          3HD2      LEU  21   1.361   8.671   2.382
  151    H    GLN  22           H        GLN  22   3.298  13.113  -0.340
  152    HA   GLN  22           HA       GLN  22   1.663  15.036   0.797
  153   1HB   GLN  22          2HB       GLN  22   3.985  15.418   0.115
  154   2HB   GLN  22          1HB       GLN  22   3.516  15.267  -1.573
  155   1HG   GLN  22          2HG       GLN  22   2.107  17.253  -1.332
  156   2HG   GLN  22          1HG       GLN  22   2.655  17.417   0.339
  157   1HE2  GLN  22          1HE2      GLN  22   4.786  18.005   0.735
  158   2HE2  GLN  22          2HE2      GLN  22   5.765  18.706  -0.504
  159    H    LYS  23           H        LYS  23   1.887  13.815  -2.490
  160    HA   LYS  23           HA       LYS  23  -0.032  15.325  -3.777
  161   1HB   LYS  23          2HB       LYS  23   1.558  13.837  -4.882
  162   2HB   LYS  23          1HB       LYS  23   0.767  12.445  -4.172
  163   1HG   LYS  23          2HG       LYS  23  -1.245  12.949  -5.473
  164   2HG   LYS  23          1HG       LYS  23  -0.410  14.322  -6.208
  165   1HD   LYS  23          2HD       LYS  23   1.313  12.797  -7.081
  166   2HD   LYS  23          1HD       LYS  23   0.454  11.437  -6.369
  167   1HE   LYS  23          2HE       LYS  23  -1.486  11.930  -7.767
  168   2HE   LYS  23          1HE       LYS  23  -0.628  13.301  -8.467
  169   1HZ   LYS  23          1HZ       LYS  23   0.205  10.454  -8.695
  170   2HZ   LYS  23          2HZ       LYS  23   1.019  11.778  -9.353
  171   3HZ   LYS  23          3HZ       LYS  23  -0.512  11.381  -9.901
  172    H    ALA  24           H        ALA  24  -0.402  12.180  -2.057
  173    HA   ALA  24           HA       ALA  24  -3.184  12.001  -2.595
  174   1HB   ALA  24          1HB       ALA  24  -1.556  10.580  -0.490
  175   2HB   ALA  24          2HB       ALA  24  -1.786  10.034  -2.149
  176   3HB   ALA  24          3HB       ALA  24  -3.163  10.118  -1.048
  177    H    ASN  25           H        ASN  25  -1.306  13.185   0.107
  178    HA   ASN  25           HA       ASN  25  -3.325  13.530   2.052
  179   1HB   ASN  25          2HB       ASN  25  -0.807  13.685   2.345
  180   2HB   ASN  25          1HB       ASN  25  -0.890  15.219   1.570
  181   1HD2  ASN  25          1HD2      ASN  25  -1.570  17.049   2.652
  182   2HD2  ASN  25          2HD2      ASN  25  -1.935  17.058   4.327
  183    H    GLU  26           H        GLU  26  -1.811  15.759  -0.100
  184    HA   GLU  26           HA       GLU  26  -3.397  18.027   0.447
  185   1HB   GLU  26          2HB       GLU  26  -1.179  18.146  -0.573
  186   2HB   GLU  26          1HB       GLU  26  -1.801  17.383  -2.022
  187   1HG   GLU  26          2HG       GLU  26  -3.234  19.291  -2.426
  188   2HG   GLU  26          1HG       GLU  26  -2.644  20.065  -0.956
  189    H    SER  27           H        SER  27  -3.723  15.539  -2.071
  190    HA   SER  27           HA       SER  27  -5.946  16.937  -3.235
  191   1HB   SER  27          2HB       SER  27  -4.713  14.277  -3.864
  192   2HB   SER  27          1HB       SER  27  -5.933  15.095  -4.838
  193    HG   SER  27           HG       SER  27  -3.259  15.799  -4.348
  194    H    LYS  28           H        LYS  28  -5.672  15.166  -0.516
  195    HA   LYS  28           HA       LYS  28  -7.035  13.992   0.832
  196   1HB   LYS  28          2HB       LYS  28  -9.069  15.334  -0.848
  197   2HB   LYS  28          1HB       LYS  28  -9.450  14.570   0.700
  198   1HG   LYS  28          2HG       LYS  28  -7.888  16.120   1.809
  199   2HG   LYS  28          1HG       LYS  28  -7.594  16.913   0.263
  200   1HD   LYS  28          2HD       LYS  28  -9.967  17.532   0.158
  201   2HD   LYS  28          1HD       LYS  28 -10.227  16.760   1.728
  202   1HE   LYS  28          2HE       LYS  28  -8.586  18.282   2.728
  203   2HE   LYS  28          1HE       LYS  28  -8.365  19.055   1.162
  204   1HZ   LYS  28          1HZ       LYS  28 -10.897  19.014   2.727
  205   2HZ   LYS  28          2HZ       LYS  28 -10.691  19.729   1.221
  206   3HZ   LYS  28          3HZ       LYS  28  -9.849  20.325   2.550
  207    H    THR  29           H        THR  29  -6.033  12.653  -1.310
  208    HA   THR  29           HA       THR  29  -8.096  10.927  -2.401
  209    HB   THR  29           HB       THR  29  -5.165  10.872  -2.856
  210    HG1  THR  29           1HG      THR  29  -7.145  12.627  -3.635
  211   1HG2  THR  29          1HG2      THR  29  -6.387   8.940  -3.689
  212   2HG2  THR  29          2HG2      THR  29  -5.802   9.902  -5.049
  213   3HG2  THR  29          3HG2      THR  29  -7.496   9.993  -4.568
  214    H    LEU  30           H        LEU  30  -8.026   8.787  -2.017
  215    HA   LEU  30           HA       LEU  30  -6.935   8.061   0.510
  216   1HB   LEU  30          2HB       LEU  30  -9.260   7.446  -0.136
  217   2HB   LEU  30          1HB       LEU  30  -8.647   6.468  -1.440
  218    HG   LEU  30           HG       LEU  30  -8.227   5.819   1.500
  219   1HD1  LEU  30          1HD1      LEU  30  -9.992   4.175   1.192
  220   2HD1  LEU  30          2HD1      LEU  30 -10.269   4.775  -0.443
  221   3HD1  LEU  30          3HD1      LEU  30 -10.596   5.814   0.944
  222   1HD2  LEU  30          1HD2      LEU  30  -6.608   4.750  -0.031
  223   2HD2  LEU  30          2HD2      LEU  30  -7.949   4.107  -0.980
  224   3HD2  LEU  30          3HD2      LEU  30  -7.711   3.575   0.684
  225    H    VAL  31           H        VAL  31  -5.154   6.573   0.756
  226    HA   VAL  31           HA       VAL  31  -3.958   5.595  -1.693
  227    HB   VAL  31           HB       VAL  31  -2.783   7.619  -1.040
  228   1HG1  VAL  31          1HG1      VAL  31  -2.275   6.313   1.605
  229   2HG1  VAL  31          2HG1      VAL  31  -3.320   7.706   1.307
  230   3HG1  VAL  31          3HG1      VAL  31  -1.576   7.840   1.068
  231   1HG2  VAL  31          1HG2      VAL  31  -1.137   5.174  -0.405
  232   2HG2  VAL  31          2HG2      VAL  31  -0.488   6.760  -0.829
  233   3HG2  VAL  31          3HG2      VAL  31  -1.432   5.842  -2.005
  234    H    VAL  32           H        VAL  32  -3.098   3.570  -1.572
  235    HA   VAL  32           HA       VAL  32  -3.174   2.246   1.060
  236    HB   VAL  32           HB       VAL  32  -3.581   0.917  -1.588
  237   1HG1  VAL  32          1HG1      VAL  32  -4.011  -0.129   1.213
  238   2HG1  VAL  32          2HG1      VAL  32  -2.645  -0.520   0.195
  239   3HG1  VAL  32          3HG1      VAL  32  -4.267  -1.058  -0.266
  240   1HG2  VAL  32          1HG2      VAL  32  -5.505   2.333  -1.156
  241   2HG2  VAL  32          2HG2      VAL  32  -5.677   1.640   0.457
  242   3HG2  VAL  32          3HG2      VAL  32  -5.962   0.641  -0.969
  243    H    VAL  33           H        VAL  33  -1.286   1.412   1.704
  244    HA   VAL  33           HA       VAL  33   0.866   1.358  -0.306
  245    HB   VAL  33           HB       VAL  33   1.180   1.899   2.646
  246   1HG1  VAL  33          1HG1      VAL  33   3.119   0.867   1.629
  247   2HG1  VAL  33          2HG1      VAL  33   3.466   2.538   2.055
  248   3HG1  VAL  33          3HG1      VAL  33   3.144   2.103   0.372
  249   1HG2  VAL  33          1HG2      VAL  33   1.642   4.233   2.017
  250   2HG2  VAL  33          2HG2      VAL  33   0.002   3.755   1.591
  251   3HG2  VAL  33          3HG2      VAL  33   1.240   3.857   0.343
  252    H    ASP  34           H        ASP  34   1.947  -0.461  -0.540
  253    HA   ASP  34           HA       ASP  34   1.577  -2.620   1.411
  254   1HB   ASP  34          2HB       ASP  34   0.816  -3.339  -0.735
  255   2HB   ASP  34          1HB       ASP  34   2.223  -2.661  -1.541
  256    H    PHE  35           H        PHE  35   3.211  -2.713   2.828
  257    HA   PHE  35           HA       PHE  35   5.909  -2.077   1.950
  258   1HB   PHE  35          2HB       PHE  35   4.726  -2.733   4.658
  259   2HB   PHE  35          1HB       PHE  35   6.394  -2.304   4.353
  260    HD1  PHE  35           1HD      PHE  35   6.983   0.029   3.829
  261    HD2  PHE  35           2HD      PHE  35   2.988  -1.091   4.770
  262    HE1  PHE  35           1HE      PHE  35   6.427   2.387   4.249
  263    HE2  PHE  35           2HE      PHE  35   2.421   1.265   5.187
  264    HZ   PHE  35           HZ       PHE  35   4.142   3.010   4.928
  265    H    THR  36           H        THR  36   7.031  -3.821   1.235
  266    HA   THR  36           HA       THR  36   6.600  -6.443   2.460
  267    HB   THR  36           HB       THR  36   4.870  -6.172   0.628
  268    HG1  THR  36           1HG      THR  36   5.113  -8.133   0.031
  269   1HG2  THR  36          1HG2      THR  36   7.310  -6.054  -1.152
  270   2HG2  THR  36          2HG2      THR  36   6.165  -4.743  -0.871
  271   3HG2  THR  36          3HG2      THR  36   5.642  -6.206  -1.707
  272    H    ALA  37           H        ALA  37   8.045  -8.024   1.106
  273    HA   ALA  37           HA       ALA  37  10.528  -6.693   0.280
  274   1HB   ALA  37          1HB       ALA  37  10.868  -7.493   2.555
  275   2HB   ALA  37          2HB       ALA  37  11.826  -8.441   1.421
  276   3HB   ALA  37          3HB       ALA  37  10.333  -9.104   2.086
  277    H    SER  38           H        SER  38  11.213  -7.417  -1.610
  278    HA   SER  38           HA       SER  38   9.657  -9.252  -3.079
  279   1HB   SER  38          2HB       SER  38  12.397  -8.153  -3.750
  280   2HB   SER  38          1HB       SER  38  11.209  -8.802  -4.882
  281    HG   SER  38           HG       SER  38  11.009  -6.469  -3.282
  282    H    TRP  39           H        TRP  39  12.442  -9.697  -1.072
  283    HA   TRP  39           HA       TRP  39  13.071 -12.294  -2.147
  284   1HB   TRP  39          2HB       TRP  39  14.711 -12.460  -0.244
  285   2HB   TRP  39          1HB       TRP  39  14.921 -11.044  -1.248
  286    HD1  TRP  39           HD       TRP  39  14.911  -8.819  -0.111
  287    HE1  TRP  39           1HE      TRP  39  14.628  -7.957   2.295
  288    HE3  TRP  39           3HE      TRP  39  13.258 -13.118   2.063
  289    HZ2  TRP  39           2HZ      TRP  39  13.783  -8.985   4.792
  290    HZ3  TRP  39           3HZ      TRP  39  12.726 -13.102   4.465
  291    HH2  TRP  39           HH       TRP  39  12.984 -11.069   5.797
  292    H    CYS  40           H        CYS  40  10.676 -11.198  -0.182
  293    HA   CYS  40           HA       CYS  40  10.634 -13.491   1.599
  294   1HB   CYS  40          2HB       CYS  40  10.202 -11.392   2.617
  295   2HB   CYS  40          1HB       CYS  40   9.002 -10.963   1.416
  296    H    GLY  41           H        GLY  41   9.526 -15.255   1.169
  297   1HA   GLY  41          2HA       GLY  41   8.160 -15.704  -1.237
  298   2HA   GLY  41          1HA       GLY  41   8.157 -16.767   0.158
  299    HA   PRO  42           HA       PRO  42   3.946 -15.871   1.254
  300   1HB   PRO  42          2HB       PRO  42   4.748 -14.310   3.661
  301   2HB   PRO  42          1HB       PRO  42   3.659 -15.695   3.542
  302   1HG   PRO  42          2HG       PRO  42   6.087 -16.005   4.552
  303   2HG   PRO  42          1HG       PRO  42   5.402 -17.230   3.471
  304   1HD   PRO  42          2HD       PRO  42   7.447 -15.126   2.884
  305   2HD   PRO  42          1HD       PRO  42   7.366 -16.808   2.323
  306    H    CYS  43           H        CYS  43   6.112 -13.174   1.704
  307    HA   CYS  43           HA       CYS  43   4.211 -11.100   1.538
  308   1HB   CYS  43          2HB       CYS  43   7.124 -11.027   0.781
  309   2HB   CYS  43          1HB       CYS  43   6.127  -9.648   1.224
  310    H    ARG  44           H        ARG  44   6.252 -12.720  -0.871
  311    HA   ARG  44           HA       ARG  44   5.420 -11.098  -3.028
  312   1HB   ARG  44          2HB       ARG  44   7.603 -12.202  -3.018
  313   2HB   ARG  44          1HB       ARG  44   6.852 -13.767  -2.871
  314   1HG   ARG  44          2HG       ARG  44   6.507 -12.030  -5.317
  315   2HG   ARG  44          1HG       ARG  44   7.853 -13.149  -5.115
  316   1HD   ARG  44          2HD       ARG  44   4.922 -13.867  -5.109
  317   2HD   ARG  44          1HD       ARG  44   6.056 -14.169  -6.428
  318    HE   ARG  44           HE       ARG  44   7.205 -15.371  -4.290
  319   1HH1  ARG  44          1HH1      ARG  44   4.023 -15.683  -5.796
  320   2HH1  ARG  44          2HH1      ARG  44   3.851 -17.332  -5.358
  321   1HH2  ARG  44          1HH2      ARG  44   6.927 -17.582  -3.680
  322   2HH2  ARG  44          2HH2      ARG  44   5.502 -18.415  -4.113
  323    H    PHE  45           H        PHE  45   4.219 -13.977  -1.525
  324    HA   PHE  45           HA       PHE  45   2.445 -14.639  -3.682
  325   1HB   PHE  45          2HB       PHE  45   3.340 -16.397  -2.225
  326   2HB   PHE  45          1HB       PHE  45   2.544 -15.671  -0.835
  327    HD1  PHE  45           1HD      PHE  45   0.278 -16.140  -0.348
  328    HD2  PHE  45           2HD      PHE  45   1.966 -17.381  -4.054
  329    HE1  PHE  45           1HE      PHE  45  -1.723 -17.484  -0.801
  330    HE2  PHE  45           2HE      PHE  45  -0.039 -18.729  -4.516
  331    HZ   PHE  45           HZ       PHE  45  -1.887 -18.779  -2.890
  332    H    ILE  46           H        ILE  46   2.225 -12.700  -0.787
  333    HA   ILE  46           HA       ILE  46  -0.672 -12.656  -0.900
  334    HB   ILE  46           HB       ILE  46   0.551 -12.683   1.287
  335   1HG1  ILE  46          2HG1      ILE  46  -0.766 -10.866   2.404
  336   2HG1  ILE  46          1HG1      ILE  46  -1.238 -10.319   0.796
  337   1HG2  ILE  46          1HG2      ILE  46   1.560 -10.642   2.164
  338   2HG2  ILE  46          2HG2      ILE  46   1.376  -9.891   0.573
  339   3HG2  ILE  46          3HG2      ILE  46   2.412 -11.302   0.770
  340   1HD1  ILE  46          1HD1      ILE  46  -2.945 -11.702   1.819
  341   2HD1  ILE  46          2HD1      ILE  46  -1.765 -13.015   1.957
  342   3HD1  ILE  46          3HD1      ILE  46  -2.285 -12.463   0.363
  343    H    ALA  47           H        ALA  47   1.978 -10.744  -1.981
  344    HA   ALA  47           HA       ALA  47   0.802  -8.222  -2.170
  345   1HB   ALA  47          1HB       ALA  47   3.212  -8.652  -2.184
  346   2HB   ALA  47          2HB       ALA  47   2.693  -7.578  -3.482
  347   3HB   ALA  47          3HB       ALA  47   3.072  -9.265  -3.831
  348    HA   PRO  48           HA       PRO  48   0.022  -9.490  -7.068
  349   1HB   PRO  48          2HB       PRO  48  -1.520 -11.869  -6.131
  350   2HB   PRO  48          1HB       PRO  48  -0.721 -11.599  -7.683
  351   1HG   PRO  48          2HG       PRO  48   0.439 -13.107  -5.854
  352   2HG   PRO  48          1HG       PRO  48   1.396 -11.954  -6.803
  353   1HD   PRO  48          2HD       PRO  48   0.534 -11.811  -3.962
  354   2HD   PRO  48          1HD       PRO  48   1.994 -11.172  -4.736
  355    H    PHE  49           H        PHE  49  -2.130 -10.150  -4.360
  356    HA   PHE  49           HA       PHE  49  -4.509  -9.414  -5.684
  357   1HB   PHE  49          2HB       PHE  49  -4.516 -10.756  -3.625
  358   2HB   PHE  49          1HB       PHE  49  -3.917  -9.374  -2.712
  359    HD1  PHE  49           1HD      PHE  49  -5.383  -7.736  -1.925
  360    HD2  PHE  49           2HD      PHE  49  -6.751 -10.654  -4.668
  361    HE1  PHE  49           1HE      PHE  49  -7.656  -6.993  -1.554
  362    HE2  PHE  49           2HE      PHE  49  -9.077  -9.918  -4.303
  363    HZ   PHE  49           HZ       PHE  49  -9.538  -8.084  -2.740
  364    H    PHE  50           H        PHE  50  -2.122  -7.536  -3.968
  365    HA   PHE  50           HA       PHE  50  -3.553  -5.075  -3.787
  366   1HB   PHE  50          2HB       PHE  50  -1.593  -5.571  -2.408
  367   2HB   PHE  50          1HB       PHE  50  -0.588  -5.720  -3.835
  368    HD1  PHE  50           1HD      PHE  50  -2.478  -3.352  -1.734
  369    HD2  PHE  50           2HD      PHE  50   0.420  -3.821  -4.810
  370    HE1  PHE  50           1HE      PHE  50  -1.855  -0.984  -1.514
  371    HE2  PHE  50           2HE      PHE  50   1.035  -1.452  -4.592
  372    HZ   PHE  50           HZ       PHE  50  -0.100  -0.038  -2.942
  373    H    ALA  51           H        ALA  51  -1.645  -6.586  -6.280
  374    HA   ALA  51           HA       ALA  51  -1.489  -4.279  -7.948
  375   1HB   ALA  51          1HB       ALA  51   0.089  -6.160  -8.177
  376   2HB   ALA  51          2HB       ALA  51  -0.745  -5.829  -9.696
  377   3HB   ALA  51          3HB       ALA  51  -1.240  -7.198  -8.698
  378    H    ASP  52           H        ASP  52  -3.779  -6.842  -7.495
  379    HA   ASP  52           HA       ASP  52  -5.412  -6.299  -9.809
  380   1HB   ASP  52          2HB       ASP  52  -5.389  -8.442  -8.412
  381   2HB   ASP  52          1HB       ASP  52  -6.242  -7.539  -7.206
  382    H    LEU  53           H        LEU  53  -5.525  -5.465  -6.422
  383    HA   LEU  53           HA       LEU  53  -7.765  -3.878  -6.298
  384   1HB   LEU  53          2HB       LEU  53  -5.102  -3.711  -4.962
  385   2HB   LEU  53          1HB       LEU  53  -6.414  -2.702  -4.484
  386    HG   LEU  53           HG       LEU  53  -6.243  -5.677  -4.277
  387   1HD1  LEU  53          1HD1      LEU  53  -6.307  -5.237  -1.869
  388   2HD1  LEU  53          2HD1      LEU  53  -6.401  -3.511  -2.185
  389   3HD1  LEU  53          3HD1      LEU  53  -4.943  -4.395  -2.607
  390   1HD2  LEU  53          1HD2      LEU  53  -8.409  -5.552  -3.122
  391   2HD2  LEU  53          2HD2      LEU  53  -8.535  -5.060  -4.804
  392   3HD2  LEU  53          3HD2      LEU  53  -8.516  -3.839  -3.524
  393    H    ALA  54           H        ALA  54  -4.498  -3.050  -7.276
  394    HA   ALA  54           HA       ALA  54  -4.825  -0.310  -7.572
  395   1HB   ALA  54          1HB       ALA  54  -2.651  -1.429  -7.585
  396   2HB   ALA  54          2HB       ALA  54  -2.848  -0.374  -8.987
  397   3HB   ALA  54          3HB       ALA  54  -3.023  -2.120  -9.162
  398    H    LYS  55           H        LYS  55  -5.645  -2.931  -9.783
  399    HA   LYS  55           HA       LYS  55  -6.163  -1.075 -11.928
  400   1HB   LYS  55          2HB       LYS  55  -5.431  -3.470 -12.276
  401   2HB   LYS  55          1HB       LYS  55  -7.035  -3.966 -11.752
  402   1HG   LYS  55          2HG       LYS  55  -8.007  -2.652 -13.612
  403   2HG   LYS  55          1HG       LYS  55  -6.378  -2.278 -14.161
  404   1HD   LYS  55          2HD       LYS  55  -5.966  -4.739 -14.359
  405   2HD   LYS  55          1HD       LYS  55  -7.672  -4.997 -13.989
  406   1HE   LYS  55          2HE       LYS  55  -6.546  -3.481 -16.344
  407   2HE   LYS  55          1HE       LYS  55  -7.303  -5.065 -16.396
  408   1HZ   LYS  55          1HZ       LYS  55  -8.636  -2.489 -15.703
  409   2HZ   LYS  55          2HZ       LYS  55  -9.404  -3.983 -15.656
  410   3HZ   LYS  55          3HZ       LYS  55  -8.836  -3.368 -17.123
  411    H    LYS  56           H        LYS  56  -7.934  -2.599  -9.372
  412    HA   LYS  56           HA       LYS  56 -10.554  -2.193 -10.400
  413   1HB   LYS  56          2HB       LYS  56  -9.602  -2.581  -7.574
  414   2HB   LYS  56          1HB       LYS  56 -11.284  -2.630  -8.089
  415   1HG   LYS  56          2HG       LYS  56 -10.830  -4.568  -9.469
  416   2HG   LYS  56          1HG       LYS  56  -9.119  -4.475  -9.051
  417   1HD   LYS  56          2HD       LYS  56 -10.228  -6.187  -7.765
  418   2HD   LYS  56          1HD       LYS  56  -9.669  -4.891  -6.707
  419   1HE   LYS  56          2HE       LYS  56 -11.964  -3.973  -6.683
  420   2HE   LYS  56          1HE       LYS  56 -12.482  -5.310  -7.711
  421   1HZ   LYS  56          1HZ       LYS  56 -12.989  -5.731  -5.407
  422   2HZ   LYS  56          2HZ       LYS  56 -11.382  -5.524  -4.973
  423   3HZ   LYS  56          3HZ       LYS  56 -11.826  -6.838  -5.936
  424    H    LEU  57           H        LEU  57  -8.444  -0.285  -8.253
  425    HA   LEU  57           HA       LEU  57 -10.466   1.770  -8.332
  426   1HB   LEU  57          2HB       LEU  57  -8.423   1.099  -6.261
  427   2HB   LEU  57          1HB       LEU  57  -9.408   2.549  -6.235
  428    HG   LEU  57           HG       LEU  57 -10.553  -0.204  -6.318
  429   1HD1  LEU  57          1HD1      LEU  57  -9.255   0.108  -4.205
  430   2HD1  LEU  57          2HD1      LEU  57 -10.984   0.033  -3.887
  431   3HD1  LEU  57          3HD1      LEU  57 -10.162   1.589  -3.879
  432   1HD2  LEU  57          1HD2      LEU  57 -11.772   2.464  -5.630
  433   2HD2  LEU  57          2HD2      LEU  57 -12.597   0.916  -5.488
  434   3HD2  LEU  57          3HD2      LEU  57 -12.085   1.491  -7.069
  435    HA   PRO  58           HA       PRO  58  -7.124   3.572 -10.827
  436   1HB   PRO  58          2HB       PRO  58  -8.718   5.244 -12.211
  437   2HB   PRO  58          1HB       PRO  58  -8.612   3.520 -12.588
  438   1HG   PRO  58          2HG       PRO  58 -10.680   4.966 -10.967
  439   2HG   PRO  58          1HG       PRO  58 -10.916   3.756 -12.239
  440   1HD   PRO  58          2HD       PRO  58 -11.010   3.065  -9.602
  441   2HD   PRO  58          1HD       PRO  58 -10.355   1.997 -10.846
  442    H    ASN  59           H        ASN  59  -9.513   5.156  -8.795
  443    HA   ASN  59           HA       ASN  59  -8.012   7.656  -8.906
  444   1HB   ASN  59          2HB       ASN  59 -10.469   7.783  -9.179
  445   2HB   ASN  59          1HB       ASN  59 -10.669   7.050  -7.599
  446   1HD2  ASN  59          1HD2      ASN  59  -9.737   9.946  -9.324
  447   2HD2  ASN  59          2HD2      ASN  59  -9.855  11.009  -7.977
  448    H    VAL  60           H        VAL  60  -7.872   4.897  -7.199
  449    HA   VAL  60           HA       VAL  60  -7.066   6.199  -4.721
  450    HB   VAL  60           HB       VAL  60  -7.361   3.241  -5.388
  451   1HG1  VAL  60          1HG1      VAL  60  -6.607   4.531  -2.754
  452   2HG1  VAL  60          2HG1      VAL  60  -5.534   3.582  -3.778
  453   3HG1  VAL  60          3HG1      VAL  60  -6.923   2.812  -3.006
  454   1HG2  VAL  60          1HG2      VAL  60  -9.477   4.385  -5.124
  455   2HG2  VAL  60          2HG2      VAL  60  -8.939   5.067  -3.591
  456   3HG2  VAL  60          3HG2      VAL  60  -9.187   3.330  -3.737
  457    H    LEU  61           H        LEU  61  -4.992   6.335  -4.106
  458    HA   LEU  61           HA       LEU  61  -3.034   5.845  -6.202
  459   1HB   LEU  61          2HB       LEU  61  -3.327   8.044  -4.878
  460   2HB   LEU  61          1HB       LEU  61  -2.658   7.196  -3.512
  461    HG   LEU  61           HG       LEU  61  -1.009   8.658  -4.545
  462   1HD1  LEU  61          1HD1      LEU  61  -0.117   6.698  -3.499
  463   2HD1  LEU  61          2HD1      LEU  61   0.833   7.127  -4.921
  464   3HD1  LEU  61          3HD1      LEU  61  -0.308   5.781  -4.992
  465   1HD2  LEU  61          1HD2      LEU  61  -1.389   7.023  -7.044
  466   2HD2  LEU  61          2HD2      LEU  61  -0.162   8.262  -6.801
  467   3HD2  LEU  61          3HD2      LEU  61  -1.870   8.703  -6.806
  468    H    PHE  62           H        PHE  62  -1.738   4.069  -6.108
  469    HA   PHE  62           HA       PHE  62  -1.573   2.640  -3.557
  470   1HB   PHE  62          2HB       PHE  62  -1.335   1.541  -6.350
  471   2HB   PHE  62          1HB       PHE  62  -1.080   0.615  -4.894
  472    HD1  PHE  62           1HD      PHE  62  -2.882  -0.147  -3.534
  473    HD2  PHE  62           2HD      PHE  62  -3.649   2.295  -6.926
  474    HE1  PHE  62           1HE      PHE  62  -5.270  -0.693  -3.377
  475    HE2  PHE  62           2HE      PHE  62  -6.040   1.754  -6.776
  476    HZ   PHE  62           HZ       PHE  62  -6.856   0.254  -4.993
  477    H    LEU  63           H        LEU  63   0.338   1.893  -2.895
  478    HA   LEU  63           HA       LEU  63   2.723   2.842  -4.303
  479   1HB   LEU  63          2HB       LEU  63   1.949   3.345  -1.470
  480   2HB   LEU  63          1HB       LEU  63   3.623   3.422  -1.993
  481    HG   LEU  63           HG       LEU  63   1.520   5.004  -3.393
  482   1HD1  LEU  63          1HD1      LEU  63   2.180   6.917  -1.896
  483   2HD1  LEU  63          2HD1      LEU  63   3.229   5.828  -0.983
  484   3HD1  LEU  63          3HD1      LEU  63   1.480   5.614  -0.938
  485   1HD2  LEU  63          1HD2      LEU  63   3.397   6.393  -3.978
  486   2HD2  LEU  63          2HD2      LEU  63   3.717   4.695  -4.401
  487   3HD2  LEU  63          3HD2      LEU  63   4.458   5.411  -2.979
  488    H    LYS  64           H        LYS  64   4.423   1.602  -4.266
  489    HA   LYS  64           HA       LYS  64   4.197  -0.985  -2.878
  490   1HB   LYS  64          2HB       LYS  64   4.169  -0.969  -5.391
  491   2HB   LYS  64          1HB       LYS  64   5.778  -0.277  -5.355
  492   1HG   LYS  64          2HG       LYS  64   5.929  -2.618  -5.790
  493   2HG   LYS  64          1HG       LYS  64   6.558  -2.308  -4.169
  494   1HD   LYS  64          2HD       LYS  64   4.458  -3.037  -3.196
  495   2HD   LYS  64          1HD       LYS  64   3.771  -3.277  -4.806
  496   1HE   LYS  64          2HE       LYS  64   5.499  -4.963  -5.251
  497   2HE   LYS  64          1HE       LYS  64   6.116  -4.731  -3.616
  498   1HZ   LYS  64          1HZ       LYS  64   4.646  -6.647  -3.721
  499   2HZ   LYS  64          2HZ       LYS  64   3.406  -5.679  -4.324
  500   3HZ   LYS  64          3HZ       LYS  64   3.953  -5.430  -2.758
  501    H    VAL  65           H        VAL  65   5.549  -1.032  -1.156
  502    HA   VAL  65           HA       VAL  65   8.084   0.415  -1.405
  503    HB   VAL  65           HB       VAL  65   6.454  -0.104   1.102
  504   1HG1  VAL  65          1HG1      VAL  65   9.097   1.324   0.795
  505   2HG1  VAL  65          2HG1      VAL  65   8.840  -0.231   1.584
  506   3HG1  VAL  65          3HG1      VAL  65   8.141   1.234   2.273
  507   1HG2  VAL  65          1HG2      VAL  65   5.527   1.678  -0.278
  508   2HG2  VAL  65          2HG2      VAL  65   7.101   2.471  -0.331
  509   3HG2  VAL  65          3HG2      VAL  65   6.236   2.337   1.196
  510    H    ASP  66           H        ASP  66   9.703  -0.942  -1.632
  511    HA   ASP  66           HA       ASP  66   9.516  -3.585  -0.472
  512   1HB   ASP  66          2HB       ASP  66  10.434  -3.328  -2.798
  513   2HB   ASP  66          1HB       ASP  66  11.719  -2.366  -2.070
  514    H    THR  67           H        THR  67   9.962  -3.719   1.453
  515    HA   THR  67           HA       THR  67  11.220  -1.697   2.962
  516    HB   THR  67           HB       THR  67  10.908  -3.311   4.892
  517    HG1  THR  67           1HG      THR  67   9.699  -4.828   2.789
  518   1HG2  THR  67          1HG2      THR  67   9.228  -1.604   4.292
  519   2HG2  THR  67          2HG2      THR  67   8.466  -3.087   4.863
  520   3HG2  THR  67          3HG2      THR  67   8.513  -2.729   3.137
  521    H    ASP  68           H        ASP  68  12.629  -4.199   1.220
  522    HA   ASP  68           HA       ASP  68  14.869  -4.609   2.977
  523   1HB   ASP  68          2HB       ASP  68  14.113  -6.262   1.232
  524   2HB   ASP  68          1HB       ASP  68  14.646  -5.134   0.014
  525    H    GLU  69           H        GLU  69  14.091  -2.732   0.079
  526    HA   GLU  69           HA       GLU  69  16.523  -1.338  -0.075
  527   1HB   GLU  69          2HB       GLU  69  13.777  -0.695  -1.093
  528   2HB   GLU  69          1HB       GLU  69  15.247   0.117  -1.558
  529   1HG   GLU  69          2HG       GLU  69  16.052  -2.079  -2.437
  530   2HG   GLU  69          1HG       GLU  69  14.439  -2.711  -2.103
  531    H    LEU  70           H        LEU  70  13.198  -0.224   0.766
  532    HA   LEU  70           HA       LEU  70  14.245   2.118   1.960
  533   1HB   LEU  70          2HB       LEU  70  11.504   1.088   1.373
  534   2HB   LEU  70          1HB       LEU  70  11.811   2.589   2.202
  535    HG   LEU  70           HG       LEU  70  12.607   1.917  -0.634
  536   1HD1  LEU  70          1HD1      LEU  70  10.245   2.337  -0.430
  537   2HD1  LEU  70          2HD1      LEU  70  11.021   3.707  -1.219
  538   3HD1  LEU  70          3HD1      LEU  70  10.553   3.815   0.478
  539   1HD2  LEU  70          1HD2      LEU  70  13.029   4.457   0.946
  540   2HD2  LEU  70          2HD2      LEU  70  13.306   4.273  -0.780
  541   3HD2  LEU  70          3HD2      LEU  70  14.289   3.365   0.363
  542    H    LYS  71           H        LYS  71  15.142   0.191   3.425
  543    HA   LYS  71           HA       LYS  71  13.459  -0.771   5.466
  544   1HB   LYS  71          2HB       LYS  71  15.552  -1.423   6.632
  545   2HB   LYS  71          1HB       LYS  71  15.459  -1.959   4.965
  546   1HG   LYS  71          2HG       LYS  71  16.932  -0.088   4.317
  547   2HG   LYS  71          1HG       LYS  71  17.068   0.349   6.021
  548   1HD   LYS  71          2HD       LYS  71  18.022  -1.812   6.532
  549   2HD   LYS  71          1HD       LYS  71  17.809  -2.326   4.860
  550   1HE   LYS  71          2HE       LYS  71  19.326  -0.478   4.167
  551   2HE   LYS  71          1HE       LYS  71  19.584  -0.128   5.877
  552   1HZ   LYS  71          1HZ       LYS  71  20.524  -2.344   6.158
  553   2HZ   LYS  71          2HZ       LYS  71  21.350  -1.522   4.924
  554   3HZ   LYS  71          3HZ       LYS  71  20.219  -2.683   4.537
  555    H    SER  72           H        SER  72  15.206   2.233   5.151
  556    HA   SER  72           HA       SER  72  15.047   2.925   7.906
  557   1HB   SER  72          2HB       SER  72  15.286   4.736   5.530
  558   2HB   SER  72          1HB       SER  72  15.713   5.124   7.191
  559    HG   SER  72           HG       SER  72  17.208   3.996   5.323
  560    H    VAL  73           H        VAL  73  13.081   3.531   5.044
  561    HA   VAL  73           HA       VAL  73  11.141   5.189   6.269
  562    HB   VAL  73           HB       VAL  73  10.772   3.303   3.911
  563   1HG1  VAL  73          1HG1      VAL  73   8.649   4.041   4.824
  564   2HG1  VAL  73          2HG1      VAL  73   8.933   4.780   3.249
  565   3HG1  VAL  73          3HG1      VAL  73   9.168   5.724   4.720
  566   1HG2  VAL  73          1HG2      VAL  73  12.608   4.853   3.507
  567   2HG2  VAL  73          2HG2      VAL  73  11.568   6.213   3.934
  568   3HG2  VAL  73          3HG2      VAL  73  11.221   5.259   2.494
  569    H    ALA  74           H        ALA  74  11.380   1.728   5.721
  570    HA   ALA  74           HA       ALA  74   8.967   0.889   6.811
  571   1HB   ALA  74          1HB       ALA  74  11.624  -0.522   6.953
  572   2HB   ALA  74          2HB       ALA  74  10.523  -0.562   5.582
  573   3HB   ALA  74          3HB       ALA  74  10.038  -1.277   7.123
  574    H    SER  75           H        SER  75  12.117   1.274   8.421
  575    HA   SER  75           HA       SER  75  11.323   0.573  11.005
  576   1HB   SER  75          2HB       SER  75  13.465   2.519  10.149
  577   2HB   SER  75          1HB       SER  75  13.337   1.745  11.731
  578    HG   SER  75           HG       SER  75  14.161   0.719   9.288
  579    H    ASP  76           H        ASP  76  11.320   3.682   9.341
  580    HA   ASP  76           HA       ASP  76  10.680   5.330  11.528
  581   1HB   ASP  76          2HB       ASP  76  11.593   6.155   9.405
  582   2HB   ASP  76          1HB       ASP  76  10.117   5.686   8.583
  583    H    TRP  77           H        TRP  77   8.678   3.569   9.228
  584    HA   TRP  77           HA       TRP  77   6.284   4.534  10.461
  585   1HB   TRP  77          2HB       TRP  77   6.813   2.840   8.075
  586   2HB   TRP  77          1HB       TRP  77   5.170   3.031   8.689
  587    HD1  TRP  77           HD       TRP  77   8.080   5.227   7.336
  588    HE1  TRP  77           1HE      TRP  77   7.061   7.307   6.222
  589    HE3  TRP  77           3HE      TRP  77   3.155   4.382   8.394
  590    HZ2  TRP  77           2HZ      TRP  77   4.498   8.432   5.823
  591    HZ3  TRP  77           3HZ      TRP  77   1.481   6.009   7.599
  592    HH2  TRP  77           HH       TRP  77   2.144   7.986   6.347
  593    H    ALA  78           H        ALA  78   8.360   2.456  11.519
  594    HA   ALA  78           HA       ALA  78   8.397   0.794  13.029
  595   1HB   ALA  78          1HB       ALA  78   6.458   0.483  14.482
  596   2HB   ALA  78          2HB       ALA  78   5.443   1.353  13.331
  597   3HB   ALA  78          3HB       ALA  78   6.732   2.201  14.180
  598    H    ILE  79           H        ILE  79   7.858   0.209  10.232
  599    HA   ILE  79           HA       ILE  79   6.128  -2.112  10.218
  600    HB   ILE  79           HB       ILE  79   8.061  -1.189   8.066
  601   1HG1  ILE  79          2HG1      ILE  79   6.422   0.592   8.516
  602   2HG1  ILE  79          1HG1      ILE  79   6.148  -0.125   6.936
  603   1HG2  ILE  79          1HG2      ILE  79   5.696  -3.055   7.910
  604   2HG2  ILE  79          2HG2      ILE  79   7.401  -3.502   7.805
  605   3HG2  ILE  79          3HG2      ILE  79   6.668  -2.520   6.536
  606   1HD1  ILE  79          1HD1      ILE  79   4.066   0.328   8.085
  607   2HD1  ILE  79          2HD1      ILE  79   4.584  -0.671   9.442
  608   3HD1  ILE  79          3HD1      ILE  79   4.287  -1.410   7.865
  609    H    GLN  80           H        GLN  80   7.105  -3.421  11.725
  610    HA   GLN  80           HA       GLN  80   9.835  -4.302  11.134
  611   1HB   GLN  80          2HB       GLN  80   9.305  -3.563  13.445
  612   2HB   GLN  80          1HB       GLN  80   8.147  -4.881  13.569
  613   1HG   GLN  80          2HG       GLN  80   9.956  -6.491  13.245
  614   2HG   GLN  80          1HG       GLN  80  11.113  -5.168  13.147
  615   1HE2  GLN  80          1HE2      GLN  80  11.006  -7.341  14.998
  616   2HE2  GLN  80          2HE2      GLN  80  10.901  -6.665  16.578
  617    H    ALA  81           H        ALA  81   6.536  -5.417  11.471
  618    HA   ALA  81           HA       ALA  81   7.315  -8.111  10.746
  619   1HB   ALA  81          1HB       ALA  81   4.931  -8.632  10.984
  620   2HB   ALA  81          2HB       ALA  81   4.592  -6.920  11.237
  621   3HB   ALA  81          3HB       ALA  81   5.547  -7.810  12.417
  622    H    MET  82           H        MET  82   7.487  -8.693   8.760
  623    HA   MET  82           HA       MET  82   6.418  -6.931   6.681
  624   1HB   MET  82          2HB       MET  82   8.617  -8.990   6.427
  625   2HB   MET  82          1HB       MET  82   8.217  -7.705   5.339
  626   1HG   MET  82          2HG       MET  82   9.072  -5.999   6.679
  627   2HG   MET  82          1HG       MET  82   9.060  -7.000   8.123
  628   1HE   MET  82          1HE       MET  82  12.145  -7.516   4.731
  629   2HE   MET  82          2HE       MET  82  10.842  -6.326   4.689
  630   3HE   MET  82          3HE       MET  82  10.472  -8.052   4.609
  631    HA   PRO  83           HA       PRO  83   5.610  -6.955   4.899
  632   1HB   PRO  83          2HB       PRO  83   3.582  -7.210   3.215
  633   2HB   PRO  83          1HB       PRO  83   5.074  -8.123   2.957
  634   1HG   PRO  83          2HG       PRO  83   2.471  -9.047   4.081
  635   2HG   PRO  83          1HG       PRO  83   3.585  -9.895   2.995
  636   1HD   PRO  83          2HD       PRO  83   3.442 -10.195   5.794
  637   2HD   PRO  83          1HD       PRO  83   4.752 -10.764   4.742
  638    H    THR  84           H        THR  84   4.185  -5.073   5.086
  639    HA   THR  84           HA       THR  84   1.769  -5.484   6.671
  640    HB   THR  84           HB       THR  84   3.641  -3.206   6.775
  641    HG1  THR  84           1HG      THR  84   4.158  -5.197   8.100
  642   1HG2  THR  84          1HG2      THR  84   1.030  -3.552   8.257
  643   2HG2  THR  84          2HG2      THR  84   1.379  -2.361   7.006
  644   3HG2  THR  84          3HG2      THR  84   2.181  -2.250   8.574
  645    H    PHE  85           H        PHE  85  -0.049  -4.814   5.664
  646    HA   PHE  85           HA       PHE  85   0.202  -3.058   3.352
  647   1HB   PHE  85          2HB       PHE  85  -2.001  -4.877   4.349
  648   2HB   PHE  85          1HB       PHE  85  -2.159  -3.784   3.003
  649    HD1  PHE  85           1HD      PHE  85  -1.422  -4.397   0.856
  650    HD2  PHE  85           2HD      PHE  85  -0.396  -6.798   4.211
  651    HE1  PHE  85           1HE      PHE  85  -0.634  -6.164  -0.659
  652    HE2  PHE  85           2HE      PHE  85   0.399  -8.568   2.700
  653    HZ   PHE  85           HZ       PHE  85   0.271  -8.243   0.254
  654    H    MET  86           H        MET  86  -0.365  -1.002   3.732
  655    HA   MET  86           HA       MET  86  -2.015  -0.541   6.107
  656   1HB   MET  86          2HB       MET  86   0.242   0.327   6.362
  657   2HB   MET  86          1HB       MET  86   0.037   1.306   4.908
  658   1HG   MET  86          2HG       MET  86  -1.736   2.571   6.010
  659   2HG   MET  86          1HG       MET  86  -1.560   1.579   7.448
  660   1HE   MET  86          1HE       MET  86   0.612   1.578   8.999
  661   2HE   MET  86          2HE       MET  86   2.032   2.574   8.691
  662   3HE   MET  86          3HE       MET  86   1.644   1.240   7.609
  663    H    PHE  87           H        PHE  87  -3.942   0.212   5.793
  664    HA   PHE  87           HA       PHE  87  -4.608   1.382   3.257
  665   1HB   PHE  87          2HB       PHE  87  -6.076   0.032   5.483
  666   2HB   PHE  87          1HB       PHE  87  -6.919   0.837   4.192
  667    HD1  PHE  87           1HD      PHE  87  -7.169  -0.268   2.060
  668    HD2  PHE  87           2HD      PHE  87  -4.658  -1.963   5.051
  669    HE1  PHE  87           1HE      PHE  87  -7.025  -2.343   0.757
  670    HE2  PHE  87           2HE      PHE  87  -4.506  -4.043   3.749
  671    HZ   PHE  87           HZ       PHE  87  -5.691  -4.237   1.598
  672    H    LEU  88           H        LEU  88  -4.680   3.562   3.343
  673    HA   LEU  88           HA       LEU  88  -5.716   4.652   5.760
  674   1HB   LEU  88          2HB       LEU  88  -4.082   6.536   5.733
  675   2HB   LEU  88          1HB       LEU  88  -3.365   4.980   6.041
  676    HG   LEU  88           HG       LEU  88  -3.208   6.351   3.357
  677   1HD1  LEU  88          1HD1      LEU  88  -0.949   7.028   4.049
  678   2HD1  LEU  88          2HD1      LEU  88  -1.240   6.360   5.655
  679   3HD1  LEU  88          3HD1      LEU  88  -2.172   7.749   5.093
  680   1HD2  LEU  88          1HD2      LEU  88  -1.308   4.842   3.016
  681   2HD2  LEU  88          2HD2      LEU  88  -2.771   3.919   3.354
  682   3HD2  LEU  88          3HD2      LEU  88  -1.557   4.150   4.615
  683    H    LYS  89           H        LYS  89  -6.408   6.985   5.390
  684    HA   LYS  89           HA       LYS  89  -7.403   7.247   2.653
  685   1HB   LYS  89          2HB       LYS  89  -9.060   6.088   4.022
  686   2HB   LYS  89          1HB       LYS  89  -9.019   7.409   5.171
  687   1HG   LYS  89          2HG       LYS  89 -10.041   8.887   3.571
  688   2HG   LYS  89          1HG       LYS  89  -9.949   7.643   2.313
  689   1HD   LYS  89          2HD       LYS  89 -11.392   6.191   3.678
  690   2HD   LYS  89          1HD       LYS  89 -11.506   7.462   4.893
  691   1HE   LYS  89          2HE       LYS  89 -12.619   8.910   3.290
  692   2HE   LYS  89          1HE       LYS  89 -12.424   7.685   2.033
  693   1HZ   LYS  89          1HZ       LYS  89 -13.823   6.197   3.318
  694   2HZ   LYS  89          2HZ       LYS  89 -14.652   7.618   2.979
  695   3HZ   LYS  89          3HZ       LYS  89 -14.030   7.355   4.520
  696    H    GLU  90           H        GLU  90  -6.916   9.116   1.903
  697    HA   GLU  90           HA       GLU  90  -6.582  11.197   1.606
  698   1HB   GLU  90          2HB       GLU  90  -7.796  11.599   4.311
  699   2HB   GLU  90          1HB       GLU  90  -7.471  12.926   3.211
  700   1HG   GLU  90          2HG       GLU  90  -9.078  12.006   1.629
  701   2HG   GLU  90          1HG       GLU  90  -9.369  10.633   2.695
  702    H    GLY  91           H        GLY  91  -4.745   9.452   3.206
  703   1HA   GLY  91          2HA       GLY  91  -2.486   9.804   3.817
  704   2HA   GLY  91          1HA       GLY  91  -2.859  11.498   4.106
  705    H    LYS  92           H        LYS  92  -5.282   9.837   5.527
  706    HA   LYS  92           HA       LYS  92  -3.970   9.868   8.140
  707   1HB   LYS  92          2HB       LYS  92  -6.884   9.980   7.343
  708   2HB   LYS  92          1HB       LYS  92  -6.301   9.972   9.005
  709   1HG   LYS  92          2HG       LYS  92  -5.179  12.065   8.683
  710   2HG   LYS  92          1HG       LYS  92  -5.583  12.055   6.966
  711   1HD   LYS  92          2HD       LYS  92  -7.932  12.251   7.495
  712   2HD   LYS  92          1HD       LYS  92  -7.576  12.136   9.220
  713   1HE   LYS  92          2HE       LYS  92  -6.583  14.287   7.378
  714   2HE   LYS  92          1HE       LYS  92  -7.962  14.457   8.463
  715   1HZ   LYS  92          1HZ       LYS  92  -5.129  13.986   9.288
  716   2HZ   LYS  92          2HZ       LYS  92  -6.441  14.035  10.329
  717   3HZ   LYS  92          3HZ       LYS  92  -6.020  15.407   9.471
  718    H    ILE  93           H        ILE  93  -3.827   7.985   9.289
  719    HA   ILE  93           HA       ILE  93  -4.058   5.567   7.786
  720    HB   ILE  93           HB       ILE  93  -3.262   5.963  10.683
  721   1HG1  ILE  93          2HG1      ILE  93  -1.551   5.643   8.196
  722   2HG1  ILE  93          1HG1      ILE  93  -1.792   7.143   9.081
  723   1HG2  ILE  93          1HG2      ILE  93  -2.892   3.568   8.868
  724   2HG2  ILE  93          2HG2      ILE  93  -3.982   3.661  10.249
  725   3HG2  ILE  93          3HG2      ILE  93  -2.235   3.727  10.499
  726   1HD1  ILE  93          1HD1      ILE  93  -0.684   6.160  11.031
  727   2HD1  ILE  93          2HD1      ILE  93   0.356   6.133   9.609
  728   3HD1  ILE  93          3HD1      ILE  93  -0.455   4.658  10.137
  729    H    LEU  94           H        LEU  94  -5.731   4.203   7.682
  730    HA   LEU  94           HA       LEU  94  -7.818   4.458   9.666
  731   1HB   LEU  94          2HB       LEU  94  -7.703   3.014   7.038
  732   2HB   LEU  94          1HB       LEU  94  -9.075   2.933   8.088
  733    HG   LEU  94           HG       LEU  94  -8.043   5.351   6.612
  734   1HD1  LEU  94          1HD1      LEU  94  -9.278   3.827   5.223
  735   2HD1  LEU  94          2HD1      LEU  94 -10.263   5.256   5.544
  736   3HD1  LEU  94          3HD1      LEU  94 -10.580   3.754   6.407
  737   1HD2  LEU  94          1HD2      LEU  94  -9.966   6.565   7.547
  738   2HD2  LEU  94          2HD2      LEU  94  -8.836   6.078   8.804
  739   3HD2  LEU  94          3HD2      LEU  94 -10.339   5.181   8.573
  740    H    ASP  95           H        ASP  95  -6.342   1.753   7.882
  741    HA   ASP  95           HA       ASP  95  -5.878   0.361  10.328
  742   1HB   ASP  95          2HB       ASP  95  -7.077  -1.624   9.490
  743   2HB   ASP  95          1HB       ASP  95  -8.144  -0.370  10.088
  744    H    LYS  96           H        LYS  96  -4.780  -1.591   9.997
  745    HA   LYS  96           HA       LYS  96  -3.440  -1.802   7.419
  746   1HB   LYS  96          2HB       LYS  96  -1.223  -1.883   8.526
  747   2HB   LYS  96          1HB       LYS  96  -2.001  -0.310   8.649
  748   1HG   LYS  96          2HG       LYS  96  -2.691  -0.820  10.921
  749   2HG   LYS  96          1HG       LYS  96  -1.915  -2.401  10.816
  750   1HD   LYS  96          2HD       LYS  96   0.247  -1.314  10.517
  751   2HD   LYS  96          1HD       LYS  96  -0.532   0.270  10.571
  752   1HE   LYS  96          2HE       LYS  96  -1.304  -0.185  12.845
  753   2HE   LYS  96          1HE       LYS  96  -0.533  -1.768  12.793
  754   1HZ   LYS  96          1HZ       LYS  96   0.827  -0.130  13.949
  755   2HZ   LYS  96          2HZ       LYS  96   0.895   0.829  12.568
  756   3HZ   LYS  96          3HZ       LYS  96   1.602  -0.685  12.572
  757    H    VAL  97           H        VAL  97  -2.338  -3.765   7.137
  758    HA   VAL  97           HA       VAL  97  -3.275  -5.936   8.896
  759    HB   VAL  97           HB       VAL  97  -2.382  -6.113   6.001
  760   1HG1  VAL  97          1HG1      VAL  97  -3.740  -8.149   7.750
  761   2HG1  VAL  97          2HG1      VAL  97  -2.064  -8.180   7.206
  762   3HG1  VAL  97          3HG1      VAL  97  -3.373  -8.357   6.038
  763   1HG2  VAL  97          1HG2      VAL  97  -4.455  -4.840   6.110
  764   2HG2  VAL  97          2HG2      VAL  97  -5.211  -6.124   7.058
  765   3HG2  VAL  97          3HG2      VAL  97  -4.735  -6.421   5.388
  766    H    VAL  98           H        VAL  98  -1.643  -6.758  10.040
  767    HA   VAL  98           HA       VAL  98   1.027  -6.258   9.023
  768    HB   VAL  98           HB       VAL  98   0.525  -5.037  11.048
  769   1HG1  VAL  98          1HG1      VAL  98  -1.123  -6.430  12.095
  770   2HG1  VAL  98          2HG1      VAL  98   0.204  -6.117  13.219
  771   3HG1  VAL  98          3HG1      VAL  98   0.093  -7.674  12.405
  772   1HG2  VAL  98          1HG2      VAL  98   2.811  -5.689  10.689
  773   2HG2  VAL  98          2HG2      VAL  98   2.522  -7.227  11.512
  774   3HG2  VAL  98          3HG2      VAL  98   2.450  -5.716  12.416
  775    H    GLY  99           H        GLY  99   2.056  -7.892   8.248
  776   1HA   GLY  99          2HA       GLY  99   3.097 -10.006   8.453
  777   2HA   GLY  99          1HA       GLY  99   1.751 -10.530   9.473
  778    H    ALA 100           H        ALA 100   2.554 -12.019   7.177
  779    HA   ALA 100           HA       ALA 100   0.738 -11.214   5.083
  780   1HB   ALA 100          1HB       ALA 100   2.322 -13.771   5.386
  781   2HB   ALA 100          2HB       ALA 100   2.851 -12.335   4.510
  782   3HB   ALA 100          3HB       ALA 100   1.461 -13.253   3.936
  783    H    LYS 101           H        LYS 101  -1.309 -11.372   5.538
  784    HA   LYS 101           HA       LYS 101  -2.331 -13.871   6.613
  785   1HB   LYS 101          2HB       LYS 101  -3.307 -11.070   6.981
  786   2HB   LYS 101          1HB       LYS 101  -4.156 -12.511   7.512
  787   1HG   LYS 101          2HG       LYS 101  -1.390 -11.864   8.498
  788   2HG   LYS 101          1HG       LYS 101  -2.842 -11.164   9.216
  789   1HD   LYS 101          2HD       LYS 101  -2.097 -13.023  10.532
  790   2HD   LYS 101          1HD       LYS 101  -3.579 -13.410   9.673
  791   1HE   LYS 101          2HE       LYS 101  -2.451 -14.846   8.166
  792   2HE   LYS 101          1HE       LYS 101  -0.851 -14.278   8.693
  793   1HZ   LYS 101          1HZ       LYS 101  -1.301 -15.314  10.819
  794   2HZ   LYS 101          2HZ       LYS 101  -1.407 -16.449   9.571
  795   3HZ   LYS 101          3HZ       LYS 101  -2.814 -15.834  10.285
  796    H    LYS 102           H        LYS 102  -3.304 -14.851   4.832
  797    HA   LYS 102           HA       LYS 102  -4.072 -13.381   2.559
  798   1HB   LYS 102          2HB       LYS 102  -3.292 -15.823   2.802
  799   2HB   LYS 102          1HB       LYS 102  -4.947 -16.156   3.265
  800   1HG   LYS 102          2HG       LYS 102  -4.103 -14.941   0.639
  801   2HG   LYS 102          1HG       LYS 102  -4.390 -16.646   0.956
  802   1HD   LYS 102          2HD       LYS 102  -6.480 -14.474   1.274
  803   2HD   LYS 102          1HD       LYS 102  -6.298 -15.451  -0.180
  804   1HE   LYS 102          2HE       LYS 102  -6.695 -17.483   1.207
  805   2HE   LYS 102          1HE       LYS 102  -6.964 -16.433   2.591
  806   1HZ   LYS 102          1HZ       LYS 102  -9.015 -17.165   1.539
  807   2HZ   LYS 102          2HZ       LYS 102  -8.605 -16.401   0.108
  808   3HZ   LYS 102          3HZ       LYS 102  -8.907 -15.497   1.496
  809    H    ASP 103           H        ASP 103  -5.859 -14.982   5.176
  810    HA   ASP 103           HA       ASP 103  -8.399 -14.253   4.172
  811   1HB   ASP 103          2HB       ASP 103  -8.170 -16.173   5.638
  812   2HB   ASP 103          1HB       ASP 103  -7.624 -15.137   6.953
  813    H    GLU 104           H        GLU 104  -6.349 -12.807   6.663
  814    HA   GLU 104           HA       GLU 104  -8.228 -10.846   7.423
  815   1HB   GLU 104          2HB       GLU 104  -6.274 -11.450   8.812
  816   2HB   GLU 104          1HB       GLU 104  -5.224 -10.724   7.612
  817   1HG   GLU 104          2HG       GLU 104  -5.500  -9.266   9.513
  818   2HG   GLU 104          1HG       GLU 104  -6.183  -8.547   8.057
  819    H    LEU 105           H        LEU 105  -5.822 -10.914   4.846
  820    HA   LEU 105           HA       LEU 105  -5.920  -8.216   4.097
  821   1HB   LEU 105          2HB       LEU 105  -4.393  -9.962   3.147
  822   2HB   LEU 105          1HB       LEU 105  -5.749 -10.606   2.291
  823    HG   LEU 105           HG       LEU 105  -6.041  -8.522   1.043
  824   1HD1  LEU 105          1HD1      LEU 105  -3.500  -7.652   2.410
  825   2HD1  LEU 105          2HD1      LEU 105  -5.102  -6.931   2.599
  826   3HD1  LEU 105          3HD1      LEU 105  -4.262  -6.823   1.055
  827   1HD2  LEU 105          1HD2      LEU 105  -4.731 -10.323   0.062
  828   2HD2  LEU 105          2HD2      LEU 105  -3.276  -9.702   0.842
  829   3HD2  LEU 105          3HD2      LEU 105  -4.076  -8.753  -0.409
  830    H    GLN 106           H        GLN 106  -7.706 -10.964   2.956
  831    HA   GLN 106           HA       GLN 106  -9.535  -9.591   1.272
  832   1HB   GLN 106          2HB       GLN 106  -9.989 -12.204   2.724
  833   2HB   GLN 106          1HB       GLN 106 -10.944 -11.599   1.379
  834   1HG   GLN 106          2HG       GLN 106  -8.042 -12.397   1.299
  835   2HG   GLN 106          1HG       GLN 106  -9.392 -13.311   0.636
  836   1HE2  GLN 106          1HE2      GLN 106  -7.282 -10.618   0.224
  837   2HE2  GLN 106          2HE2      GLN 106  -7.754 -10.235  -1.385
  838    H    SER 107           H        SER 107  -9.727 -10.467   4.656
  839    HA   SER 107           HA       SER 107 -12.317  -9.583   5.191
  840   1HB   SER 107          2HB       SER 107 -10.965 -10.937   6.760
  841   2HB   SER 107          1HB       SER 107  -9.855  -9.590   6.951
  842    HG   SER 107           HG       SER 107 -12.596  -9.596   7.638
  843    H    THR 108           H        THR 108  -9.217  -7.877   5.314
  844    HA   THR 108           HA       THR 108 -10.213  -5.373   6.143
  845    HB   THR 108           HB       THR 108  -7.735  -6.028   4.529
  846    HG1  THR 108           1HG      THR 108  -7.780  -7.116   6.499
  847   1HG2  THR 108          1HG2      THR 108  -8.287  -3.627   4.478
  848   2HG2  THR 108          2HG2      THR 108  -6.849  -3.916   5.453
  849   3HG2  THR 108          3HG2      THR 108  -8.384  -3.594   6.235
  850    H    ILE 109           H        ILE 109 -10.023  -6.860   2.976
  851    HA   ILE 109           HA       ILE 109 -10.611  -4.493   1.551
  852    HB   ILE 109           HB       ILE 109 -11.247  -7.348   0.772
  853   1HG1  ILE 109          2HG1      ILE 109  -8.889  -7.094   1.256
  854   2HG1  ILE 109          1HG1      ILE 109  -9.161  -7.267  -0.475
  855   1HG2  ILE 109          1HG2      ILE 109 -12.471  -5.709  -0.548
  856   2HG2  ILE 109          2HG2      ILE 109 -11.206  -6.454  -1.542
  857   3HG2  ILE 109          3HG2      ILE 109 -10.976  -4.834  -0.860
  858   1HD1  ILE 109          1HD1      ILE 109  -8.601  -4.682   0.985
  859   2HD1  ILE 109          2HD1      ILE 109  -8.835  -4.849  -0.756
  860   3HD1  ILE 109          3HD1      ILE 109  -7.440  -5.595   0.027
  861    H    ALA 110           H        ALA 110 -12.621  -7.087   2.896
  862    HA   ALA 110           HA       ALA 110 -15.071  -5.979   1.992
  863   1HB   ALA 110          1HB       ALA 110 -14.599  -7.863   4.310
  864   2HB   ALA 110          2HB       ALA 110 -14.832  -8.352   2.631
  865   3HB   ALA 110          3HB       ALA 110 -16.143  -7.564   3.509
  866    H    LYS 111           H        LYS 111 -13.103  -5.399   4.898
  867    HA   LYS 111           HA       LYS 111 -14.926  -4.036   6.348
  868   1HB   LYS 111          2HB       LYS 111 -12.074  -4.273   5.997
  869   2HB   LYS 111          1HB       LYS 111 -12.622  -3.127   7.176
  870   1HG   LYS 111          2HG       LYS 111 -13.802  -5.042   8.330
  871   2HG   LYS 111          1HG       LYS 111 -13.133  -6.120   7.106
  872   1HD   LYS 111          2HD       LYS 111 -10.839  -5.509   7.864
  873   2HD   LYS 111          1HD       LYS 111 -11.572  -4.461   9.079
  874   1HE   LYS 111          2HE       LYS 111 -12.572  -6.371  10.165
  875   2HE   LYS 111          1HE       LYS 111 -12.001  -7.436   8.884
  876   1HZ   LYS 111          1HZ       LYS 111 -10.213  -5.867  10.659
  877   2HZ   LYS 111          2HZ       LYS 111  -9.724  -7.132   9.610
  878   3HZ   LYS 111          3HZ       LYS 111 -10.653  -7.439  10.954
  879    H    HIS 112           H        HIS 112 -12.760  -3.080   3.692
  880    HA   HIS 112           HA       HIS 112 -13.475  -0.305   3.996
  881   1HB   HIS 112          2HB       HIS 112 -11.597  -1.783   2.209
  882   2HB   HIS 112          1HB       HIS 112 -12.031  -0.117   1.899
  883    HD1  HIS 112           1HD      HIS 112 -10.893   1.634   3.293
  884    HD2  HIS 112           2HD      HIS 112 -10.106  -2.208   4.597
  885    HE1  HIS 112           1HE      HIS 112  -9.031   1.851   4.975
  886    HE2  HIS 112           2HE      HIS 112  -8.925  -0.424   6.006
  887    H    LEU 113           H        LEU 113 -14.514  -3.063   2.156
  888    HA   LEU 113           HA       LEU 113 -15.441  -1.836  -0.126
  889   1HB   LEU 113          2HB       LEU 113 -15.102  -4.336   0.493
  890   2HB   LEU 113          1HB       LEU 113 -16.680  -4.163   1.212
  891    HG   LEU 113           HG       LEU 113 -16.098  -3.644  -1.587
  892   1HD1  LEU 113          1HD1      LEU 113 -17.145  -5.903  -2.026
  893   2HD1  LEU 113          2HD1      LEU 113 -17.167  -6.148  -0.271
  894   3HD1  LEU 113          3HD1      LEU 113 -15.630  -5.965  -1.123
  895   1HD2  LEU 113          1HD2      LEU 113 -18.558  -3.944  -1.935
  896   2HD2  LEU 113          2HD2      LEU 113 -18.153  -2.583  -0.888
  897   3HD2  LEU 113          3HD2      LEU 113 -18.731  -4.091  -0.185
  898    H    ALA 114           H        ALA 114 -16.804  -0.235  -0.140
  899    HA   ALA 114           HA       ALA 114 -19.332  -0.479   1.241
  900   1HB   ALA 114          1HB       ALA 114 -19.217   1.845   2.043
  901   2HB   ALA 114          2HB       ALA 114 -17.571   1.973   1.432
  902   3HB   ALA 114          3HB       ALA 114 -17.933   0.867   2.755
  Start of MODEL    4
    1    H    MET   1           H        MET   1 -12.254  -0.109 -22.788
    2    HA   MET   1           HA       MET   1 -12.584   0.748 -20.718
    3   1HB   MET   1          2HB       MET   1 -14.381  -1.017 -20.648
    4   2HB   MET   1          1HB       MET   1 -13.222  -2.132 -19.950
    5   1HG   MET   1          2HG       MET   1 -13.079  -0.765 -17.944
    6   2HG   MET   1          1HG       MET   1 -14.161   0.429 -18.654
    7   1HE   MET   1          1HE       MET   1 -14.629  -0.881 -15.780
    8   2HE   MET   1          2HE       MET   1 -16.361  -1.215 -15.831
    9   3HE   MET   1          3HE       MET   1 -15.737   0.296 -16.486
   10    H    ALA   2           H        ALA   2 -10.028  -0.113 -21.566
   11    HA   ALA   2           HA       ALA   2  -8.646  -1.240 -19.306
   12   1HB   ALA   2          1HB       ALA   2  -7.535  -0.010 -21.826
   13   2HB   ALA   2          2HB       ALA   2  -7.882  -1.723 -21.581
   14   3HB   ALA   2          3HB       ALA   2  -6.621  -0.933 -20.635
   15    H    SER   3           H        SER   3  -8.164  -0.110 -17.599
   16    HA   SER   3           HA       SER   3  -7.616   2.761 -17.900
   17   1HB   SER   3          2HB       SER   3  -8.635   1.217 -15.497
   18   2HB   SER   3          1HB       SER   3  -8.423   2.967 -15.602
   19    HG   SER   3           HG       SER   3  -9.880   2.599 -17.571
   20    H    GLU   4           H        GLU   4  -6.070   3.445 -15.956
   21    HA   GLU   4           HA       GLU   4  -3.821   1.674 -15.950
   22   1HB   GLU   4          2HB       GLU   4  -3.562   4.178 -15.821
   23   2HB   GLU   4          1HB       GLU   4  -4.352   4.137 -14.256
   24   1HG   GLU   4          2HG       GLU   4  -2.500   2.903 -13.318
   25   2HG   GLU   4          1HG       GLU   4  -1.728   2.825 -14.903
   26    H    GLU   5           H        GLU   5  -4.309  -0.180 -15.041
   27    HA   GLU   5           HA       GLU   5  -5.334  -0.219 -12.304
   28   1HB   GLU   5          2HB       GLU   5  -7.051  -1.861 -12.985
   29   2HB   GLU   5          1HB       GLU   5  -7.251  -0.344 -13.841
   30   1HG   GLU   5          2HG       GLU   5  -6.055  -1.326 -15.769
   31   2HG   GLU   5          1HG       GLU   5  -6.024  -2.867 -14.929
   32    H    GLY   6           H        GLY   6  -4.627  -2.014 -11.170
   33   1HA   GLY   6          2HA       GLY   6  -3.691  -4.122 -10.843
   34   2HA   GLY   6          1HA       GLY   6  -3.395  -4.227 -12.575
   35    H    GLN   7           H        GLN   7  -2.358  -1.332 -11.288
   36    HA   GLN   7           HA       GLN   7   0.277  -2.394 -10.831
   37   1HB   GLN   7          2HB       GLN   7   1.225  -0.415 -12.041
   38   2HB   GLN   7          1HB       GLN   7   0.555  -1.723 -12.996
   39   1HG   GLN   7          2HG       GLN   7  -1.509  -0.366 -13.292
   40   2HG   GLN   7          1HG       GLN   7  -0.755   0.929 -12.370
   41   1HE2  GLN   7          1HE2      GLN   7   0.921   2.066 -13.286
   42   2HE2  GLN   7          2HE2      GLN   7   1.220   2.077 -14.985
   43    H    VAL   8           H        VAL   8   1.487  -1.467  -9.548
   44    HA   VAL   8           HA       VAL   8   0.329   0.530  -7.692
   45    HB   VAL   8           HB       VAL   8   2.179  -1.802  -7.090
   46   1HG1  VAL   8          1HG1      VAL   8   2.549   0.045  -5.583
   47   2HG1  VAL   8          2HG1      VAL   8   1.771  -1.306  -4.754
   48   3HG1  VAL   8          3HG1      VAL   8   0.826   0.112  -5.220
   49   1HG2  VAL   8          1HG2      VAL   8   0.270  -2.799  -5.939
   50   2HG2  VAL   8          2HG2      VAL   8  -0.058  -2.567  -7.657
   51   3HG2  VAL   8          3HG2      VAL   8  -0.750  -1.465  -6.469
   52    H    ILE   9           H        ILE   9   1.782   2.248  -6.980
   53    HA   ILE   9           HA       ILE   9   4.105   2.523  -8.668
   54    HB   ILE   9           HB       ILE   9   2.942   4.379  -6.570
   55   1HG1  ILE   9          2HG1      ILE   9   2.805   4.468  -9.594
   56   2HG1  ILE   9          1HG1      ILE   9   1.481   4.032  -8.524
   57   1HG2  ILE   9          1HG2      ILE   9   4.417   6.102  -7.547
   58   2HG2  ILE   9          2HG2      ILE   9   5.130   4.882  -8.605
   59   3HG2  ILE   9          3HG2      ILE   9   5.341   4.766  -6.855
   60   1HD1  ILE   9          1HD1      ILE   9   1.506   6.286  -7.593
   61   2HD1  ILE   9          2HD1      ILE   9   1.267   6.306  -9.347
   62   3HD1  ILE   9          3HD1      ILE   9   2.849   6.698  -8.659
   63    H    ALA  10           H        ALA  10   5.961   1.612  -8.040
   64    HA   ALA  10           HA       ALA  10   6.430   1.166  -5.206
   65   1HB   ALA  10          1HB       ALA  10   6.758  -0.727  -6.733
   66   2HB   ALA  10          2HB       ALA  10   8.268  -0.271  -5.948
   67   3HB   ALA  10          3HB       ALA  10   7.973   0.195  -7.620
   68    H    CYS  11           H        CYS  11   7.447   2.770  -4.137
   69    HA   CYS  11           HA       CYS  11   9.113   4.598  -5.601
   70   1HB   CYS  11          2HB       CYS  11   8.334   4.525  -2.684
   71   2HB   CYS  11          1HB       CYS  11   9.166   5.806  -3.528
   72    HG   CYS  11           HG       CYS  11   6.016   4.831  -4.398
   73    H    HIS  12           H        HIS  12  11.320   4.861  -5.141
   74    HA   HIS  12           HA       HIS  12  12.485   2.667  -3.569
   75   1HB   HIS  12          2HB       HIS  12  13.580   3.855  -6.124
   76   2HB   HIS  12          1HB       HIS  12  14.366   2.615  -5.156
   77    HD1  HIS  12           1HD      HIS  12  13.551   0.192  -5.473
   78    HD2  HIS  12           2HD      HIS  12  11.347   2.995  -7.616
   79    HE1  HIS  12           1HE      HIS  12  12.091  -1.124  -7.003
   80    HE2  HIS  12           2HE      HIS  12  11.157   0.611  -8.544
   81    H    THR  13           H        THR  13  11.875   5.768  -3.345
   82    HA   THR  13           HA       THR  13  14.316   6.326  -1.869
   83    HB   THR  13           HB       THR  13  14.310   8.693  -2.802
   84    HG1  THR  13           1HG      THR  13  12.832   7.626  -4.938
   85   1HG2  THR  13          1HG2      THR  13  15.997   7.091  -3.566
   86   2HG2  THR  13          2HG2      THR  13  15.478   8.147  -4.884
   87   3HG2  THR  13          3HG2      THR  13  14.874   6.495  -4.793
   88    H    VAL  14           H        VAL  14  13.957   7.709  -0.092
   89    HA   VAL  14           HA       VAL  14  11.263   7.885   0.773
   90    HB   VAL  14           HB       VAL  14  13.121   7.580   2.397
   91   1HG1  VAL  14          1HG1      VAL  14  14.824   8.962   1.447
   92   2HG1  VAL  14          2HG1      VAL  14  14.509   9.480   3.102
   93   3HG1  VAL  14          3HG1      VAL  14  13.872  10.413   1.747
   94   1HG2  VAL  14          1HG2      VAL  14  12.359   9.154   4.135
   95   2HG2  VAL  14          2HG2      VAL  14  11.013   8.431   3.253
   96   3HG2  VAL  14          3HG2      VAL  14  11.512  10.083   2.898
   97    H    GLU  15           H        GLU  15  13.387   9.912  -0.956
   98    HA   GLU  15           HA       GLU  15  12.260  12.454  -0.555
   99   1HB   GLU  15          2HB       GLU  15  14.445  11.910  -1.672
  100   2HB   GLU  15          1HB       GLU  15  13.539  11.374  -3.069
  101   1HG   GLU  15          2HG       GLU  15  14.401  13.612  -3.410
  102   2HG   GLU  15          1HG       GLU  15  12.639  13.634  -3.352
  103    H    THR  16           H        THR  16  11.665  10.024  -3.127
  104    HA   THR  16           HA       THR  16   9.481  11.404  -4.275
  105    HB   THR  16           HB       THR  16  10.179   8.448  -4.396
  106    HG1  THR  16           1HG      THR  16  11.058  10.732  -5.702
  107   1HG2  THR  16          1HG2      THR  16   7.851   8.876  -5.089
  108   2HG2  THR  16          2HG2      THR  16   8.847   8.421  -6.472
  109   3HG2  THR  16          3HG2      THR  16   8.413  10.110  -6.216
  110    H    TRP  17           H        TRP  17   9.757   8.882  -1.847
  111    HA   TRP  17           HA       TRP  17   7.139   8.135  -1.461
  112   1HB   TRP  17          2HB       TRP  17   8.910   6.932  -0.416
  113   2HB   TRP  17          1HB       TRP  17   9.459   8.390   0.402
  114    HD1  TRP  17           HD       TRP  17   8.809   8.589   2.816
  115    HE1  TRP  17           1HE      TRP  17   7.104   7.564   4.354
  116    HE3  TRP  17           3HE      TRP  17   6.236   5.859  -0.648
  117    HZ2  TRP  17           2HZ      TRP  17   4.873   5.778   4.141
  118    HZ3  TRP  17           3HZ      TRP  17   4.320   4.526   0.111
  119    HH2  TRP  17           HH       TRP  17   3.660   4.495   2.475
  120    H    ASN  18           H        ASN  18   8.864  10.725   0.279
  121    HA   ASN  18           HA       ASN  18   6.700  11.560   1.881
  122   1HB   ASN  18          2HB       ASN  18   9.088  12.203   2.233
  123   2HB   ASN  18          1HB       ASN  18   8.965  13.270   0.844
  124   1HD2  ASN  18          1HD2      ASN  18   9.385  15.121   2.012
  125   2HD2  ASN  18          2HD2      ASN  18   8.285  15.798   3.142
  126    H    GLU  19           H        GLU  19   7.752  12.486  -1.296
  127    HA   GLU  19           HA       GLU  19   6.056  14.681  -1.749
  128   1HB   GLU  19          2HB       GLU  19   8.028  14.260  -3.090
  129   2HB   GLU  19          1HB       GLU  19   7.347  12.753  -3.670
  130   1HG   GLU  19          2HG       GLU  19   5.621  13.961  -4.852
  131   2HG   GLU  19          1HG       GLU  19   6.241  15.491  -4.224
  132    H    GLN  20           H        GLN  20   5.666  11.176  -2.575
  133    HA   GLN  20           HA       GLN  20   3.296  11.378  -3.912
  134   1HB   GLN  20          2HB       GLN  20   4.404   9.254  -2.202
  135   2HB   GLN  20          1HB       GLN  20   3.082   9.042  -3.324
  136   1HG   GLN  20          2HG       GLN  20   5.938   9.725  -4.029
  137   2HG   GLN  20          1HG       GLN  20   5.190   8.147  -4.220
  138   1HE2  GLN  20          1HE2      GLN  20   5.589   8.072  -6.376
  139   2HE2  GLN  20          2HE2      GLN  20   4.793   9.046  -7.549
  140    H    LEU  21           H        LEU  21   3.992  10.883  -0.399
  141    HA   LEU  21           HA       LEU  21   1.367  10.530   0.344
  142   1HB   LEU  21          2HB       LEU  21   3.832  11.395   1.660
  143   2HB   LEU  21          1HB       LEU  21   2.346  11.155   2.533
  144    HG   LEU  21           HG       LEU  21   4.006   9.075   1.094
  145   1HD1  LEU  21          1HD1      LEU  21   4.921   9.792   3.217
  146   2HD1  LEU  21          2HD1      LEU  21   4.307   8.141   3.328
  147   3HD1  LEU  21          3HD1      LEU  21   3.374   9.478   4.006
  148   1HD2  LEU  21          1HD2      LEU  21   1.628   8.536   0.842
  149   2HD2  LEU  21          2HD2      LEU  21   1.394   8.723   2.577
  150   3HD2  LEU  21          3HD2      LEU  21   2.404   7.417   1.961
  151    H    GLN  22           H        GLN  22   3.469  13.358   0.299
  152    HA   GLN  22           HA       GLN  22   1.749  15.191   1.442
  153   1HB   GLN  22          2HB       GLN  22   4.035  15.756   0.882
  154   2HB   GLN  22          1HB       GLN  22   3.694  15.584  -0.834
  155   1HG   GLN  22          2HG       GLN  22   2.129  17.476  -0.681
  156   2HG   GLN  22          1HG       GLN  22   2.564  17.675   1.014
  157   1HE2  GLN  22          1HE2      GLN  22   2.855  19.469  -1.238
  158   2HE2  GLN  22          2HE2      GLN  22   4.529  19.865  -1.329
  159    H    LYS  23           H        LYS  23   2.055  14.204  -1.916
  160    HA   LYS  23           HA       LYS  23   0.072  15.861  -2.973
  161   1HB   LYS  23          2HB       LYS  23   1.780  14.782  -4.335
  162   2HB   LYS  23          1HB       LYS  23   1.113  13.207  -3.952
  163   1HG   LYS  23          2HG       LYS  23  -0.901  13.724  -5.175
  164   2HG   LYS  23          1HG       LYS  23  -0.320  15.363  -5.488
  165   1HD   LYS  23          2HD       LYS  23   1.570  14.471  -6.713
  166   2HD   LYS  23          1HD       LYS  23   1.024  12.824  -6.391
  167   1HE   LYS  23          2HE       LYS  23  -1.009  13.247  -7.651
  168   2HE   LYS  23          1HE       LYS  23  -0.506  14.914  -7.931
  169   1HZ   LYS  23          1HZ       LYS  23   1.389  14.100  -9.162
  170   2HZ   LYS  23          2HZ       LYS  23  -0.039  13.476  -9.826
  171   3HZ   LYS  23          3HZ       LYS  23   0.941  12.500  -8.880
  172    H    ALA  24           H        ALA  24  -0.111  12.520  -1.701
  173    HA   ALA  24           HA       ALA  24  -2.851  12.199  -2.398
  174   1HB   ALA  24          1HB       ALA  24  -1.347  10.294  -2.032
  175   2HB   ALA  24          2HB       ALA  24  -2.765  10.209  -0.982
  176   3HB   ALA  24          3HB       ALA  24  -1.213  10.729  -0.329
  177    H    ASN  25           H        ASN  25  -1.154  13.299   0.428
  178    HA   ASN  25           HA       ASN  25  -3.247  13.349   2.328
  179   1HB   ASN  25          2HB       ASN  25  -0.739  13.588   2.702
  180   2HB   ASN  25          1HB       ASN  25  -0.909  15.196   2.112
  181   1HD2  ASN  25          1HD2      ASN  25  -1.701  13.127   4.803
  182   2HD2  ASN  25          2HD2      ASN  25  -2.114  14.377   5.894
  183    H    GLU  26           H        GLU  26  -1.770  15.847   0.433
  184    HA   GLU  26           HA       GLU  26  -3.542  17.926   1.179
  185   1HB   GLU  26          2HB       GLU  26  -1.323  18.425   0.302
  186   2HB   GLU  26          1HB       GLU  26  -1.768  17.765  -1.262
  187   1HG   GLU  26          2HG       GLU  26  -3.398  19.522  -1.570
  188   2HG   GLU  26          1HG       GLU  26  -3.029  20.173   0.024
  189    H    SER  27           H        SER  27  -3.673  15.683  -1.565
  190    HA   SER  27           HA       SER  27  -5.926  17.035  -2.707
  191   1HB   SER  27          2HB       SER  27  -4.740  14.351  -3.348
  192   2HB   SER  27          1HB       SER  27  -5.831  15.290  -4.366
  193    HG   SER  27           HG       SER  27  -3.154  15.533  -3.901
  194    H    LYS  28           H        LYS  28  -5.460  14.882  -0.172
  195    HA   LYS  28           HA       LYS  28  -6.757  13.648   1.148
  196   1HB   LYS  28          2HB       LYS  28  -8.896  15.180  -0.197
  197   2HB   LYS  28          1HB       LYS  28  -9.219  14.165   1.208
  198   1HG   LYS  28          2HG       LYS  28  -7.576  15.553   2.483
  199   2HG   LYS  28          1HG       LYS  28  -7.441  16.605   1.076
  200   1HD   LYS  28          2HD       LYS  28  -9.829  17.127   1.243
  201   2HD   LYS  28          1HD       LYS  28  -9.964  16.057   2.642
  202   1HE   LYS  28          2HE       LYS  28  -8.299  17.463   3.820
  203   2HE   LYS  28          1HE       LYS  28  -8.271  18.536   2.431
  204   1HZ   LYS  28          1HZ       LYS  28 -10.596  19.047   2.783
  205   2HZ   LYS  28          2HZ       LYS  28  -9.712  19.371   4.169
  206   3HZ   LYS  28          3HZ       LYS  28 -10.671  17.988   4.098
  207    H    THR  29           H        THR  29  -5.969  12.547  -1.314
  208    HA   THR  29           HA       THR  29  -8.173  10.877  -2.169
  209    HB   THR  29           HB       THR  29  -5.306  10.637  -2.957
  210    HG1  THR  29           1HG      THR  29  -7.325  12.472  -3.665
  211   1HG2  THR  29          1HG2      THR  29  -6.752   8.800  -3.647
  212   2HG2  THR  29          2HG2      THR  29  -6.254   9.721  -5.064
  213   3HG2  THR  29          3HG2      THR  29  -7.875   9.934  -4.402
  214    H    LEU  30           H        LEU  30  -8.185   8.720  -1.840
  215    HA   LEU  30           HA       LEU  30  -7.141   7.852   0.641
  216   1HB   LEU  30          2HB       LEU  30  -9.394   7.231  -0.289
  217   2HB   LEU  30          1HB       LEU  30  -8.603   6.246  -1.487
  218    HG   LEU  30           HG       LEU  30  -8.629   5.688   1.500
  219   1HD1  LEU  30          1HD1      LEU  30 -10.198   3.910   0.905
  220   2HD1  LEU  30          2HD1      LEU  30 -10.215   4.498  -0.758
  221   3HD1  LEU  30          3HD1      LEU  30 -10.830   5.515   0.545
  222   1HD2  LEU  30          1HD2      LEU  30  -6.688   4.693   0.304
  223   2HD2  LEU  30          2HD2      LEU  30  -7.832   3.885  -0.786
  224   3HD2  LEU  30          3HD2      LEU  30  -7.814   3.490   0.928
  225    H    VAL  31           H        VAL  31  -5.229   6.609   0.942
  226    HA   VAL  31           HA       VAL  31  -3.917   5.561  -1.430
  227    HB   VAL  31           HB       VAL  31  -2.884   7.694  -0.835
  228   1HG1  VAL  31          1HG1      VAL  31  -3.416   7.831   1.510
  229   2HG1  VAL  31          2HG1      VAL  31  -1.685   8.039   1.263
  230   3HG1  VAL  31          3HG1      VAL  31  -2.310   6.502   1.860
  231   1HG2  VAL  31          1HG2      VAL  31  -0.540   6.966  -0.598
  232   2HG2  VAL  31          2HG2      VAL  31  -1.429   5.994  -1.772
  233   3HG2  VAL  31          3HG2      VAL  31  -1.106   5.355  -0.159
  234    H    VAL  32           H        VAL  32  -2.999   3.591  -1.217
  235    HA   VAL  32           HA       VAL  32  -2.876   2.365   1.451
  236    HB   VAL  32           HB       VAL  32  -3.673   1.025  -1.104
  237   1HG1  VAL  32          1HG1      VAL  32  -4.135  -0.980   0.306
  238   2HG1  VAL  32          2HG1      VAL  32  -3.500  -0.108   1.701
  239   3HG1  VAL  32          3HG1      VAL  32  -2.437  -0.504   0.352
  240   1HG2  VAL  32          1HG2      VAL  32  -5.356   1.654   1.316
  241   2HG2  VAL  32          2HG2      VAL  32  -5.888   0.675  -0.049
  242   3HG2  VAL  32          3HG2      VAL  32  -5.496   2.381  -0.284
  243    H    VAL  33           H        VAL  33  -0.956   1.429   1.906
  244    HA   VAL  33           HA       VAL  33   0.972   1.134  -0.301
  245    HB   VAL  33           HB       VAL  33   1.601   2.213   2.451
  246   1HG1  VAL  33          1HG1      VAL  33   3.327   1.945   0.004
  247   2HG1  VAL  33          2HG1      VAL  33   3.434   0.984   1.479
  248   3HG1  VAL  33          3HG1      VAL  33   3.819   2.701   1.520
  249   1HG2  VAL  33          1HG2      VAL  33   0.330   3.873   1.234
  250   2HG2  VAL  33          2HG2      VAL  33   1.357   3.690  -0.173
  251   3HG2  VAL  33          3HG2      VAL  33   2.014   4.394   1.305
  252    H    ASP  34           H        ASP  34   1.954  -0.974  -0.304
  253    HA   ASP  34           HA       ASP  34   1.665  -2.424   2.109
  254   1HB   ASP  34          2HB       ASP  34   1.980  -4.279   0.765
  255   2HB   ASP  34          1HB       ASP  34   0.690  -3.343   0.025
  256    H    PHE  35           H        PHE  35   3.421  -2.861   3.268
  257    HA   PHE  35           HA       PHE  35   6.032  -2.169   2.220
  258   1HB   PHE  35          2HB       PHE  35   5.035  -2.874   4.984
  259   2HB   PHE  35          1HB       PHE  35   6.694  -2.465   4.587
  260    HD1  PHE  35           1HD      PHE  35   7.323  -0.169   4.112
  261    HD2  PHE  35           2HD      PHE  35   3.294  -1.174   5.050
  262    HE1  PHE  35           1HE      PHE  35   6.816   2.209   4.477
  263    HE2  PHE  35           2HE      PHE  35   2.783   1.202   5.411
  264    HZ   PHE  35           HZ       PHE  35   4.543   2.897   5.125
  265    H    THR  36           H        THR  36   7.194  -3.797   1.396
  266    HA   THR  36           HA       THR  36   6.965  -6.491   2.443
  267    HB   THR  36           HB       THR  36   5.057  -6.276   0.840
  268    HG1  THR  36           1HG      THR  36   5.627  -8.005  -0.496
  269   1HG2  THR  36          1HG2      THR  36   5.510  -5.986  -1.558
  270   2HG2  THR  36          2HG2      THR  36   7.210  -5.682  -1.193
  271   3HG2  THR  36          3HG2      THR  36   5.973  -4.559  -0.627
  272    H    ALA  37           H        ALA  37   8.429  -7.892   0.909
  273    HA   ALA  37           HA       ALA  37  10.589  -6.314  -0.256
  274   1HB   ALA  37          1HB       ALA  37  12.296  -7.771   0.721
  275   2HB   ALA  37          2HB       ALA  37  11.048  -8.636   1.613
  276   3HB   ALA  37          3HB       ALA  37  11.377  -6.942   1.978
  277    H    SER  38           H        SER  38  11.295  -7.087  -2.074
  278    HA   SER  38           HA       SER  38   9.773  -8.906  -3.523
  279   1HB   SER  38          2HB       SER  38  12.576  -7.943  -4.090
  280   2HB   SER  38          1HB       SER  38  11.430  -8.588  -5.269
  281    HG   SER  38           HG       SER  38  11.293  -6.199  -3.758
  282    H    TRP  39           H        TRP  39  12.613  -9.482  -1.524
  283    HA   TRP  39           HA       TRP  39  13.018 -12.110  -2.627
  284   1HB   TRP  39          2HB       TRP  39  14.762 -12.392  -0.823
  285   2HB   TRP  39          1HB       TRP  39  15.029 -11.065  -1.931
  286    HD1  TRP  39           HD       TRP  39  15.679  -8.900  -0.844
  287    HE1  TRP  39           1HE      TRP  39  15.639  -7.878   1.511
  288    HE3  TRP  39           3HE      TRP  39  13.065 -12.552   1.604
  289    HZ2  TRP  39           2HZ      TRP  39  14.625  -8.497   4.044
  290    HZ3  TRP  39           3HZ      TRP  39  12.600 -12.242   4.006
  291    HH2  TRP  39           HH       TRP  39  13.368 -10.258   5.193
  292    H    CYS  40           H        CYS  40  10.755 -10.994  -0.576
  293    HA   CYS  40           HA       CYS  40  10.843 -13.265   1.241
  294   1HB   CYS  40          2HB       CYS  40  10.386 -11.180   2.279
  295   2HB   CYS  40          1HB       CYS  40   9.119 -10.777   1.142
  296    H    GLY  41           H        GLY  41   9.745 -15.062   0.944
  297   1HA   GLY  41          2HA       GLY  41   8.460 -15.730  -1.423
  298   2HA   GLY  41          1HA       GLY  41   8.344 -16.635   0.071
  299    HA   PRO  42           HA       PRO  42   4.066 -15.691   0.582
  300   1HB   PRO  42          2HB       PRO  42   3.874 -14.429   3.040
  301   2HB   PRO  42          1HB       PRO  42   4.001 -16.177   2.823
  302   1HG   PRO  42          2HG       PRO  42   6.141 -14.191   3.473
  303   2HG   PRO  42          1HG       PRO  42   5.882 -15.812   4.145
  304   1HD   PRO  42          2HD       PRO  42   7.759 -15.369   2.296
  305   2HD   PRO  42          1HD       PRO  42   6.794 -16.859   2.276
  306    H    CYS  43           H        CYS  43   6.236 -13.090   1.259
  307    HA   CYS  43           HA       CYS  43   4.393 -10.939   1.088
  308   1HB   CYS  43          2HB       CYS  43   7.339 -10.957   0.541
  309   2HB   CYS  43          1HB       CYS  43   6.379  -9.551   0.976
  310    H    ARG  44           H        ARG  44   6.542 -12.529  -1.275
  311    HA   ARG  44           HA       ARG  44   5.750 -10.718  -3.348
  312   1HB   ARG  44          2HB       ARG  44   7.992 -11.814  -3.337
  313   2HB   ARG  44          1HB       ARG  44   7.208 -13.364  -3.617
  314   1HG   ARG  44          2HG       ARG  44   6.341 -12.548  -5.749
  315   2HG   ARG  44          1HG       ARG  44   7.106 -10.988  -5.466
  316   1HD   ARG  44          2HD       ARG  44   9.301 -12.122  -5.421
  317   2HD   ARG  44          1HD       ARG  44   8.492 -13.642  -5.805
  318    HE   ARG  44           HE       ARG  44   7.800 -11.645  -7.673
  319   1HH1  ARG  44          1HH1      ARG  44  10.440 -13.849  -6.866
  320   2HH1  ARG  44          2HH1      ARG  44  11.118 -13.842  -8.425
  321   1HH2  ARG  44          1HH2      ARG  44   8.697 -11.623  -9.789
  322   2HH2  ARG  44          2HH2      ARG  44  10.087 -12.533 -10.152
  323    H    PHE  45           H        PHE  45   4.747 -13.793  -2.134
  324    HA   PHE  45           HA       PHE  45   3.095 -14.589  -4.293
  325   1HB   PHE  45          2HB       PHE  45   3.836 -16.175  -2.581
  326   2HB   PHE  45          1HB       PHE  45   2.946 -15.294  -1.352
  327    HD1  PHE  45           1HD      PHE  45   0.561 -15.632  -1.055
  328    HD2  PHE  45           2HD      PHE  45   2.645 -17.477  -4.293
  329    HE1  PHE  45           1HE      PHE  45  -1.377 -17.060  -1.484
  330    HE2  PHE  45           2HE      PHE  45   0.689 -18.907  -4.725
  331    HZ   PHE  45           HZ       PHE  45  -1.321 -18.699  -3.323
  332    H    ILE  46           H        ILE  46   2.608 -12.437  -1.591
  333    HA   ILE  46           HA       ILE  46  -0.247 -12.330  -2.067
  334    HB   ILE  46           HB       ILE  46   0.737 -12.236   0.264
  335   1HG1  ILE  46          2HG1      ILE  46  -0.736 -10.401   1.103
  336   2HG1  ILE  46          1HG1      ILE  46  -1.003  -9.914  -0.572
  337   1HG2  ILE  46          1HG2      ILE  46   1.655 -10.148   1.110
  338   2HG2  ILE  46          2HG2      ILE  46   1.575  -9.460  -0.515
  339   3HG2  ILE  46          3HG2      ILE  46   2.644 -10.818  -0.189
  340   1HD1  ILE  46          1HD1      ILE  46  -2.002 -12.076  -1.032
  341   2HD1  ILE  46          2HD1      ILE  46  -2.822 -11.270   0.322
  342   3HD1  ILE  46          3HD1      ILE  46  -1.646 -12.564   0.623
  343    H    ALA  47           H        ALA  47   2.527 -10.825  -3.219
  344    HA   ALA  47           HA       ALA  47   1.711  -8.197  -3.629
  345   1HB   ALA  47          1HB       ALA  47   4.049  -8.934  -3.849
  346   2HB   ALA  47          2HB       ALA  47   3.513  -7.991  -5.243
  347   3HB   ALA  47          3HB       ALA  47   3.635  -9.747  -5.357
  348    HA   PRO  48           HA       PRO  48   0.047  -9.490  -8.085
  349   1HB   PRO  48          2HB       PRO  48  -1.114 -12.013  -8.031
  350   2HB   PRO  48          1HB       PRO  48   0.442 -11.629  -8.771
  351   1HG   PRO  48          2HG       PRO  48  -0.138 -12.786  -6.084
  352   2HG   PRO  48          1HG       PRO  48   1.144 -13.215  -7.232
  353   1HD   PRO  48          2HD       PRO  48   1.660 -11.719  -5.093
  354   2HD   PRO  48          1HD       PRO  48   2.436 -11.376  -6.653
  355    H    PHE  49           H        PHE  49  -1.227 -10.801  -5.089
  356    HA   PHE  49           HA       PHE  49  -3.970 -10.431  -5.759
  357   1HB   PHE  49          2HB       PHE  49  -3.194 -11.985  -3.960
  358   2HB   PHE  49          1HB       PHE  49  -2.721 -10.591  -3.000
  359    HD1  PHE  49           1HD      PHE  49  -5.542 -12.461  -4.387
  360    HD2  PHE  49           2HD      PHE  49  -4.358  -9.293  -1.820
  361    HE1  PHE  49           1HE      PHE  49  -7.814 -12.370  -3.458
  362    HE2  PHE  49           2HE      PHE  49  -6.641  -9.193  -0.886
  363    HZ   PHE  49           HZ       PHE  49  -8.364 -10.749  -1.723
  364    H    PHE  50           H        PHE  50  -1.529  -8.483  -4.195
  365    HA   PHE  50           HA       PHE  50  -3.279  -6.336  -3.534
  366   1HB   PHE  50          2HB       PHE  50  -1.090  -6.775  -2.380
  367   2HB   PHE  50          1HB       PHE  50  -0.260  -6.291  -3.850
  368    HD1  PHE  50           1HD      PHE  50  -2.339  -5.134  -1.051
  369    HD2  PHE  50           2HD      PHE  50  -0.005  -3.991  -4.402
  370    HE1  PHE  50           1HE      PHE  50  -2.372  -2.814  -0.262
  371    HE2  PHE  50           2HE      PHE  50  -0.032  -1.651  -3.625
  372    HZ   PHE  50           HZ       PHE  50  -1.213  -1.062  -1.553
  373    H    ALA  51           H        ALA  51  -1.287  -7.175  -6.273
  374    HA   ALA  51           HA       ALA  51  -1.638  -4.756  -7.733
  375   1HB   ALA  51          1HB       ALA  51  -0.920  -6.046  -9.696
  376   2HB   ALA  51          2HB       ALA  51  -1.134  -7.544  -8.794
  377   3HB   ALA  51          3HB       ALA  51   0.115  -6.394  -8.308
  378    H    ASP  52           H        ASP  52  -3.439  -7.751  -7.519
  379    HA   ASP  52           HA       ASP  52  -5.468  -7.281  -9.410
  380   1HB   ASP  52          2HB       ASP  52  -5.130  -9.424  -8.264
  381   2HB   ASP  52          1HB       ASP  52  -5.586  -8.685  -6.762
  382    H    LEU  53           H        LEU  53  -5.287  -6.648  -5.989
  383    HA   LEU  53           HA       LEU  53  -7.626  -5.305  -5.452
  384   1HB   LEU  53          2HB       LEU  53  -5.455  -5.991  -4.095
  385   2HB   LEU  53          1HB       LEU  53  -5.000  -4.339  -4.410
  386    HG   LEU  53           HG       LEU  53  -7.304  -5.383  -2.943
  387   1HD1  LEU  53          1HD1      LEU  53  -5.240  -5.510  -1.677
  388   2HD1  LEU  53          2HD1      LEU  53  -6.203  -4.214  -0.969
  389   3HD1  LEU  53          3HD1      LEU  53  -4.860  -3.827  -2.038
  390   1HD2  LEU  53          1HD2      LEU  53  -8.056  -3.359  -4.009
  391   2HD2  LEU  53          2HD2      LEU  53  -6.635  -2.483  -3.439
  392   3HD2  LEU  53          3HD2      LEU  53  -7.858  -3.027  -2.287
  393    H    ALA  54           H        ALA  54  -4.547  -3.980  -6.608
  394    HA   ALA  54           HA       ALA  54  -5.299  -1.306  -6.925
  395   1HB   ALA  54          1HB       ALA  54  -3.237  -2.841  -8.504
  396   2HB   ALA  54          2HB       ALA  54  -2.963  -2.070  -6.944
  397   3HB   ALA  54          3HB       ALA  54  -3.337  -1.087  -8.357
  398    H    LYS  55           H        LYS  55  -5.770  -4.063  -8.974
  399    HA   LYS  55           HA       LYS  55  -6.583  -2.535 -11.249
  400   1HB   LYS  55          2HB       LYS  55  -5.648  -4.820 -11.482
  401   2HB   LYS  55          1HB       LYS  55  -7.065  -5.459 -10.662
  402   1HG   LYS  55          2HG       LYS  55  -8.464  -4.504 -12.479
  403   2HG   LYS  55          1HG       LYS  55  -6.981  -4.065 -13.320
  404   1HD   LYS  55          2HD       LYS  55  -6.317  -6.431 -13.327
  405   2HD   LYS  55          1HD       LYS  55  -7.846  -6.845 -12.550
  406   1HE   LYS  55          2HE       LYS  55  -7.462  -5.620 -15.282
  407   2HE   LYS  55          1HE       LYS  55  -8.045  -7.242 -14.921
  408   1HZ   LYS  55          1HZ       LYS  55  -9.898  -5.880 -15.469
  409   2HZ   LYS  55          2HZ       LYS  55  -9.408  -4.664 -14.440
  410   3HZ   LYS  55          3HZ       LYS  55  -9.997  -6.113 -13.793
  411    H    LYS  56           H        LYS  56  -8.114  -4.230  -8.616
  412    HA   LYS  56           HA       LYS  56 -10.762  -4.045  -9.622
  413   1HB   LYS  56          2HB       LYS  56  -9.890  -5.737  -7.982
  414   2HB   LYS  56          1HB       LYS  56  -9.854  -4.467  -6.776
  415   1HG   LYS  56          2HG       LYS  56 -12.268  -4.220  -6.934
  416   2HG   LYS  56          1HG       LYS  56 -12.320  -5.461  -8.192
  417   1HD   LYS  56          2HD       LYS  56 -11.297  -7.053  -6.596
  418   2HD   LYS  56          1HD       LYS  56 -11.397  -5.813  -5.351
  419   1HE   LYS  56          2HE       LYS  56 -13.729  -7.001  -6.844
  420   2HE   LYS  56          1HE       LYS  56 -13.238  -7.431  -5.212
  421   1HZ   LYS  56          1HZ       LYS  56 -15.061  -5.874  -5.207
  422   2HZ   LYS  56          2HZ       LYS  56 -14.181  -4.753  -6.091
  423   3HZ   LYS  56          3HZ       LYS  56 -13.697  -5.160  -4.517
  424    H    LEU  57           H        LEU  57  -8.834  -2.133  -7.312
  425    HA   LEU  57           HA       LEU  57 -10.871  -0.070  -7.467
  426   1HB   LEU  57          2HB       LEU  57  -8.840  -0.668  -5.328
  427   2HB   LEU  57          1HB       LEU  57  -9.707   0.835  -5.422
  428    HG   LEU  57           HG       LEU  57 -11.835  -0.462  -5.091
  429   1HD1  LEU  57          1HD1      LEU  57  -9.983  -2.752  -4.455
  430   2HD1  LEU  57          2HD1      LEU  57 -11.097  -2.656  -5.819
  431   3HD1  LEU  57          3HD1      LEU  57 -11.725  -2.720  -4.172
  432   1HD2  LEU  57          1HD2      LEU  57  -9.752  -0.656  -2.930
  433   2HD2  LEU  57          2HD2      LEU  57 -11.482  -0.833  -2.675
  434   3HD2  LEU  57          3HD2      LEU  57 -10.828   0.707  -3.243
  435    HA   PRO  58           HA       PRO  58  -7.211   1.599  -9.676
  436   1HB   PRO  58          2HB       PRO  58  -8.459   2.565 -11.827
  437   2HB   PRO  58          1HB       PRO  58  -8.167   0.830 -11.657
  438   1HG   PRO  58          2HG       PRO  58 -10.683   2.375 -11.205
  439   2HG   PRO  58          1HG       PRO  58 -10.461   0.780 -11.948
  440   1HD   PRO  58          2HD       PRO  58 -11.248   1.212  -9.301
  441   2HD   PRO  58          1HD       PRO  58 -10.541  -0.286  -9.933
  442    H    ASN  59           H        ASN  59  -9.718   2.868  -8.058
  443    HA   ASN  59           HA       ASN  59  -9.156   5.702  -8.681
  444   1HB   ASN  59          2HB       ASN  59 -11.543   4.889  -8.813
  445   2HB   ASN  59          1HB       ASN  59 -11.431   4.493  -7.105
  446   1HD2  ASN  59          1HD2      ASN  59 -13.133   5.881  -6.588
  447   2HD2  ASN  59          2HD2      ASN  59 -12.950   7.596  -6.596
  448    H    VAL  60           H        VAL  60  -7.725   3.618  -6.988
  449    HA   VAL  60           HA       VAL  60  -7.458   5.210  -4.565
  450    HB   VAL  60           HB       VAL  60  -7.331   2.178  -4.780
  451   1HG1  VAL  60          1HG1      VAL  60  -6.967   2.234  -2.327
  452   2HG1  VAL  60          2HG1      VAL  60  -6.783   3.997  -2.438
  453   3HG1  VAL  60          3HG1      VAL  60  -5.644   2.938  -3.253
  454   1HG2  VAL  60          1HG2      VAL  60  -9.220   2.200  -3.221
  455   2HG2  VAL  60          2HG2      VAL  60  -9.619   3.037  -4.725
  456   3HG2  VAL  60          3HG2      VAL  60  -9.242   3.961  -3.272
  457    H    LEU  61           H        LEU  61  -5.390   5.664  -4.001
  458    HA   LEU  61           HA       LEU  61  -3.397   5.113  -6.033
  459   1HB   LEU  61          2HB       LEU  61  -3.716   7.390  -5.165
  460   2HB   LEU  61          1HB       LEU  61  -3.358   6.835  -3.549
  461    HG   LEU  61           HG       LEU  61  -1.063   6.294  -4.276
  462   1HD1  LEU  61          1HD1      LEU  61  -1.884   7.624  -6.851
  463   2HD1  LEU  61          2HD1      LEU  61  -1.442   5.928  -6.639
  464   3HD1  LEU  61          3HD1      LEU  61  -0.237   7.190  -6.399
  465   1HD2  LEU  61          1HD2      LEU  61  -1.554   8.410  -3.191
  466   2HD2  LEU  61          2HD2      LEU  61  -1.927   9.146  -4.751
  467   3HD2  LEU  61          3HD2      LEU  61  -0.284   8.607  -4.394
  468    H    PHE  62           H        PHE  62  -2.198   3.328  -5.819
  469    HA   PHE  62           HA       PHE  62  -1.634   2.322  -3.113
  470   1HB   PHE  62          2HB       PHE  62  -1.528   0.799  -5.697
  471   2HB   PHE  62          1HB       PHE  62  -1.224   0.158  -4.113
  472    HD1  PHE  62           1HD      PHE  62  -2.987  -0.325  -2.563
  473    HD2  PHE  62           2HD      PHE  62  -3.841   1.259  -6.401
  474    HE1  PHE  62           1HE      PHE  62  -5.346  -0.953  -2.287
  475    HE2  PHE  62           2HE      PHE  62  -6.196   0.640  -6.140
  476    HZ   PHE  62           HZ       PHE  62  -6.957  -0.466  -4.084
  477    H    LEU  63           H        LEU  63   0.375   1.975  -2.537
  478    HA   LEU  63           HA       LEU  63   2.498   2.298  -4.487
  479   1HB   LEU  63          2HB       LEU  63   2.407   3.648  -1.802
  480   2HB   LEU  63          1HB       LEU  63   3.861   3.432  -2.732
  481    HG   LEU  63           HG       LEU  63   2.727   4.787  -4.560
  482   1HD1  LEU  63          1HD1      LEU  63   0.981   6.333  -3.867
  483   2HD1  LEU  63          2HD1      LEU  63   0.859   5.495  -2.317
  484   3HD1  LEU  63          3HD1      LEU  63   0.439   4.656  -3.814
  485   1HD2  LEU  63          1HD2      LEU  63   4.505   5.679  -3.191
  486   2HD2  LEU  63          2HD2      LEU  63   3.347   6.118  -1.932
  487   3HD2  LEU  63          3HD2      LEU  63   3.291   6.917  -3.502
  488    H    LYS  64           H        LYS  64   4.359   1.252  -4.042
  489    HA   LYS  64           HA       LYS  64   4.181  -0.881  -2.004
  490   1HB   LYS  64          2HB       LYS  64   3.896  -1.783  -4.193
  491   2HB   LYS  64          1HB       LYS  64   5.338  -0.951  -4.752
  492   1HG   LYS  64          2HG       LYS  64   6.760  -2.299  -3.487
  493   2HG   LYS  64          1HG       LYS  64   5.431  -2.915  -2.502
  494   1HD   LYS  64          2HD       LYS  64   5.365  -3.261  -5.384
  495   2HD   LYS  64          1HD       LYS  64   6.461  -4.329  -4.454
  496   1HE   LYS  64          2HE       LYS  64   4.283  -5.467  -4.761
  497   2HE   LYS  64          1HE       LYS  64   4.509  -4.964  -3.087
  498   1HZ   LYS  64          1HZ       LYS  64   2.998  -3.168  -3.375
  499   2HZ   LYS  64          2HZ       LYS  64   2.303  -4.577  -3.816
  500   3HZ   LYS  64          3HZ       LYS  64   2.792  -3.505  -5.043
  501    H    VAL  65           H        VAL  65   5.696  -0.900  -0.574
  502    HA   VAL  65           HA       VAL  65   8.185   0.541  -1.154
  503    HB   VAL  65           HB       VAL  65   6.806   0.140   1.525
  504   1HG1  VAL  65          1HG1      VAL  65   9.419   1.530   0.917
  505   2HG1  VAL  65          2HG1      VAL  65   9.236   0.002   1.777
  506   3HG1  VAL  65          3HG1      VAL  65   8.611   1.493   2.484
  507   1HG2  VAL  65          1HG2      VAL  65   5.785   1.874   0.158
  508   2HG2  VAL  65          2HG2      VAL  65   7.356   2.638  -0.069
  509   3HG2  VAL  65          3HG2      VAL  65   6.625   2.584   1.535
  510    H    ASP  66           H        ASP  66   9.810  -0.794  -1.442
  511    HA   ASP  66           HA       ASP  66   9.704  -3.484  -0.374
  512   1HB   ASP  66          2HB       ASP  66  10.600  -2.961  -2.699
  513   2HB   ASP  66          1HB       ASP  66  11.918  -2.144  -1.859
  514    H    THR  67           H        THR  67  10.305  -3.801   1.616
  515    HA   THR  67           HA       THR  67  11.500  -1.739   3.148
  516    HB   THR  67           HB       THR  67  11.344  -3.403   5.025
  517    HG1  THR  67           1HG      THR  67  11.072  -5.415   4.498
  518   1HG2  THR  67          1HG2      THR  67   8.886  -3.437   5.051
  519   2HG2  THR  67          2HG2      THR  67   8.858  -3.042   3.334
  520   3HG2  THR  67          3HG2      THR  67   9.478  -1.871   4.495
  521    H    ASP  68           H        ASP  68  12.886  -4.166   1.287
  522    HA   ASP  68           HA       ASP  68  15.275  -4.445   2.888
  523   1HB   ASP  68          2HB       ASP  68  14.519  -6.234   1.331
  524   2HB   ASP  68          1HB       ASP  68  14.776  -5.124  -0.005
  525    H    GLU  69           H        GLU  69  14.220  -2.838  -0.058
  526    HA   GLU  69           HA       GLU  69  16.544  -1.366  -0.510
  527   1HB   GLU  69          2HB       GLU  69  13.692  -1.080  -1.325
  528   2HB   GLU  69          1HB       GLU  69  14.950   0.000  -1.873
  529   1HG   GLU  69          2HG       GLU  69  16.120  -1.923  -2.877
  530   2HG   GLU  69          1HG       GLU  69  14.812  -2.968  -2.317
  531    H    LEU  70           H        LEU  70  13.322  -0.326   0.775
  532    HA   LEU  70           HA       LEU  70  14.592   2.030   1.735
  533   1HB   LEU  70          2HB       LEU  70  11.749   1.233   1.312
  534   2HB   LEU  70          1HB       LEU  70  12.262   2.735   2.033
  535    HG   LEU  70           HG       LEU  70  12.845   1.842  -0.796
  536   1HD1  LEU  70          1HD1      LEU  70  10.518   2.445  -0.518
  537   2HD1  LEU  70          2HD1      LEU  70  11.364   3.678  -1.445
  538   3HD1  LEU  70          3HD1      LEU  70  10.983   3.962   0.252
  539   1HD2  LEU  70          1HD2      LEU  70  13.717   4.103  -1.118
  540   2HD2  LEU  70          2HD2      LEU  70  14.655   3.216   0.078
  541   3HD2  LEU  70          3HD2      LEU  70  13.489   4.438   0.596
  542    H    LYS  71           H        LYS  71  15.609   0.859   3.444
  543    HA   LYS  71           HA       LYS  71  14.065  -0.408   5.466
  544   1HB   LYS  71          2HB       LYS  71  16.889   0.648   5.627
  545   2HB   LYS  71          1HB       LYS  71  16.119  -0.359   6.840
  546   1HG   LYS  71          2HG       LYS  71  15.872  -2.141   5.122
  547   2HG   LYS  71          1HG       LYS  71  16.791  -1.134   4.007
  548   1HD   LYS  71          2HD       LYS  71  18.681  -1.138   5.586
  549   2HD   LYS  71          1HD       LYS  71  17.749  -2.159   6.676
  550   1HE   LYS  71          2HE       LYS  71  19.290  -3.542   5.436
  551   2HE   LYS  71          1HE       LYS  71  17.650  -3.892   4.914
  552   1HZ   LYS  71          1HZ       LYS  71  18.005  -2.517   2.954
  553   2HZ   LYS  71          2HZ       LYS  71  19.188  -3.714   3.050
  554   3HZ   LYS  71          3HZ       LYS  71  19.557  -2.129   3.488
  555    H    SER  72           H        SER  72  15.356   2.854   5.052
  556    HA   SER  72           HA       SER  72  14.832   3.798   7.635
  557   1HB   SER  72          2HB       SER  72  14.791   5.422   5.111
  558   2HB   SER  72          1HB       SER  72  15.203   5.954   6.731
  559    HG   SER  72           HG       SER  72  17.053   4.679   6.674
  560    H    VAL  73           H        VAL  73  12.935   3.886   4.651
  561    HA   VAL  73           HA       VAL  73  10.751   5.341   5.637
  562    HB   VAL  73           HB       VAL  73  10.766   3.221   3.458
  563   1HG1  VAL  73          1HG1      VAL  73   8.722   5.364   4.037
  564   2HG1  VAL  73          2HG1      VAL  73   8.496   3.633   4.266
  565   3HG1  VAL  73          3HG1      VAL  73   8.715   4.290   2.641
  566   1HG2  VAL  73          1HG2      VAL  73  11.012   6.221   3.312
  567   2HG2  VAL  73          2HG2      VAL  73  10.879   5.151   1.927
  568   3HG2  VAL  73          3HG2      VAL  73  12.292   5.056   2.981
  569    H    ALA  74           H        ALA  74  11.368   1.874   5.579
  570    HA   ALA  74           HA       ALA  74   8.923   1.052   6.677
  571   1HB   ALA  74          1HB       ALA  74  10.516  -0.467   5.585
  572   2HB   ALA  74          2HB       ALA  74  10.041  -1.039   7.184
  573   3HB   ALA  74          3HB       ALA  74  11.616  -0.272   6.951
  574    H    SER  75           H        SER  75  12.011   1.907   8.225
  575    HA   SER  75           HA       SER  75  11.078   1.341  10.821
  576   1HB   SER  75          2HB       SER  75  13.135   2.570  11.584
  577   2HB   SER  75          1HB       SER  75  13.444   1.266  10.440
  578    HG   SER  75           HG       SER  75  13.042   3.663   9.172
  579    H    ASP  76           H        ASP  76  10.820   4.168   8.814
  580    HA   ASP  76           HA       ASP  76  10.336   6.080  10.828
  581   1HB   ASP  76          2HB       ASP  76  10.837   6.650   8.466
  582   2HB   ASP  76          1HB       ASP  76   9.266   6.020   7.995
  583    H    TRP  77           H        TRP  77   8.226   3.831   9.126
  584    HA   TRP  77           HA       TRP  77   5.964   4.796  10.621
  585   1HB   TRP  77          2HB       TRP  77   6.165   2.756   8.454
  586   2HB   TRP  77          1HB       TRP  77   4.639   3.203   9.222
  587    HD1  TRP  77           HD       TRP  77   7.021   4.212   6.525
  588    HE1  TRP  77           1HE      TRP  77   6.199   6.345   5.382
  589    HE3  TRP  77           3HE      TRP  77   3.323   5.526   9.796
  590    HZ2  TRP  77           2HZ      TRP  77   4.253   8.328   5.784
  591    HZ3  TRP  77           3HZ      TRP  77   2.025   7.576   9.331
  592    HH2  TRP  77           HH       TRP  77   2.482   8.937   7.372
  593    H    ALA  78           H        ALA  78   8.380   2.916  11.379
  594    HA   ALA  78           HA       ALA  78   8.830   1.350  12.938
  595   1HB   ALA  78          1HB       ALA  78   7.216   0.967  14.734
  596   2HB   ALA  78          2HB       ALA  78   5.952   1.740  13.776
  597   3HB   ALA  78          3HB       ALA  78   7.327   2.685  14.348
  598    H    ILE  79           H        ILE  79   7.692   0.597  10.304
  599    HA   ILE  79           HA       ILE  79   6.127  -1.769  10.711
  600    HB   ILE  79           HB       ILE  79   7.674  -0.866   8.257
  601   1HG1  ILE  79          2HG1      ILE  79   5.957   0.751   8.900
  602   2HG1  ILE  79          1HG1      ILE  79   5.511  -0.056   7.403
  603   1HG2  ILE  79          1HG2      ILE  79   7.226  -3.254   8.172
  604   2HG2  ILE  79          2HG2      ILE  79   6.229  -2.403   6.994
  605   3HG2  ILE  79          3HG2      ILE  79   5.521  -2.962   8.509
  606   1HD1  ILE  79          1HD1      ILE  79   3.585   0.222   8.842
  607   2HD1  ILE  79          2HD1      ILE  79   4.405  -0.621  10.152
  608   3HD1  ILE  79          3HD1      ILE  79   3.972  -1.490   8.678
  609    H    GLN  80           H        GLN  80   7.075  -3.262  11.907
  610    HA   GLN  80           HA       GLN  80   9.866  -3.960  11.454
  611   1HB   GLN  80          2HB       GLN  80   7.934  -4.855  13.586
  612   2HB   GLN  80          1HB       GLN  80   9.653  -5.200  13.531
  613   1HG   GLN  80          2HG       GLN  80  10.119  -2.793  13.752
  614   2HG   GLN  80          1HG       GLN  80   8.387  -2.495  13.848
  615   1HE2  GLN  80          1HE2      GLN  80  11.132  -3.795  15.447
  616   2HE2  GLN  80          2HE2      GLN  80  10.451  -3.895  17.023
  617    H    ALA  81           H        ALA  81   6.613  -5.231  11.384
  618    HA   ALA  81           HA       ALA  81   7.563  -7.849  10.637
  619   1HB   ALA  81          1HB       ALA  81   5.720  -7.662  12.208
  620   2HB   ALA  81          2HB       ALA  81   5.208  -8.489  10.733
  621   3HB   ALA  81          3HB       ALA  81   4.782  -6.795  10.999
  622    H    MET  82           H        MET  82   7.061  -8.853   8.711
  623    HA   MET  82           HA       MET  82   6.177  -7.127   6.543
  624   1HB   MET  82          2HB       MET  82   8.475  -9.054   6.574
  625   2HB   MET  82          1HB       MET  82   7.844  -8.276   5.154
  626   1HG   MET  82          2HG       MET  82   8.569  -6.136   5.837
  627   2HG   MET  82          1HG       MET  82   8.887  -6.692   7.480
  628   1HE   MET  82          1HE       MET  82   9.906  -7.331   3.723
  629   2HE   MET  82          2HE       MET  82   9.788  -8.937   4.452
  630   3HE   MET  82          3HE       MET  82  11.354  -8.309   3.952
  631    HA   PRO  83           HA       PRO  83   5.459  -7.246   4.806
  632   1HB   PRO  83          2HB       PRO  83   3.348  -7.523   3.173
  633   2HB   PRO  83          1HB       PRO  83   4.881  -8.333   2.838
  634   1HG   PRO  83          2HG       PRO  83   2.356  -9.458   3.940
  635   2HG   PRO  83          1HG       PRO  83   3.546 -10.212   2.871
  636   1HD   PRO  83          2HD       PRO  83   3.353 -10.565   5.657
  637   2HD   PRO  83          1HD       PRO  83   4.716 -11.041   4.631
  638    H    THR  84           H        THR  84   4.082  -5.375   5.058
  639    HA   THR  84           HA       THR  84   1.714  -5.793   6.708
  640    HB   THR  84           HB       THR  84   3.730  -3.654   6.977
  641    HG1  THR  84           1HG      THR  84   4.591  -5.230   8.266
  642   1HG2  THR  84          1HG2      THR  84   1.527  -2.748   7.459
  643   2HG2  THR  84          2HG2      THR  84   2.410  -2.905   8.982
  644   3HG2  THR  84          3HG2      THR  84   1.183  -4.092   8.547
  645    H    PHE  85           H        PHE  85  -0.073  -4.840   5.908
  646    HA   PHE  85           HA       PHE  85   0.254  -3.120   3.581
  647   1HB   PHE  85          2HB       PHE  85  -2.087  -4.698   4.633
  648   2HB   PHE  85          1HB       PHE  85  -2.057  -3.745   3.163
  649    HD1  PHE  85           1HD      PHE  85  -0.986  -6.839   4.769
  650    HD2  PHE  85           2HD      PHE  85  -0.852  -4.516   1.213
  651    HE1  PHE  85           1HE      PHE  85  -0.169  -8.793   3.531
  652    HE2  PHE  85           2HE      PHE  85  -0.034  -6.466  -0.034
  653    HZ   PHE  85           HZ       PHE  85   0.306  -8.600   1.119
  654    H    MET  86           H        MET  86  -0.140  -1.031   3.915
  655    HA   MET  86           HA       MET  86  -1.585  -0.289   6.350
  656   1HB   MET  86          2HB       MET  86   0.747   0.334   6.241
  657   2HB   MET  86          1HB       MET  86   0.465   1.179   4.722
  658   1HG   MET  86          2HG       MET  86  -0.978   2.753   5.919
  659   2HG   MET  86          1HG       MET  86  -0.637   1.922   7.430
  660   1HE   MET  86          1HE       MET  86   0.210   4.157   8.524
  661   2HE   MET  86          2HE       MET  86  -0.134   5.010   7.019
  662   3HE   MET  86          3HE       MET  86   1.434   5.202   7.803
  663    H    PHE  87           H        PHE  87  -3.501   0.575   6.069
  664    HA   PHE  87           HA       PHE  87  -4.318   1.530   3.461
  665   1HB   PHE  87          2HB       PHE  87  -5.727   0.359   5.821
  666   2HB   PHE  87          1HB       PHE  87  -6.564   1.136   4.516
  667    HD1  PHE  87           1HD      PHE  87  -6.992  -0.034   2.483
  668    HD2  PHE  87           2HD      PHE  87  -4.387  -1.726   5.386
  669    HE1  PHE  87           1HE      PHE  87  -7.012  -2.163   1.250
  670    HE2  PHE  87           2HE      PHE  87  -4.400  -3.859   4.156
  671    HZ   PHE  87           HZ       PHE  87  -5.717  -4.074   2.084
  672    H    LEU  88           H        LEU  88  -4.421   3.698   3.381
  673    HA   LEU  88           HA       LEU  88  -5.140   5.023   5.852
  674   1HB   LEU  88          2HB       LEU  88  -3.587   6.233   3.539
  675   2HB   LEU  88          1HB       LEU  88  -3.975   7.032   5.033
  676    HG   LEU  88           HG       LEU  88  -2.439   5.302   6.161
  677   1HD1  LEU  88          1HD1      LEU  88  -2.299   3.689   4.373
  678   2HD1  LEU  88          2HD1      LEU  88  -0.692   4.357   4.715
  679   3HD1  LEU  88          3HD1      LEU  88  -1.590   4.897   3.304
  680   1HD2  LEU  88          1HD2      LEU  88  -0.430   6.591   5.600
  681   2HD2  LEU  88          2HD2      LEU  88  -1.826   7.633   5.867
  682   3HD2  LEU  88          3HD2      LEU  88  -1.277   7.297   4.226
  683    H    LYS  89           H        LYS  89  -6.419   7.018   5.399
  684    HA   LYS  89           HA       LYS  89  -7.660   7.076   2.756
  685   1HB   LYS  89          2HB       LYS  89  -9.218   5.979   4.349
  686   2HB   LYS  89          1HB       LYS  89  -9.130   7.424   5.352
  687   1HG   LYS  89          2HG       LYS  89 -10.111   8.735   3.540
  688   2HG   LYS  89          1HG       LYS  89 -10.224   7.281   2.547
  689   1HD   LYS  89          2HD       LYS  89 -11.686   6.282   4.257
  690   2HD   LYS  89          1HD       LYS  89 -11.594   7.772   5.187
  691   1HE   LYS  89          2HE       LYS  89 -13.663   7.767   3.914
  692   2HE   LYS  89          1HE       LYS  89 -12.568   8.991   3.276
  693   1HZ   LYS  89          1HZ       LYS  89 -12.007   7.522   1.449
  694   2HZ   LYS  89          2HZ       LYS  89 -13.675   7.693   1.549
  695   3HZ   LYS  89          3HZ       LYS  89 -12.954   6.299   2.125
  696    H    GLU  90           H        GLU  90  -7.431   8.969   1.894
  697    HA   GLU  90           HA       GLU  90  -7.091  11.059   1.538
  698   1HB   GLU  90          2HB       GLU  90  -7.979  11.488   4.370
  699   2HB   GLU  90          1HB       GLU  90  -7.820  12.794   3.203
  700   1HG   GLU  90          2HG       GLU  90  -9.590  11.844   1.867
  701   2HG   GLU  90          1HG       GLU  90  -9.713  10.456   2.940
  702    H    GLY  91           H        GLY  91  -5.131   9.289   2.935
  703   1HA   GLY  91          2HA       GLY  91  -2.831   9.558   3.300
  704   2HA   GLY  91          1HA       GLY  91  -3.105  11.264   3.619
  705    H    LYS  92           H        LYS  92  -5.427   9.780   5.389
  706    HA   LYS  92           HA       LYS  92  -3.768   9.840   7.799
  707   1HB   LYS  92          2HB       LYS  92  -6.792   9.916   7.496
  708   2HB   LYS  92          1HB       LYS  92  -5.972   9.839   9.041
  709   1HG   LYS  92          2HG       LYS  92  -6.670  12.096   8.645
  710   2HG   LYS  92          1HG       LYS  92  -4.917  12.039   8.527
  711   1HD   LYS  92          2HD       LYS  92  -5.150  11.925   6.051
  712   2HD   LYS  92          1HD       LYS  92  -6.889  12.113   6.245
  713   1HE   LYS  92          2HE       LYS  92  -6.537  14.266   7.332
  714   2HE   LYS  92          1HE       LYS  92  -4.792  14.077   7.140
  715   1HZ   LYS  92          1HZ       LYS  92  -5.146  14.016   4.712
  716   2HZ   LYS  92          2HZ       LYS  92  -5.679  15.459   5.408
  717   3HZ   LYS  92          3HZ       LYS  92  -6.794  14.291   4.968
  718    H    ILE  93           H        ILE  93  -3.501   8.135   9.072
  719    HA   ILE  93           HA       ILE  93  -3.640   5.534   7.957
  720    HB   ILE  93           HB       ILE  93  -3.250   6.318  10.855
  721   1HG1  ILE  93          2HG1      ILE  93  -1.178   5.876   8.697
  722   2HG1  ILE  93          1HG1      ILE  93  -1.636   7.443   9.335
  723   1HG2  ILE  93          1HG2      ILE  93  -2.058   4.164  11.041
  724   2HG2  ILE  93          2HG2      ILE  93  -2.477   3.800   9.367
  725   3HG2  ILE  93          3HG2      ILE  93  -3.748   3.945  10.581
  726   1HD1  ILE  93          1HD1      ILE  93   0.449   6.684  10.315
  727   2HD1  ILE  93          2HD1      ILE  93  -0.331   5.208  10.880
  728   3HD1  ILE  93          3HD1      ILE  93  -0.805   6.767  11.551
  729    H    LEU  94           H        LEU  94  -5.376   4.140   7.923
  730    HA   LEU  94           HA       LEU  94  -7.352   4.463  10.039
  731   1HB   LEU  94          2HB       LEU  94  -7.627   3.626   7.213
  732   2HB   LEU  94          1HB       LEU  94  -8.857   3.217   8.368
  733    HG   LEU  94           HG       LEU  94  -8.045   5.938   7.336
  734   1HD1  LEU  94          1HD1      LEU  94  -9.596   4.647   5.983
  735   2HD1  LEU  94          2HD1      LEU  94 -10.383   6.061   6.685
  736   3HD1  LEU  94          3HD1      LEU  94 -10.665   4.466   7.374
  737   1HD2  LEU  94          1HD2      LEU  94  -8.362   6.185   9.748
  738   2HD2  LEU  94          2HD2      LEU  94  -9.904   5.340   9.641
  739   3HD2  LEU  94          3HD2      LEU  94  -9.705   6.910   8.861
  740    H    ASP  95           H        ASP  95  -5.991   2.034   7.826
  741    HA   ASP  95           HA       ASP  95  -6.215   0.131  10.036
  742   1HB   ASP  95          2HB       ASP  95  -7.061  -0.441   7.206
  743   2HB   ASP  95          1HB       ASP  95  -6.932  -1.592   8.496
  744    H    LYS  96           H        LYS  96  -4.880  -1.657   9.798
  745    HA   LYS  96           HA       LYS  96  -3.047  -1.746   7.615
  746   1HB   LYS  96          2HB       LYS  96  -1.005  -1.764   9.014
  747   2HB   LYS  96          1HB       LYS  96  -1.823  -0.214   9.065
  748   1HG   LYS  96          2HG       LYS  96  -2.717  -0.731  11.254
  749   2HG   LYS  96          1HG       LYS  96  -1.990  -2.338  11.181
  750   1HD   LYS  96          2HD       LYS  96   0.243  -1.279  11.017
  751   2HD   LYS  96          1HD       LYS  96  -0.524   0.299  11.194
  752   1HE   LYS  96          2HE       LYS  96   0.387  -0.490  13.323
  753   2HE   LYS  96          1HE       LYS  96  -1.368  -0.338  13.389
  754   1HZ   LYS  96          1HZ       LYS  96  -0.594  -2.378  14.421
  755   2HZ   LYS  96          2HZ       LYS  96   0.094  -2.904  12.963
  756   3HZ   LYS  96          3HZ       LYS  96  -1.570  -2.710  13.101
  757    H    VAL  97           H        VAL  97  -2.221  -3.733   7.292
  758    HA   VAL  97           HA       VAL  97  -3.278  -5.849   9.047
  759    HB   VAL  97           HB       VAL  97  -2.698  -6.014   6.068
  760   1HG1  VAL  97          1HG1      VAL  97  -2.366  -8.149   7.181
  761   2HG1  VAL  97          2HG1      VAL  97  -3.802  -8.200   6.159
  762   3HG1  VAL  97          3HG1      VAL  97  -3.969  -8.032   7.907
  763   1HG2  VAL  97          1HG2      VAL  97  -5.356  -5.924   7.492
  764   2HG2  VAL  97          2HG2      VAL  97  -5.124  -6.160   5.761
  765   3HG2  VAL  97          3HG2      VAL  97  -4.666  -4.633   6.511
  766    H    VAL  98           H        VAL  98  -1.727  -6.900  10.079
  767    HA   VAL  98           HA       VAL  98   0.974  -6.695   9.053
  768    HB   VAL  98           HB       VAL  98   0.699  -5.854  11.318
  769   1HG1  VAL  98          1HG1      VAL  98   0.113  -7.302  13.206
  770   2HG1  VAL  98          2HG1      VAL  98  -0.291  -8.593  12.075
  771   3HG1  VAL  98          3HG1      VAL  98  -1.219  -7.091  12.071
  772   1HG2  VAL  98          1HG2      VAL  98   2.195  -8.460  11.289
  773   2HG2  VAL  98          2HG2      VAL  98   2.405  -7.166  12.473
  774   3HG2  VAL  98          3HG2      VAL  98   2.799  -6.889  10.774
  775    H    GLY  99           H        GLY  99   1.744  -8.308   7.950
  776   1HA   GLY  99          2HA       GLY  99   2.506 -10.552   7.823
  777   2HA   GLY  99          1HA       GLY  99   1.091 -11.046   8.755
  778    H    ALA 100           H        ALA 100   1.921 -12.121   6.180
  779    HA   ALA 100           HA       ALA 100   0.157 -10.946   4.239
  780   1HB   ALA 100          1HB       ALA 100   1.562 -13.627   4.207
  781   2HB   ALA 100          2HB       ALA 100   2.190 -12.133   3.515
  782   3HB   ALA 100          3HB       ALA 100   0.745 -12.882   2.833
  783    H    LYS 101           H        LYS 101  -1.917 -11.049   4.576
  784    HA   LYS 101           HA       LYS 101  -3.128 -13.535   5.505
  785   1HB   LYS 101          2HB       LYS 101  -3.769 -10.674   6.130
  786   2HB   LYS 101          1HB       LYS 101  -4.861 -11.990   6.489
  787   1HG   LYS 101          2HG       LYS 101  -3.162 -12.943   8.030
  788   2HG   LYS 101          1HG       LYS 101  -2.098 -11.589   7.631
  789   1HD   LYS 101          2HD       LYS 101  -3.608 -10.104   8.492
  790   2HD   LYS 101          1HD       LYS 101  -4.801 -11.387   8.738
  791   1HE   LYS 101          2HE       LYS 101  -3.300 -12.452  10.360
  792   2HE   LYS 101          1HE       LYS 101  -2.119 -11.168  10.086
  793   1HZ   LYS 101          1HZ       LYS 101  -3.482 -10.846  12.115
  794   2HZ   LYS 101          2HZ       LYS 101  -4.862 -10.628  11.126
  795   3HZ   LYS 101          3HZ       LYS 101  -3.578  -9.588  11.015
  796    H    LYS 102           H        LYS 102  -4.231 -14.360   3.804
  797    HA   LYS 102           HA       LYS 102  -4.951 -12.841   1.556
  798   1HB   LYS 102          2HB       LYS 102  -4.484 -15.239   1.496
  799   2HB   LYS 102          1HB       LYS 102  -5.896 -15.522   2.505
  800   1HG   LYS 102          2HG       LYS 102  -7.328 -14.653   0.759
  801   2HG   LYS 102          1HG       LYS 102  -5.900 -14.364  -0.243
  802   1HD   LYS 102          2HD       LYS 102  -6.898 -16.415  -1.024
  803   2HD   LYS 102          1HD       LYS 102  -5.441 -16.843  -0.143
  804   1HE   LYS 102          2HE       LYS 102  -8.270 -17.009   0.949
  805   2HE   LYS 102          1HE       LYS 102  -7.360 -18.360   0.302
  806   1HZ   LYS 102          1HZ       LYS 102  -5.714 -17.905   2.187
  807   2HZ   LYS 102          2HZ       LYS 102  -7.196 -18.523   2.561
  808   3HZ   LYS 102          3HZ       LYS 102  -6.927 -16.934   2.898
  809    H    ASP 103           H        ASP 103  -6.795 -14.250   4.228
  810    HA   ASP 103           HA       ASP 103  -9.324 -13.416   3.241
  811   1HB   ASP 103          2HB       ASP 103  -8.544 -14.610   5.893
  812   2HB   ASP 103          1HB       ASP 103 -10.193 -14.407   5.315
  813    H    GLU 104           H        GLU 104  -7.349 -12.403   6.011
  814    HA   GLU 104           HA       GLU 104  -9.239 -10.520   6.968
  815   1HB   GLU 104          2HB       GLU 104  -7.369 -11.452   8.342
  816   2HB   GLU 104          1HB       GLU 104  -6.254 -10.474   7.398
  817   1HG   GLU 104          2HG       GLU 104  -7.440  -8.445   8.153
  818   2HG   GLU 104          1HG       GLU 104  -8.463  -9.454   9.167
  819    H    LEU 105           H        LEU 105  -6.656 -10.298   4.637
  820    HA   LEU 105           HA       LEU 105  -6.449  -7.522   4.423
  821   1HB   LEU 105          2HB       LEU 105  -5.011  -9.256   3.314
  822   2HB   LEU 105          1HB       LEU 105  -6.308  -9.524   2.202
  823    HG   LEU 105           HG       LEU 105  -6.181  -7.265   1.363
  824   1HD1  LEU 105          1HD1      LEU 105  -4.275  -5.814   1.987
  825   2HD1  LEU 105          2HD1      LEU 105  -3.827  -6.970   3.241
  826   3HD1  LEU 105          3HD1      LEU 105  -5.364  -6.108   3.341
  827   1HD2  LEU 105          1HD2      LEU 105  -4.865  -9.003   0.276
  828   2HD2  LEU 105          2HD2      LEU 105  -3.509  -8.666   1.353
  829   3HD2  LEU 105          3HD2      LEU 105  -4.036  -7.450   0.190
  830    H    GLN 106           H        GLN 106  -8.371  -9.821   2.684
  831    HA   GLN 106           HA       GLN 106  -9.898  -8.075   1.100
  832   1HB   GLN 106          2HB       GLN 106 -10.676 -10.760   2.206
  833   2HB   GLN 106          1HB       GLN 106 -11.583  -9.890   0.977
  834   1HG   GLN 106          2HG       GLN 106  -9.692  -9.952  -0.495
  835   2HG   GLN 106          1HG       GLN 106  -8.732 -10.782   0.729
  836   1HE2  GLN 106          1HE2      GLN 106  -9.166 -12.899   1.180
  837   2HE2  GLN 106          2HE2      GLN 106 -10.104 -13.911   0.134
  838    H    SER 107           H        SER 107 -10.451  -9.128   4.388
  839    HA   SER 107           HA       SER 107 -13.032  -7.929   4.563
  840   1HB   SER 107          2HB       SER 107 -11.091  -8.648   6.775
  841   2HB   SER 107          1HB       SER 107 -12.818  -8.324   6.978
  842    HG   SER 107           HG       SER 107 -12.390 -10.187   5.053
  843    H    THR 108           H        THR 108  -9.790  -6.817   5.048
  844    HA   THR 108           HA       THR 108 -10.509  -4.307   6.186
  845    HB   THR 108           HB       THR 108  -7.949  -5.118   4.759
  846    HG1  THR 108           1HG      THR 108  -8.547  -6.436   6.635
  847   1HG2  THR 108          1HG2      THR 108  -8.207  -2.685   5.055
  848   2HG2  THR 108          2HG2      THR 108  -6.926  -3.319   6.086
  849   3HG2  THR 108          3HG2      THR 108  -8.499  -2.926   6.778
  850    H    ILE 109           H        ILE 109  -9.841  -5.555   2.945
  851    HA   ILE 109           HA       ILE 109  -9.893  -3.134   1.519
  852    HB   ILE 109           HB       ILE 109 -10.812  -5.858   0.535
  853   1HG1  ILE 109          2HG1      ILE 109  -8.078  -4.576   0.302
  854   2HG1  ILE 109          1HG1      ILE 109  -8.484  -5.863   1.430
  855   1HG2  ILE 109          1HG2      ILE 109 -10.264  -4.965  -1.700
  856   2HG2  ILE 109          2HG2      ILE 109  -9.884  -3.405  -0.960
  857   3HG2  ILE 109          3HG2      ILE 109 -11.531  -4.024  -0.903
  858   1HD1  ILE 109          1HD1      ILE 109  -8.588  -6.055  -1.568
  859   2HD1  ILE 109          2HD1      ILE 109  -8.953  -7.363  -0.453
  860   3HD1  ILE 109          3HD1      ILE 109  -7.316  -6.706  -0.542
  861    H    ALA 110           H        ALA 110 -12.449  -5.502   2.229
  862    HA   ALA 110           HA       ALA 110 -14.516  -4.104   0.936
  863   1HB   ALA 110          1HB       ALA 110 -14.731  -6.080   3.203
  864   2HB   ALA 110          2HB       ALA 110 -14.651  -6.491   1.490
  865   3HB   ALA 110          3HB       ALA 110 -16.033  -5.594   2.123
  866    H    LYS 111           H        LYS 111 -13.223  -3.837   4.124
  867    HA   LYS 111           HA       LYS 111 -15.178  -2.258   5.371
  868   1HB   LYS 111          2HB       LYS 111 -13.132  -3.313   6.378
  869   2HB   LYS 111          1HB       LYS 111 -12.263  -2.072   5.540
  870   1HG   LYS 111          2HG       LYS 111 -13.192  -0.308   6.829
  871   2HG   LYS 111          1HG       LYS 111 -14.322  -1.411   7.622
  872   1HD   LYS 111          2HD       LYS 111 -12.479  -2.576   8.690
  873   2HD   LYS 111          1HD       LYS 111 -11.318  -1.559   7.837
  874   1HE   LYS 111          2HE       LYS 111 -11.646  -0.850  10.165
  875   2HE   LYS 111          1HE       LYS 111 -12.118   0.397   9.020
  876   1HZ   LYS 111          1HZ       LYS 111 -14.010  -1.443  10.388
  877   2HZ   LYS 111          2HZ       LYS 111 -14.428  -0.125   9.410
  878   3HZ   LYS 111          3HZ       LYS 111 -13.661   0.123  10.874
  879    H    HIS 112           H        HIS 112 -12.406  -1.477   3.414
  880    HA   HIS 112           HA       HIS 112 -12.885   1.328   3.472
  881   1HB   HIS 112          2HB       HIS 112 -10.920  -0.396   2.025
  882   2HB   HIS 112          1HB       HIS 112 -11.063   1.321   1.690
  883    HD1  HIS 112           1HD      HIS 112  -9.956   2.883   3.313
  884    HD2  HIS 112           2HD      HIS 112 -10.040  -1.016   4.676
  885    HE1  HIS 112           1HE      HIS 112  -8.463   2.855   5.327
  886    HE2  HIS 112           2HE      HIS 112  -9.084   0.672   6.358
  887    H    LEU 113           H        LEU 113 -13.550  -1.297   1.072
  888    HA   LEU 113           HA       LEU 113 -14.265   0.484  -0.932
  889   1HB   LEU 113          2HB       LEU 113 -13.373  -1.829  -1.111
  890   2HB   LEU 113          1HB       LEU 113 -14.893  -2.368  -0.453
  891    HG   LEU 113           HG       LEU 113 -14.483  -2.670  -2.817
  892   1HD1  LEU 113          1HD1      LEU 113 -16.816  -2.021  -3.574
  893   2HD1  LEU 113          2HD1      LEU 113 -16.957  -1.051  -2.107
  894   3HD1  LEU 113          3HD1      LEU 113 -16.794  -2.800  -1.990
  895   1HD2  LEU 113          1HD2      LEU 113 -13.447  -0.637  -3.453
  896   2HD2  LEU 113          2HD2      LEU 113 -14.863   0.297  -2.978
  897   3HD2  LEU 113          3HD2      LEU 113 -14.943  -0.765  -4.380
  898    H    ALA 114           H        ALA 114 -15.790   1.890  -0.299
  899    HA   ALA 114           HA       ALA 114 -18.495   1.169  -0.376
  900   1HB   ALA 114          1HB       ALA 114 -19.148   1.868   1.916
  901   2HB   ALA 114          2HB       ALA 114 -17.445   2.002   2.353
  902   3HB   ALA 114          3HB       ALA 114 -18.125   0.431   1.949
  Start of MODEL    5
    1    H    MET   1           H        MET   1 -12.397  12.632 -16.773
    2    HA   MET   1           HA       MET   1  -9.556  13.123 -16.576
    3   1HB   MET   1          2HB       MET   1 -11.621  12.511 -14.426
    4   2HB   MET   1          1HB       MET   1  -9.919  12.791 -14.111
    5   1HG   MET   1          2HG       MET   1 -11.189  14.766 -13.591
    6   2HG   MET   1          1HG       MET   1 -10.141  15.078 -14.969
    7   1HE   MET   1          1HE       MET   1 -13.260  17.358 -15.629
    8   2HE   MET   1          2HE       MET   1 -11.506  17.301 -15.442
    9   3HE   MET   1          3HE       MET   1 -12.552  16.959 -14.064
   10    H    ALA   2           H        ALA   2  -8.083  11.548 -16.517
   11    HA   ALA   2           HA       ALA   2  -9.105   8.821 -16.185
   12   1HB   ALA   2          1HB       ALA   2  -8.801   9.301 -18.560
   13   2HB   ALA   2          2HB       ALA   2  -7.665   8.074 -17.994
   14   3HB   ALA   2          3HB       ALA   2  -7.118   9.726 -18.254
   15    H    SER   3           H        SER   3  -8.001   7.591 -14.890
   16    HA   SER   3           HA       SER   3  -5.231   8.231 -14.282
   17   1HB   SER   3          2HB       SER   3  -5.681   7.427 -11.919
   18   2HB   SER   3          1HB       SER   3  -6.492   8.937 -12.316
   19    HG   SER   3           HG       SER   3  -8.206   7.171 -12.985
   20    H    GLU   4           H        GLU   4  -3.874   6.360 -13.999
   21    HA   GLU   4           HA       GLU   4  -4.779   4.216 -15.544
   22   1HB   GLU   4          2HB       GLU   4  -2.217   4.845 -14.126
   23   2HB   GLU   4          1HB       GLU   4  -2.471   3.316 -14.934
   24   1HG   GLU   4          2HG       GLU   4  -1.215   4.867 -16.352
   25   2HG   GLU   4          1HG       GLU   4  -2.765   4.478 -17.073
   26    H    GLU   5           H        GLU   5  -5.270   2.213 -15.016
   27    HA   GLU   5           HA       GLU   5  -5.817   1.700 -12.194
   28   1HB   GLU   5          2HB       GLU   5  -7.409  -0.020 -13.058
   29   2HB   GLU   5          1HB       GLU   5  -7.799   1.611 -13.576
   30   1HG   GLU   5          2HG       GLU   5  -6.794   1.152 -15.763
   31   2HG   GLU   5          1HG       GLU   5  -6.412  -0.486 -15.244
   32    H    GLY   6           H        GLY   6  -5.130  -0.208 -11.199
   33   1HA   GLY   6          2HA       GLY   6  -4.044  -2.255 -11.037
   34   2HA   GLY   6          1HA       GLY   6  -3.705  -2.188 -12.758
   35    H    GLN   7           H        GLN   7  -2.887   0.618 -11.033
   36    HA   GLN   7           HA       GLN   7  -0.112  -0.129 -11.360
   37   1HB   GLN   7          2HB       GLN   7   0.411   2.233 -11.004
   38   2HB   GLN   7          1HB       GLN   7  -0.490   1.825 -12.449
   39   1HG   GLN   7          2HG       GLN   7  -2.549   2.674 -11.390
   40   2HG   GLN   7          1HG       GLN   7  -1.668   2.957  -9.891
   41   1HE2  GLN   7          1HE2      GLN   7  -3.174   4.777 -11.554
   42   2HE2  GLN   7          2HE2      GLN   7  -2.100   6.064 -11.985
   43    H    VAL   8           H        VAL   8   1.177  -0.308  -9.985
   44    HA   VAL   8           HA       VAL   8   0.608   0.344  -7.154
   45    HB   VAL   8           HB       VAL   8   2.366  -1.900  -8.206
   46   1HG1  VAL   8          1HG1      VAL   8   1.559  -1.196  -5.389
   47   2HG1  VAL   8          2HG1      VAL   8   3.164  -1.009  -6.096
   48   3HG1  VAL   8          3HG1      VAL   8   2.487  -2.623  -5.855
   49   1HG2  VAL   8          1HG2      VAL   8  -0.329  -2.069  -6.861
   50   2HG2  VAL   8          2HG2      VAL   8   0.683  -3.447  -7.296
   51   3HG2  VAL   8          3HG2      VAL   8   0.007  -2.414  -8.556
   52    H    ILE   9           H        ILE   9   1.931   2.010  -6.523
   53    HA   ILE   9           HA       ILE   9   4.183   2.557  -8.255
   54    HB   ILE   9           HB       ILE   9   3.067   4.160  -5.954
   55   1HG1  ILE   9          2HG1      ILE   9   1.550   4.076  -7.862
   56   2HG1  ILE   9          1HG1      ILE   9   2.291   5.669  -7.718
   57   1HG2  ILE   9          1HG2      ILE   9   5.460   4.604  -6.210
   58   2HG2  ILE   9          2HG2      ILE   9   4.512   5.996  -6.738
   59   3HG2  ILE   9          3HG2      ILE   9   5.232   4.914  -7.931
   60   1HD1  ILE   9          1HD1      ILE   9   2.140   4.967 -10.045
   61   2HD1  ILE   9          2HD1      ILE   9   3.079   3.527  -9.690
   62   3HD1  ILE   9          3HD1      ILE   9   3.824   5.120  -9.546
   63    H    ALA  10           H        ALA  10   6.041   1.652  -7.872
   64    HA   ALA  10           HA       ALA  10   6.651   0.718  -5.198
   65   1HB   ALA  10          1HB       ALA  10   6.922  -0.841  -7.068
   66   2HB   ALA  10          2HB       ALA  10   8.458  -0.521  -6.260
   67   3HB   ALA  10          3HB       ALA  10   8.090   0.257  -7.801
   68    H    CYS  11           H        CYS  11   7.556   2.124  -3.908
   69    HA   CYS  11           HA       CYS  11   9.299   4.151  -4.995
   70   1HB   CYS  11          2HB       CYS  11   8.335   3.826  -2.180
   71   2HB   CYS  11          1HB       CYS  11   8.996   5.219  -2.964
   72    HG   CYS  11           HG       CYS  11   6.059   3.968  -4.137
   73    H    HIS  12           H        HIS  12  11.352   3.560  -5.025
   74    HA   HIS  12           HA       HIS  12  12.364   1.821  -2.882
   75   1HB   HIS  12          2HB       HIS  12  13.580   2.468  -5.582
   76   2HB   HIS  12          1HB       HIS  12  14.269   1.387  -4.384
   77    HD1  HIS  12           1HD      HIS  12  13.524  -1.010  -4.445
   78    HD2  HIS  12           2HD      HIS  12  11.175   1.467  -6.815
   79    HE1  HIS  12           1HE      HIS  12  12.021  -2.540  -5.786
   80    HE2  HIS  12           2HE      HIS  12  10.933  -1.009  -7.433
   81    H    THR  13           H        THR  13  11.835   4.872  -3.447
   82    HA   THR  13           HA       THR  13  14.313   5.764  -2.223
   83    HB   THR  13           HB       THR  13  14.262   7.814  -3.651
   84    HG1  THR  13           1HG      THR  13  12.532   6.414  -5.388
   85   1HG2  THR  13          1HG2      THR  13  15.164   6.797  -5.706
   86   2HG2  THR  13          2HG2      THR  13  14.505   5.238  -5.213
   87   3HG2  THR  13          3HG2      THR  13  15.779   5.998  -4.260
   88    H    VAL  14           H        VAL  14  13.997   7.519  -0.854
   89    HA   VAL  14           HA       VAL  14  11.379   7.740   0.206
   90    HB   VAL  14           HB       VAL  14  13.436   7.996   1.588
   91   1HG1  VAL  14          1HG1      VAL  14  13.739  10.652   0.224
   92   2HG1  VAL  14          2HG1      VAL  14  14.834   9.270   0.122
   93   3HG1  VAL  14          3HG1      VAL  14  14.637  10.131   1.649
   94   1HG2  VAL  14          1HG2      VAL  14  11.330   8.784   2.481
   95   2HG2  VAL  14          2HG2      VAL  14  11.554  10.351   1.706
   96   3HG2  VAL  14          3HG2      VAL  14  12.635   9.848   3.006
   97    H    GLU  15           H        GLU  15  13.099   9.391  -2.236
   98    HA   GLU  15           HA       GLU  15  11.807  11.871  -2.403
   99   1HB   GLU  15          2HB       GLU  15  13.820  11.187  -3.659
  100   2HB   GLU  15          1HB       GLU  15  12.831  10.103  -4.610
  101   1HG   GLU  15          2HG       GLU  15  11.558  12.072  -5.412
  102   2HG   GLU  15          1HG       GLU  15  12.709  13.099  -4.555
  103    H    THR  16           H        THR  16  11.065   8.808  -4.093
  104    HA   THR  16           HA       THR  16   8.732   9.756  -5.364
  105    HB   THR  16           HB       THR  16   9.454   6.887  -4.661
  106    HG1  THR  16           1HG      THR  16  10.345   8.701  -6.583
  107   1HG2  THR  16          1HG2      THR  16   7.722   8.038  -6.866
  108   2HG2  THR  16          2HG2      THR  16   7.129   7.186  -5.442
  109   3HG2  THR  16          3HG2      THR  16   8.098   6.330  -6.640
  110    H    TRP  17           H        TRP  17   9.329   7.967  -2.393
  111    HA   TRP  17           HA       TRP  17   6.737   7.479  -1.555
  112   1HB   TRP  17          2HB       TRP  17   8.631   6.420  -0.530
  113   2HB   TRP  17          1HB       TRP  17   9.302   7.968  -0.057
  114    HD1  TRP  17           HD       TRP  17   8.938   8.561   2.367
  115    HE1  TRP  17           1HE      TRP  17   7.328   7.874   4.205
  116    HE3  TRP  17           3HE      TRP  17   5.899   5.523  -0.358
  117    HZ2  TRP  17           2HZ      TRP  17   5.026   6.248   4.487
  118    HZ3  TRP  17           3HZ      TRP  17   4.007   4.443   0.770
  119    HH2  TRP  17           HH       TRP  17   3.581   4.799   3.148
  120    H    ASN  18           H        ASN  18   8.829  10.256  -0.892
  121    HA   ASN  18           HA       ASN  18   7.138  11.730   0.774
  122   1HB   ASN  18          2HB       ASN  18   9.565  12.169   0.378
  123   2HB   ASN  18          1HB       ASN  18   9.160  12.779  -1.216
  124   1HD2  ASN  18          1HD2      ASN  18   9.187  13.432   2.154
  125   2HD2  ASN  18          2HD2      ASN  18   8.720  15.092   2.052
  126    H    GLU  19           H        GLU  19   7.468  11.702  -2.737
  127    HA   GLU  19           HA       GLU  19   5.670  13.825  -3.268
  128   1HB   GLU  19          2HB       GLU  19   7.260  12.971  -4.978
  129   2HB   GLU  19          1HB       GLU  19   6.332  11.480  -5.069
  130   1HG   GLU  19          2HG       GLU  19   4.378  12.742  -5.849
  131   2HG   GLU  19          1HG       GLU  19   5.312  14.231  -5.780
  132    H    GLN  20           H        GLN  20   5.198  10.271  -3.160
  133    HA   GLN  20           HA       GLN  20   2.618  10.231  -3.982
  134   1HB   GLN  20          2HB       GLN  20   4.275   8.503  -2.310
  135   2HB   GLN  20          1HB       GLN  20   2.628   8.073  -2.750
  136   1HG   GLN  20          2HG       GLN  20   4.909   8.613  -4.651
  137   2HG   GLN  20          1HG       GLN  20   4.275   7.016  -4.257
  138   1HE2  GLN  20          1HE2      GLN  20   2.252   6.417  -5.054
  139   2HE2  GLN  20          2HE2      GLN  20   1.518   7.276  -6.367
  140    H    LEU  21           H        LEU  21   3.909  10.683  -0.638
  141    HA   LEU  21           HA       LEU  21   1.426  10.414   0.548
  142   1HB   LEU  21          2HB       LEU  21   3.964  11.707   1.248
  143   2HB   LEU  21          1HB       LEU  21   2.636  11.578   2.366
  144    HG   LEU  21           HG       LEU  21   4.275   9.318   1.193
  145   1HD1  LEU  21          1HD1      LEU  21   4.987   8.948   3.493
  146   2HD1  LEU  21          2HD1      LEU  21   4.049  10.348   4.011
  147   3HD1  LEU  21          3HD1      LEU  21   5.422  10.560   2.924
  148   1HD2  LEU  21          1HD2      LEU  21   1.944   9.177   3.114
  149   2HD2  LEU  21          2HD2      LEU  21   2.978   7.828   2.660
  150   3HD2  LEU  21          3HD2      LEU  21   1.955   8.591   1.449
  151    H    GLN  22           H        GLN  22   3.299  13.231  -0.446
  152    HA   GLN  22           HA       GLN  22   1.381  15.076   0.368
  153   1HB   GLN  22          2HB       GLN  22   3.612  15.839  -0.205
  154   2HB   GLN  22          1HB       GLN  22   3.410  15.300  -1.863
  155   1HG   GLN  22          2HG       GLN  22   3.214  17.738  -1.638
  156   2HG   GLN  22          1HG       GLN  22   1.744  17.000  -2.264
  157   1HE2  GLN  22          1HE2      GLN  22   0.513  18.776  -1.642
  158   2HE2  GLN  22          2HE2      GLN  22   0.109  19.085   0.006
  159    H    LYS  23           H        LYS  23   1.842  13.366  -2.646
  160    HA   LYS  23           HA       LYS  23  -0.187  14.490  -4.171
  161   1HB   LYS  23          2HB       LYS  23   1.497  12.994  -5.081
  162   2HB   LYS  23          1HB       LYS  23   0.841  11.653  -4.159
  163   1HG   LYS  23          2HG       LYS  23  -1.240  11.788  -5.445
  164   2HG   LYS  23          1HG       LYS  23  -0.574  13.121  -6.385
  165   1HD   LYS  23          2HD       LYS  23   0.577  10.327  -6.245
  166   2HD   LYS  23          1HD       LYS  23  -0.402  10.962  -7.567
  167   1HE   LYS  23          2HE       LYS  23   1.313  12.635  -8.052
  168   2HE   LYS  23          1HE       LYS  23   2.272  12.075  -6.685
  169   1HZ   LYS  23          1HZ       LYS  23   1.593  10.453  -9.081
  170   2HZ   LYS  23          2HZ       LYS  23   2.515   9.942  -7.762
  171   3HZ   LYS  23          3HZ       LYS  23   3.083  11.166  -8.763
  172    H    ALA  24           H        ALA  24  -0.353  11.764  -1.821
  173    HA   ALA  24           HA       ALA  24  -3.080  11.229  -2.357
  174   1HB   ALA  24          1HB       ALA  24  -2.989   9.869  -0.332
  175   2HB   ALA  24          2HB       ALA  24  -1.441  10.599   0.096
  176   3HB   ALA  24          3HB       ALA  24  -1.567   9.581  -1.339
  177    H    ASN  25           H        ASN  25  -1.410  13.034   0.146
  178    HA   ASN  25           HA       ASN  25  -3.564  13.778   1.794
  179   1HB   ASN  25          2HB       ASN  25  -1.037  14.001   2.138
  180   2HB   ASN  25          1HB       ASN  25  -1.134  15.403   1.144
  181   1HD2  ASN  25          1HD2      ASN  25  -0.374  15.151   3.935
  182   2HD2  ASN  25          2HD2      ASN  25  -1.357  16.261   4.815
  183    H    GLU  26           H        GLU  26  -1.915  15.537  -0.696
  184    HA   GLU  26           HA       GLU  26  -3.419  17.917  -0.698
  185   1HB   GLU  26          2HB       GLU  26  -1.182  17.679  -1.649
  186   2HB   GLU  26          1HB       GLU  26  -1.834  16.676  -2.930
  187   1HG   GLU  26          2HG       GLU  26  -3.115  18.576  -3.753
  188   2HG   GLU  26          1HG       GLU  26  -2.453  19.578  -2.458
  189    H    SER  27           H        SER  27  -3.764  15.004  -2.711
  190    HA   SER  27           HA       SER  27  -5.918  16.192  -4.199
  191   1HB   SER  27          2HB       SER  27  -4.806  13.410  -4.251
  192   2HB   SER  27          1HB       SER  27  -5.840  14.148  -5.472
  193    HG   SER  27           HG       SER  27  -3.198  14.306  -5.069
  194    H    LYS  28           H        LYS  28  -5.724  14.773  -1.155
  195    HA   LYS  28           HA       LYS  28  -7.090  13.967   0.294
  196   1HB   LYS  28          2HB       LYS  28  -8.555  15.813  -0.590
  197   2HB   LYS  28          1HB       LYS  28  -9.219  14.585  -1.671
  198   1HG   LYS  28          2HG       LYS  28  -9.805  13.282   0.179
  199   2HG   LYS  28          1HG       LYS  28  -9.301  14.521   1.302
  200   1HD   LYS  28          2HD       LYS  28 -10.942  16.104   0.354
  201   2HD   LYS  28          1HD       LYS  28 -11.511  14.852  -0.758
  202   1HE   LYS  28          2HE       LYS  28 -11.580  14.713   2.238
  203   2HE   LYS  28          1HE       LYS  28 -12.974  15.076   1.227
  204   1HZ   LYS  28          1HZ       LYS  28 -12.715  12.854   0.224
  205   2HZ   LYS  28          2HZ       LYS  28 -12.928  12.730   1.905
  206   3HZ   LYS  28          3HZ       LYS  28 -11.419  12.534   1.240
  207    H    THR  29           H        THR  29  -5.966  12.357  -1.846
  208    HA   THR  29           HA       THR  29  -7.916  10.333  -2.470
  209    HB   THR  29           HB       THR  29  -4.985  10.216  -2.965
  210    HG1  THR  29           1HG      THR  29  -7.062  11.506  -4.505
  211   1HG2  THR  29          1HG2      THR  29  -5.683   8.911  -4.966
  212   2HG2  THR  29          2HG2      THR  29  -7.363   9.089  -4.461
  213   3HG2  THR  29          3HG2      THR  29  -6.229   8.189  -3.454
  214    H    LEU  30           H        LEU  30  -7.816   8.352  -1.704
  215    HA   LEU  30           HA       LEU  30  -6.648   8.002   0.858
  216   1HB   LEU  30          2HB       LEU  30  -8.967   7.269   0.364
  217   2HB   LEU  30          1HB       LEU  30  -8.390   6.158  -0.836
  218    HG   LEU  30           HG       LEU  30  -7.935   5.828   2.156
  219   1HD1  LEU  30          1HD1      LEU  30  -9.692   4.138   2.029
  220   2HD1  LEU  30          2HD1      LEU  30  -9.974   4.551   0.341
  221   3HD1  LEU  30          3HD1      LEU  30 -10.303   5.735   1.606
  222   1HD2  LEU  30          1HD2      LEU  30  -7.392   3.518   1.598
  223   2HD2  LEU  30          2HD2      LEU  30  -6.305   4.613   0.742
  224   3HD2  LEU  30          3HD2      LEU  30  -7.650   3.851  -0.112
  225    H    VAL  31           H        VAL  31  -4.875   6.392   1.247
  226    HA   VAL  31           HA       VAL  31  -3.710   5.268  -1.166
  227    HB   VAL  31           HB       VAL  31  -2.535   7.329  -0.636
  228   1HG1  VAL  31          1HG1      VAL  31  -1.951   6.134   2.037
  229   2HG1  VAL  31          2HG1      VAL  31  -3.004   7.512   1.711
  230   3HG1  VAL  31          3HG1      VAL  31  -1.265   7.637   1.424
  231   1HG2  VAL  31          1HG2      VAL  31  -1.200   5.547  -1.576
  232   2HG2  VAL  31          2HG2      VAL  31  -0.871   4.913   0.036
  233   3HG2  VAL  31          3HG2      VAL  31  -0.232   6.487  -0.443
  234    H    VAL  32           H        VAL  32  -2.827   3.254  -0.989
  235    HA   VAL  32           HA       VAL  32  -2.818   1.992   1.662
  236    HB   VAL  32           HB       VAL  32  -3.506   0.718  -0.959
  237   1HG1  VAL  32          1HG1      VAL  32  -3.427  -0.486   1.825
  238   2HG1  VAL  32          2HG1      VAL  32  -2.303  -0.837   0.517
  239   3HG1  VAL  32          3HG1      VAL  32  -3.992  -1.331   0.381
  240   1HG2  VAL  32          1HG2      VAL  32  -5.250   1.260   1.437
  241   2HG2  VAL  32          2HG2      VAL  32  -5.757   0.366   0.002
  242   3HG2  VAL  32          3HG2      VAL  32  -5.330   2.076  -0.120
  243    H    VAL  33           H        VAL  33  -0.862   1.364   2.238
  244    HA   VAL  33           HA       VAL  33   1.129   0.993   0.097
  245    HB   VAL  33           HB       VAL  33   1.628   2.111   2.852
  246   1HG1  VAL  33          1HG1      VAL  33   3.834   2.686   1.978
  247   2HG1  VAL  33          2HG1      VAL  33   3.425   1.892   0.455
  248   3HG1  VAL  33          3HG1      VAL  33   3.528   0.952   1.941
  249   1HG2  VAL  33          1HG2      VAL  33   0.321   3.704   1.561
  250   2HG2  VAL  33          2HG2      VAL  33   1.449   3.589   0.217
  251   3HG2  VAL  33          3HG2      VAL  33   1.969   4.291   1.746
  252    H    ASP  34           H        ASP  34   2.156  -0.926   0.136
  253    HA   ASP  34           HA       ASP  34   2.141  -2.435   2.655
  254   1HB   ASP  34          2HB       ASP  34   1.010  -3.707   0.924
  255   2HB   ASP  34          1HB       ASP  34   2.362  -3.471  -0.180
  256    H    PHE  35           H        PHE  35   3.974  -2.663   3.656
  257    HA   PHE  35           HA       PHE  35   6.427  -1.857   2.306
  258   1HB   PHE  35          2HB       PHE  35   5.747  -2.269   5.208
  259   2HB   PHE  35          1HB       PHE  35   7.289  -1.727   4.582
  260    HD1  PHE  35           1HD      PHE  35   3.815  -0.816   5.280
  261    HD2  PHE  35           2HD      PHE  35   7.565   0.566   3.817
  262    HE1  PHE  35           1HE      PHE  35   3.039   1.510   5.502
  263    HE2  PHE  35           2HE      PHE  35   6.794   2.892   4.034
  264    HZ   PHE  35           HZ       PHE  35   4.534   3.368   4.879
  265    H    THR  36           H        THR  36   7.571  -3.552   1.533
  266    HA   THR  36           HA       THR  36   8.253  -5.667   3.289
  267    HB   THR  36           HB       THR  36   6.115  -6.489   2.297
  268    HG1  THR  36           1HG      THR  36   6.976  -8.455   2.326
  269   1HG2  THR  36          1HG2      THR  36   7.703  -6.505  -0.276
  270   2HG2  THR  36          2HG2      THR  36   6.321  -5.469   0.076
  271   3HG2  THR  36          3HG2      THR  36   6.101  -7.213  -0.059
  272    H    ALA  37           H        ALA  37   9.626  -7.277   1.814
  273    HA   ALA  37           HA       ALA  37  11.343  -5.566   0.151
  274   1HB   ALA  37          1HB       ALA  37  12.478  -6.174   2.243
  275   2HB   ALA  37          2HB       ALA  37  13.252  -6.946   0.856
  276   3HB   ALA  37          3HB       ALA  37  12.186  -7.878   1.904
  277    H    SER  38           H        SER  38  12.083  -6.472  -1.721
  278    HA   SER  38           HA       SER  38  10.343  -8.154  -3.087
  279   1HB   SER  38          2HB       SER  38  12.088  -8.267  -4.849
  280   2HB   SER  38          1HB       SER  38  11.720  -6.632  -4.307
  281    HG   SER  38           HG       SER  38  13.588  -6.874  -2.879
  282    H    TRP  39           H        TRP  39  12.916  -9.136  -1.027
  283    HA   TRP  39           HA       TRP  39  13.092 -11.744  -2.247
  284   1HB   TRP  39          2HB       TRP  39  14.851 -12.180  -0.457
  285   2HB   TRP  39          1HB       TRP  39  15.197 -10.893  -1.587
  286    HD1  TRP  39           HD       TRP  39  15.564  -8.583  -0.645
  287    HE1  TRP  39           1HE      TRP  39  15.795  -7.595   1.771
  288    HE3  TRP  39           3HE      TRP  39  13.831 -12.537   2.002
  289    HZ2  TRP  39           2HZ      TRP  39  15.285  -8.414   4.381
  290    HZ3  TRP  39           3HZ      TRP  39  13.726 -12.373   4.467
  291    HH2  TRP  39           HH       TRP  39  14.439 -10.351   5.622
  292    H    CYS  40           H        CYS  40  10.770 -10.602  -0.511
  293    HA   CYS  40           HA       CYS  40  10.544 -12.761   1.419
  294   1HB   CYS  40          2HB       CYS  40   9.878 -10.571   2.144
  295   2HB   CYS  40          1HB       CYS  40   8.764 -10.402   0.801
  296    H    GLY  41           H        GLY  41   9.562 -14.620   1.000
  297   1HA   GLY  41          2HA       GLY  41   8.560 -15.286  -1.536
  298   2HA   GLY  41          1HA       GLY  41   8.454 -16.276  -0.090
  299    HA   PRO  42           HA       PRO  42   4.066 -15.642   0.377
  300   1HB   PRO  42          2HB       PRO  42   3.758 -14.177   2.729
  301   2HB   PRO  42          1HB       PRO  42   3.935 -15.932   2.645
  302   1HG   PRO  42          2HG       PRO  42   5.995 -13.845   3.210
  303   2HG   PRO  42          1HG       PRO  42   5.783 -15.437   3.957
  304   1HD   PRO  42          2HD       PRO  42   7.683 -15.017   2.131
  305   2HD   PRO  42          1HD       PRO  42   6.776 -16.546   2.156
  306    H    CYS  43           H        CYS  43   6.009 -12.820   0.894
  307    HA   CYS  43           HA       CYS  43   4.026 -10.856   0.452
  308   1HB   CYS  43          2HB       CYS  43   6.988 -10.701   0.011
  309   2HB   CYS  43          1HB       CYS  43   5.896  -9.345   0.259
  310    H    ARG  44           H        ARG  44   6.332 -12.542  -1.642
  311    HA   ARG  44           HA       ARG  44   5.705 -11.109  -4.021
  312   1HB   ARG  44          2HB       ARG  44   7.810 -12.335  -3.668
  313   2HB   ARG  44          1HB       ARG  44   6.917 -13.842  -3.586
  314   1HG   ARG  44          2HG       ARG  44   6.258 -13.576  -5.920
  315   2HG   ARG  44          1HG       ARG  44   7.161 -12.058  -6.000
  316   1HD   ARG  44          2HD       ARG  44   8.303 -14.783  -5.387
  317   2HD   ARG  44          1HD       ARG  44   8.481 -13.901  -6.904
  318    HE   ARG  44           HE       ARG  44   9.536 -12.137  -5.390
  319   1HH1  ARG  44          1HH1      ARG  44   9.861 -15.622  -4.904
  320   2HH1  ARG  44          2HH1      ARG  44  11.391 -15.529  -4.188
  321   1HH2  ARG  44          1HH2      ARG  44  11.638 -12.007  -4.380
  322   2HH2  ARG  44          2HH2      ARG  44  12.436 -13.436  -3.895
  323    H    PHE  45           H        PHE  45   4.475 -13.856  -2.361
  324    HA   PHE  45           HA       PHE  45   2.832 -14.964  -4.387
  325   1HB   PHE  45          2HB       PHE  45   3.619 -16.185  -2.383
  326   2HB   PHE  45          1HB       PHE  45   2.631 -15.150  -1.375
  327    HD1  PHE  45           1HD      PHE  45   2.548 -17.739  -3.985
  328    HD2  PHE  45           2HD      PHE  45   0.293 -15.684  -0.979
  329    HE1  PHE  45           1HE      PHE  45   0.744 -19.393  -4.191
  330    HE2  PHE  45           2HE      PHE  45  -1.481 -17.341  -1.195
  331    HZ   PHE  45           HZ       PHE  45  -1.271 -19.193  -2.799
  332    H    ILE  46           H        ILE  46   2.344 -12.509  -1.912
  333    HA   ILE  46           HA       ILE  46  -0.491 -12.300  -2.528
  334    HB   ILE  46           HB       ILE  46   0.397 -12.156  -0.157
  335   1HG1  ILE  46          2HG1      ILE  46  -1.012 -10.221   0.556
  336   2HG1  ILE  46          1HG1      ILE  46  -1.188  -9.777  -1.142
  337   1HG2  ILE  46          1HG2      ILE  46   2.373 -10.847  -0.609
  338   2HG2  ILE  46          2HG2      ILE  46   1.388 -10.101   0.647
  339   3HG2  ILE  46          3HG2      ILE  46   1.382  -9.440  -0.994
  340   1HD1  ILE  46          1HD1      ILE  46  -2.289 -11.902  -1.565
  341   2HD1  ILE  46          2HD1      ILE  46  -3.116 -10.995  -0.291
  342   3HD1  ILE  46          3HD1      ILE  46  -2.053 -12.347   0.122
  343    H    ALA  47           H        ALA  47   2.265 -11.172  -3.873
  344    HA   ALA  47           HA       ALA  47   1.806  -8.437  -4.245
  345   1HB   ALA  47          1HB       ALA  47   3.417 -10.199  -6.101
  346   2HB   ALA  47          2HB       ALA  47   4.008  -9.494  -4.604
  347   3HB   ALA  47          3HB       ALA  47   3.524  -8.447  -5.936
  348    HA   PRO  48           HA       PRO  48  -0.216  -9.333  -8.553
  349   1HB   PRO  48          2HB       PRO  48  -1.356 -12.035  -8.300
  350   2HB   PRO  48          1HB       PRO  48  -0.446 -11.327  -9.629
  351   1HG   PRO  48          2HG       PRO  48   0.625 -13.220  -8.046
  352   2HG   PRO  48          1HG       PRO  48   1.600 -11.908  -8.731
  353   1HD   PRO  48          2HD       PRO  48   0.483 -12.203  -5.969
  354   2HD   PRO  48          1HD       PRO  48   2.079 -11.620  -6.478
  355    H    PHE  49           H        PHE  49  -1.364 -10.713  -5.642
  356    HA   PHE  49           HA       PHE  49  -4.171 -10.348  -6.013
  357   1HB   PHE  49          2HB       PHE  49  -3.012 -11.890  -4.330
  358   2HB   PHE  49          1HB       PHE  49  -2.655 -10.452  -3.399
  359    HD1  PHE  49           1HD      PHE  49  -4.472  -9.259  -2.214
  360    HD2  PHE  49           2HD      PHE  49  -5.173 -12.834  -4.414
  361    HE1  PHE  49           1HE      PHE  49  -6.646  -9.556  -1.053
  362    HE2  PHE  49           2HE      PHE  49  -7.324 -13.125  -3.272
  363    HZ   PHE  49           HZ       PHE  49  -8.055 -11.502  -1.607
  364    H    PHE  50           H        PHE  50  -1.611  -8.510  -4.418
  365    HA   PHE  50           HA       PHE  50  -3.243  -6.265  -3.637
  366   1HB   PHE  50          2HB       PHE  50  -1.056  -6.875  -2.562
  367   2HB   PHE  50          1HB       PHE  50  -0.239  -6.447  -4.053
  368    HD1  PHE  50           1HD      PHE  50  -2.249  -5.104  -1.262
  369    HD2  PHE  50           2HD      PHE  50   0.371  -4.199  -4.487
  370    HE1  PHE  50           1HE      PHE  50  -2.018  -2.808  -0.422
  371    HE2  PHE  50           2HE      PHE  50   0.601  -1.898  -3.653
  372    HZ   PHE  50           HZ       PHE  50  -0.589  -1.199  -1.618
  373    H    ALA  51           H        ALA  51  -1.352  -7.076  -6.449
  374    HA   ALA  51           HA       ALA  51  -1.675  -4.581  -7.758
  375   1HB   ALA  51          1HB       ALA  51  -1.010  -5.767  -9.792
  376   2HB   ALA  51          2HB       ALA  51  -1.245  -7.311  -8.972
  377   3HB   ALA  51          3HB       ALA  51   0.032  -6.219  -8.441
  378    H    ASP  52           H        ASP  52  -3.678  -7.399  -7.404
  379    HA   ASP  52           HA       ASP  52  -5.601  -6.798  -9.446
  380   1HB   ASP  52          2HB       ASP  52  -5.253  -9.021  -8.271
  381   2HB   ASP  52          1HB       ASP  52  -6.033  -8.311  -6.895
  382    H    LEU  53           H        LEU  53  -5.291  -6.234  -6.036
  383    HA   LEU  53           HA       LEU  53  -7.612  -4.796  -5.560
  384   1HB   LEU  53          2HB       LEU  53  -4.849  -4.634  -4.433
  385   2HB   LEU  53          1HB       LEU  53  -6.164  -3.816  -3.691
  386    HG   LEU  53           HG       LEU  53  -5.723  -6.755  -3.928
  387   1HD1  LEU  53          1HD1      LEU  53  -4.449  -5.621  -2.178
  388   2HD1  LEU  53          2HD1      LEU  53  -5.696  -6.657  -1.486
  389   3HD1  LEU  53          3HD1      LEU  53  -5.938  -4.913  -1.558
  390   1HD2  LEU  53          1HD2      LEU  53  -8.128  -5.311  -2.826
  391   2HD2  LEU  53          2HD2      LEU  53  -7.784  -7.025  -2.634
  392   3HD2  LEU  53          3HD2      LEU  53  -8.094  -6.371  -4.241
  393    H    ALA  54           H        ALA  54  -4.430  -3.727  -6.607
  394    HA   ALA  54           HA       ALA  54  -5.042  -1.009  -6.862
  395   1HB   ALA  54          1HB       ALA  54  -2.748  -1.860  -6.800
  396   2HB   ALA  54          2HB       ALA  54  -3.018  -0.869  -8.237
  397   3HB   ALA  54          3HB       ALA  54  -2.985  -2.625  -8.372
  398    H    LYS  55           H        LYS  55  -5.493  -3.708  -8.952
  399    HA   LYS  55           HA       LYS  55  -6.135  -2.451 -11.417
  400   1HB   LYS  55          2HB       LYS  55  -5.534  -4.777 -11.170
  401   2HB   LYS  55          1HB       LYS  55  -6.942  -5.068 -10.177
  402   1HG   LYS  55          2HG       LYS  55  -8.307  -4.430 -12.238
  403   2HG   LYS  55          1HG       LYS  55  -6.787  -4.588 -13.132
  404   1HD   LYS  55          2HD       LYS  55  -8.072  -6.732 -11.424
  405   2HD   LYS  55          1HD       LYS  55  -8.051  -6.692 -13.182
  406   1HE   LYS  55          2HE       LYS  55  -5.671  -6.988 -13.223
  407   2HE   LYS  55          1HE       LYS  55  -5.554  -6.800 -11.479
  408   1HZ   LYS  55          1HZ       LYS  55  -6.935  -9.030 -12.886
  409   2HZ   LYS  55          2HZ       LYS  55  -6.831  -8.835 -11.211
  410   3HZ   LYS  55          3HZ       LYS  55  -5.436  -9.112 -12.109
  411    H    LYS  56           H        LYS  56  -8.026  -3.420  -8.634
  412    HA   LYS  56           HA       LYS  56 -10.532  -2.767  -9.937
  413   1HB   LYS  56          2HB       LYS  56 -10.247  -4.845  -8.612
  414   2HB   LYS  56          1HB       LYS  56 -10.033  -3.869  -7.169
  415   1HG   LYS  56          2HG       LYS  56 -12.300  -2.990  -7.451
  416   2HG   LYS  56          1HG       LYS  56 -12.499  -4.004  -8.881
  417   1HD   LYS  56          2HD       LYS  56 -12.144  -5.992  -7.505
  418   2HD   LYS  56          1HD       LYS  56 -11.958  -4.969  -6.084
  419   1HE   LYS  56          2HE       LYS  56 -14.434  -5.222  -7.801
  420   2HE   LYS  56          1HE       LYS  56 -14.212  -5.893  -6.187
  421   1HZ   LYS  56          1HZ       LYS  56 -14.027  -3.606  -5.329
  422   2HZ   LYS  56          2HZ       LYS  56 -15.480  -3.861  -6.100
  423   3HZ   LYS  56          3HZ       LYS  56 -14.283  -3.003  -6.885
  424    H    LEU  57           H        LEU  57  -8.302  -0.981  -8.386
  425    HA   LEU  57           HA       LEU  57  -9.273   0.392  -6.278
  426   1HB   LEU  57          2HB       LEU  57  -7.739   2.096  -6.704
  427   2HB   LEU  57          1HB       LEU  57  -7.046   0.682  -7.456
  428    HG   LEU  57           HG       LEU  57  -8.369   3.008  -8.866
  429   1HD1  LEU  57          1HD1      LEU  57  -5.499   2.147  -8.780
  430   2HD1  LEU  57          2HD1      LEU  57  -6.205   3.572  -8.019
  431   3HD1  LEU  57          3HD1      LEU  57  -6.150   3.447  -9.778
  432   1HD2  LEU  57          1HD2      LEU  57  -8.793   0.949 -10.125
  433   2HD2  LEU  57          2HD2      LEU  57  -7.068   0.572 -10.107
  434   3HD2  LEU  57          3HD2      LEU  57  -7.654   1.988 -10.984
  435    HA   PRO  58           HA       PRO  58 -12.749   2.867  -7.848
  436   1HB   PRO  58          2HB       PRO  58 -12.506   4.261  -5.274
  437   2HB   PRO  58          1HB       PRO  58 -13.881   3.339  -5.888
  438   1HG   PRO  58          2HG       PRO  58 -12.327   2.494  -3.835
  439   2HG   PRO  58          1HG       PRO  58 -13.152   1.379  -4.941
  440   1HD   PRO  58          2HD       PRO  58 -10.276   2.174  -4.826
  441   2HD   PRO  58          1HD       PRO  58 -11.018   0.620  -5.267
  442    H    ASN  59           H        ASN  59 -10.467   4.334  -5.626
  443    HA   ASN  59           HA       ASN  59  -8.931   5.697  -7.520
  444   1HB   ASN  59          2HB       ASN  59 -10.931   7.225  -7.499
  445   2HB   ASN  59          1HB       ASN  59 -10.671   7.437  -5.772
  446   1HD2  ASN  59          1HD2      ASN  59 -10.294   9.635  -5.936
  447   2HD2  ASN  59          2HD2      ASN  59  -8.853  10.293  -6.623
  448    H    VAL  60           H        VAL  60  -7.654   4.269  -6.228
  449    HA   VAL  60           HA       VAL  60  -6.851   5.459  -3.686
  450    HB   VAL  60           HB       VAL  60  -7.239   2.488  -4.215
  451   1HG1  VAL  60          1HG1      VAL  60  -6.202   3.888  -1.752
  452   2HG1  VAL  60          2HG1      VAL  60  -5.268   2.867  -2.845
  453   3HG1  VAL  60          3HG1      VAL  60  -6.569   2.168  -1.878
  454   1HG2  VAL  60          1HG2      VAL  60  -8.913   2.583  -2.423
  455   2HG2  VAL  60          2HG2      VAL  60  -9.343   3.669  -3.754
  456   3HG2  VAL  60          3HG2      VAL  60  -8.653   4.321  -2.274
  457    H    LEU  61           H        LEU  61  -4.663   5.645  -3.473
  458    HA   LEU  61           HA       LEU  61  -3.038   4.783  -5.684
  459   1HB   LEU  61          2HB       LEU  61  -2.483   6.384  -3.200
  460   2HB   LEU  61          1HB       LEU  61  -1.325   6.061  -4.466
  461    HG   LEU  61           HG       LEU  61  -3.855   7.686  -4.765
  462   1HD1  LEU  61          1HD1      LEU  61  -2.338   9.591  -4.994
  463   2HD1  LEU  61          2HD1      LEU  61  -0.965   8.536  -4.661
  464   3HD1  LEU  61          3HD1      LEU  61  -2.182   8.822  -3.414
  465   1HD2  LEU  61          1HD2      LEU  61  -2.947   8.287  -6.961
  466   2HD2  LEU  61          2HD2      LEU  61  -3.268   6.559  -6.844
  467   3HD2  LEU  61          3HD2      LEU  61  -1.611   7.160  -6.719
  468    H    PHE  62           H        PHE  62  -2.186   2.772  -5.568
  469    HA   PHE  62           HA       PHE  62  -1.607   1.668  -2.923
  470   1HB   PHE  62          2HB       PHE  62  -1.657   0.292  -5.586
  471   2HB   PHE  62          1HB       PHE  62  -1.322  -0.479  -4.065
  472    HD1  PHE  62           1HD      PHE  62  -3.020  -1.255  -2.640
  473    HD2  PHE  62           2HD      PHE  62  -4.022   1.253  -5.922
  474    HE1  PHE  62           1HE      PHE  62  -5.403  -1.721  -2.263
  475    HE2  PHE  62           2HE      PHE  62  -6.409   0.788  -5.541
  476    HZ   PHE  62           HZ       PHE  62  -7.098  -0.697  -3.725
  477    H    LEU  63           H        LEU  63   0.329   1.180  -2.356
  478    HA   LEU  63           HA       LEU  63   2.515   1.772  -4.213
  479   1HB   LEU  63          2HB       LEU  63   2.230   2.744  -1.413
  480   2HB   LEU  63          1HB       LEU  63   3.794   2.599  -2.166
  481    HG   LEU  63           HG       LEU  63   3.010   4.224  -3.918
  482   1HD1  LEU  63          1HD1      LEU  63   0.685   4.613  -2.063
  483   2HD1  LEU  63          2HD1      LEU  63   0.615   3.963  -3.699
  484   3HD1  LEU  63          3HD1      LEU  63   1.095   5.642  -3.434
  485   1HD2  LEU  63          1HD2      LEU  63   3.259   6.175  -2.494
  486   2HD2  LEU  63          2HD2      LEU  63   4.410   4.906  -2.070
  487   3HD2  LEU  63          3HD2      LEU  63   2.985   5.175  -1.071
  488    H    LYS  64           H        LYS  64   4.400   0.816  -3.942
  489    HA   LYS  64           HA       LYS  64   4.516  -1.551  -2.212
  490   1HB   LYS  64          2HB       LYS  64   4.317  -2.070  -4.634
  491   2HB   LYS  64          1HB       LYS  64   5.694  -1.053  -4.973
  492   1HG   LYS  64          2HG       LYS  64   6.577  -3.188  -5.092
  493   2HG   LYS  64          1HG       LYS  64   6.982  -2.699  -3.453
  494   1HD   LYS  64          2HD       LYS  64   4.628  -4.450  -4.228
  495   2HD   LYS  64          1HD       LYS  64   6.165  -5.045  -3.628
  496   1HE   LYS  64          2HE       LYS  64   5.726  -3.792  -1.498
  497   2HE   LYS  64          1HE       LYS  64   4.148  -3.361  -2.168
  498   1HZ   LYS  64          1HZ       LYS  64   5.075  -6.125  -1.763
  499   2HZ   LYS  64          2HZ       LYS  64   3.525  -5.664  -2.232
  500   3HZ   LYS  64          3HZ       LYS  64   4.101  -5.294  -0.693
  501    H    VAL  65           H        VAL  65   6.009  -1.090  -0.632
  502    HA   VAL  65           HA       VAL  65   8.247   0.654  -1.391
  503    HB   VAL  65           HB       VAL  65   6.898   0.432   1.322
  504   1HG1  VAL  65          1HG1      VAL  65   9.186   2.172   0.437
  505   2HG1  VAL  65          2HG1      VAL  65   9.314   0.796   1.536
  506   3HG1  VAL  65          3HG1      VAL  65   8.409   2.236   2.017
  507   1HG2  VAL  65          1HG2      VAL  65   6.990   2.706  -0.654
  508   2HG2  VAL  65          2HG2      VAL  65   6.257   2.767   0.951
  509   3HG2  VAL  65          3HG2      VAL  65   5.588   1.703  -0.287
  510    H    ASP  66           H        ASP  66  10.178  -0.245  -1.256
  511    HA   ASP  66           HA       ASP  66  10.395  -2.893  -0.117
  512   1HB   ASP  66          2HB       ASP  66  11.511  -2.292  -2.295
  513   2HB   ASP  66          1HB       ASP  66  12.548  -1.238  -1.334
  514    H    THR  67           H        THR  67  10.646  -3.085   1.893
  515    HA   THR  67           HA       THR  67  11.578  -0.993   3.607
  516    HB   THR  67           HB       THR  67   9.833  -2.570   4.385
  517    HG1  THR  67           1HG      THR  67  10.883  -3.209   6.415
  518   1HG2  THR  67          1HG2      THR  67  10.388  -4.892   4.972
  519   2HG2  THR  67          2HG2      THR  67  12.011  -4.667   4.326
  520   3HG2  THR  67          3HG2      THR  67  10.615  -4.594   3.251
  521    H    ASP  68           H        ASP  68  13.167  -3.466   1.905
  522    HA   ASP  68           HA       ASP  68  15.352  -3.846   3.718
  523   1HB   ASP  68          2HB       ASP  68  14.629  -5.471   1.952
  524   2HB   ASP  68          1HB       ASP  68  15.204  -4.346   0.749
  525    H    GLU  69           H        GLU  69  14.746  -1.969   0.781
  526    HA   GLU  69           HA       GLU  69  17.167  -0.551   0.866
  527   1HB   GLU  69          2HB       GLU  69  14.549  -0.185  -0.514
  528   2HB   GLU  69          1HB       GLU  69  15.874   0.939  -0.707
  529   1HG   GLU  69          2HG       GLU  69  17.266  -0.920  -1.577
  530   2HG   GLU  69          1HG       GLU  69  15.883  -1.992  -1.360
  531    H    LEU  70           H        LEU  70  13.753   0.501   1.556
  532    HA   LEU  70           HA       LEU  70  14.812   2.868   2.698
  533   1HB   LEU  70          2HB       LEU  70  12.054   1.904   2.079
  534   2HB   LEU  70          1HB       LEU  70  12.428   3.432   2.834
  535    HG   LEU  70           HG       LEU  70  13.310   2.598   0.068
  536   1HD1  LEU  70          1HD1      LEU  70  10.931   2.983   0.148
  537   2HD1  LEU  70          2HD1      LEU  70  11.732   4.289  -0.723
  538   3HD1  LEU  70          3HD1      LEU  70  11.179   4.543   0.932
  539   1HD2  LEU  70          1HD2      LEU  70  14.000   4.934  -0.171
  540   2HD2  LEU  70          2HD2      LEU  70  14.903   4.115   1.097
  541   3HD2  LEU  70          3HD2      LEU  70  13.596   5.225   1.520
  542    H    LYS  71           H        LYS  71  15.812   1.587   4.377
  543    HA   LYS  71           HA       LYS  71  14.292   0.321   6.408
  544   1HB   LYS  71          2HB       LYS  71  17.073   1.492   6.524
  545   2HB   LYS  71          1HB       LYS  71  16.363   0.440   7.739
  546   1HG   LYS  71          2HG       LYS  71  16.219  -1.364   6.112
  547   2HG   LYS  71          1HG       LYS  71  16.881  -0.304   4.870
  548   1HD   LYS  71          2HD       LYS  71  18.953  -0.090   6.143
  549   2HD   LYS  71          1HD       LYS  71  18.285  -1.108   7.416
  550   1HE   LYS  71          2HE       LYS  71  18.106  -2.973   5.836
  551   2HE   LYS  71          1HE       LYS  71  18.742  -1.949   4.555
  552   1HZ   LYS  71          1HZ       LYS  71  20.194  -2.707   7.029
  553   2HZ   LYS  71          2HZ       LYS  71  20.833  -1.802   5.723
  554   3HZ   LYS  71          3HZ       LYS  71  20.397  -3.407   5.518
  555    H    SER  72           H        SER  72  15.493   3.585   5.975
  556    HA   SER  72           HA       SER  72  14.826   4.559   8.525
  557   1HB   SER  72          2HB       SER  72  15.010   6.034   5.923
  558   2HB   SER  72          1HB       SER  72  15.115   6.768   7.527
  559    HG   SER  72           HG       SER  72  16.994   5.684   7.901
  560    H    VAL  73           H        VAL  73  13.001   4.294   5.546
  561    HA   VAL  73           HA       VAL  73  10.743   5.740   6.486
  562    HB   VAL  73           HB       VAL  73  10.925   3.684   4.251
  563   1HG1  VAL  73          1HG1      VAL  73   8.621   3.962   5.005
  564   2HG1  VAL  73          2HG1      VAL  73   8.841   4.681   3.409
  565   3HG1  VAL  73          3HG1      VAL  73   8.763   5.711   4.836
  566   1HG2  VAL  73          1HG2      VAL  73  12.378   5.600   3.863
  567   2HG2  VAL  73          2HG2      VAL  73  11.038   6.699   4.178
  568   3HG2  VAL  73          3HG2      VAL  73  11.000   5.651   2.761
  569    H    ALA  74           H        ALA  74  11.598   2.306   6.284
  570    HA   ALA  74           HA       ALA  74   9.292   1.217   7.362
  571   1HB   ALA  74          1HB       ALA  74  10.687  -0.686   7.984
  572   2HB   ALA  74          2HB       ALA  74  12.134   0.288   7.740
  573   3HB   ALA  74          3HB       ALA  74  11.097  -0.109   6.370
  574    H    SER  75           H        SER  75  12.223   2.351   9.008
  575    HA   SER  75           HA       SER  75  11.464   1.737  11.621
  576   1HB   SER  75          2HB       SER  75  13.251   3.975  10.662
  577   2HB   SER  75          1HB       SER  75  13.200   3.320  12.301
  578    HG   SER  75           HG       SER  75  14.147   2.127   9.922
  579    H    ASP  76           H        ASP  76  10.857   4.649   9.683
  580    HA   ASP  76           HA       ASP  76   9.862   6.269  11.781
  581   1HB   ASP  76          2HB       ASP  76  10.600   7.166   9.588
  582   2HB   ASP  76          1HB       ASP  76   9.201   6.416   8.830
  583    H    TRP  77           H        TRP  77   8.350   3.981   9.615
  584    HA   TRP  77           HA       TRP  77   5.781   4.563  10.748
  585   1HB   TRP  77          2HB       TRP  77   6.609   2.867   8.438
  586   2HB   TRP  77          1HB       TRP  77   4.929   3.010   8.959
  587    HD1  TRP  77           HD       TRP  77   7.762   5.077   7.360
  588    HE1  TRP  77           1HE      TRP  77   6.743   7.093   6.148
  589    HE3  TRP  77           3HE      TRP  77   2.899   4.540   8.828
  590    HZ2  TRP  77           2HZ      TRP  77   4.219   8.295   5.832
  591    HZ3  TRP  77           3HZ      TRP  77   1.243   6.169   8.015
  592    HH2  TRP  77           HH       TRP  77   1.890   8.004   6.551
  593    H    ALA  78           H        ALA  78   8.228   2.873  11.807
  594    HA   ALA  78           HA       ALA  78   8.583   1.179  13.275
  595   1HB   ALA  78          1HB       ALA  78   6.747   0.514  14.746
  596   2HB   ALA  78          2HB       ALA  78   5.586   1.239  13.633
  597   3HB   ALA  78          3HB       ALA  78   6.737   2.260  14.491
  598    H    ILE  79           H        ILE  79   8.038   0.560  10.477
  599    HA   ILE  79           HA       ILE  79   6.653  -1.989  10.418
  600    HB   ILE  79           HB       ILE  79   8.335  -0.646   8.288
  601   1HG1  ILE  79          2HG1      ILE  79   6.412   0.749   8.845
  602   2HG1  ILE  79          1HG1      ILE  79   6.188   0.024   7.260
  603   1HG2  ILE  79          1HG2      ILE  79   7.224  -2.161   6.720
  604   2HG2  ILE  79          2HG2      ILE  79   6.385  -2.938   8.061
  605   3HG2  ILE  79          3HG2      ILE  79   8.140  -3.049   7.938
  606   1HD1  ILE  79          1HD1      ILE  79   4.121   0.021   8.521
  607   2HD1  ILE  79          2HD1      ILE  79   4.894  -0.857   9.836
  608   3HD1  ILE  79          3HD1      ILE  79   4.676  -1.634   8.268
  609    H    GLN  80           H        GLN  80   7.460  -3.778  10.824
  610    HA   GLN  80           HA       GLN  80  10.326  -4.256  10.506
  611   1HB   GLN  80          2HB       GLN  80  10.022  -3.727  12.848
  612   2HB   GLN  80          1HB       GLN  80   8.702  -4.879  12.969
  613   1HG   GLN  80          2HG       GLN  80  10.257  -6.710  12.551
  614   2HG   GLN  80          1HG       GLN  80  11.578  -5.551  12.405
  615   1HE2  GLN  80          1HE2      GLN  80  11.119  -7.747  14.286
  616   2HE2  GLN  80          2HE2      GLN  80  11.228  -7.022  15.853
  617    H    ALA  81           H        ALA  81   7.086  -5.531  10.986
  618    HA   ALA  81           HA       ALA  81   7.929  -8.191  10.235
  619   1HB   ALA  81          1HB       ALA  81   6.233  -7.914  11.979
  620   2HB   ALA  81          2HB       ALA  81   5.592  -8.804  10.597
  621   3HB   ALA  81          3HB       ALA  81   5.178  -7.107  10.823
  622    H    MET  82           H        MET  82   7.281  -9.257   8.330
  623    HA   MET  82           HA       MET  82   6.505  -7.384   6.250
  624   1HB   MET  82          2HB       MET  82   8.412  -9.688   6.101
  625   2HB   MET  82          1HB       MET  82   7.937  -8.681   4.763
  626   1HG   MET  82          2HG       MET  82   9.040  -6.770   5.617
  627   2HG   MET  82          1HG       MET  82   9.268  -7.518   7.195
  628   1HE   MET  82          1HE       MET  82   9.778  -9.422   3.847
  629   2HE   MET  82          2HE       MET  82  11.468  -9.100   3.469
  630   3HE   MET  82          3HE       MET  82  10.277  -7.797   3.373
  631    HA   PRO  83           HA       PRO  83   5.611  -7.241   4.665
  632   1HB   PRO  83          2HB       PRO  83   3.472  -7.129   3.053
  633   2HB   PRO  83          1HB       PRO  83   4.877  -8.122   2.645
  634   1HG   PRO  83          2HG       PRO  83   2.228  -8.948   3.712
  635   2HG   PRO  83          1HG       PRO  83   3.300  -9.794   2.585
  636   1HD   PRO  83          2HD       PRO  83   3.069 -10.254   5.362
  637   2HD   PRO  83          1HD       PRO  83   4.318 -10.902   4.288
  638    H    THR  84           H        THR  84   4.411  -5.190   5.123
  639    HA   THR  84           HA       THR  84   2.045  -5.604   6.801
  640    HB   THR  84           HB       THR  84   3.960  -3.361   6.915
  641    HG1  THR  84           1HG      THR  84   4.685  -5.452   7.838
  642   1HG2  THR  84          1HG2      THR  84   2.744  -2.701   9.001
  643   2HG2  THR  84          2HG2      THR  84   1.593  -4.000   8.685
  644   3HG2  THR  84          3HG2      THR  84   1.727  -2.649   7.559
  645    H    PHE  85           H        PHE  85   0.185  -4.809   6.006
  646    HA   PHE  85           HA       PHE  85   0.294  -2.998   3.738
  647   1HB   PHE  85          2HB       PHE  85  -1.892  -4.702   4.932
  648   2HB   PHE  85          1HB       PHE  85  -2.050  -3.694   3.511
  649    HD1  PHE  85           1HD      PHE  85  -1.264  -4.467   1.380
  650    HD2  PHE  85           2HD      PHE  85  -0.562  -6.759   4.896
  651    HE1  PHE  85           1HE      PHE  85  -0.613  -6.394  -0.006
  652    HE2  PHE  85           2HE      PHE  85   0.095  -8.680   3.518
  653    HZ   PHE  85           HZ       PHE  85   0.070  -8.497   1.062
  654    H    MET  86           H        MET  86  -0.118  -0.933   4.281
  655    HA   MET  86           HA       MET  86  -1.753  -0.493   6.668
  656   1HB   MET  86          2HB       MET  86   0.521   0.317   6.945
  657   2HB   MET  86          1HB       MET  86   0.348   1.331   5.511
  658   1HG   MET  86          2HG       MET  86  -1.419   2.600   6.632
  659   2HG   MET  86          1HG       MET  86  -1.254   1.580   8.053
  660   1HE   MET  86          1HE       MET  86   1.957   1.206   8.163
  661   2HE   MET  86          2HE       MET  86   0.943   1.509   9.572
  662   3HE   MET  86          3HE       MET  86   2.364   2.504   9.284
  663    H    PHE  87           H        PHE  87  -3.663   0.347   6.363
  664    HA   PHE  87           HA       PHE  87  -4.287   1.526   3.826
  665   1HB   PHE  87          2HB       PHE  87  -5.872   0.372   6.094
  666   2HB   PHE  87          1HB       PHE  87  -6.570   1.142   4.690
  667    HD1  PHE  87           1HD      PHE  87  -4.693  -1.783   5.907
  668    HD2  PHE  87           2HD      PHE  87  -6.722  -0.019   2.616
  669    HE1  PHE  87           1HE      PHE  87  -4.672  -3.946   4.736
  670    HE2  PHE  87           2HE      PHE  87  -6.699  -2.167   1.443
  671    HZ   PHE  87           HZ       PHE  87  -5.678  -4.132   2.495
  672    H    LEU  88           H        LEU  88  -4.259   3.685   3.876
  673    HA   LEU  88           HA       LEU  88  -5.284   4.889   6.245
  674   1HB   LEU  88          2HB       LEU  88  -3.572   6.708   6.183
  675   2HB   LEU  88          1HB       LEU  88  -2.921   5.128   6.540
  676    HG   LEU  88           HG       LEU  88  -2.679   6.439   3.832
  677   1HD1  LEU  88          1HD1      LEU  88  -1.591   7.808   5.553
  678   2HD1  LEU  88          2HD1      LEU  88  -0.392   7.016   4.532
  679   3HD1  LEU  88          3HD1      LEU  88  -0.733   6.385   6.144
  680   1HD2  LEU  88          1HD2      LEU  88  -0.848   4.832   3.532
  681   2HD2  LEU  88          2HD2      LEU  88  -2.364   3.991   3.860
  682   3HD2  LEU  88          3HD2      LEU  88  -1.157   4.171   5.136
  683    H    LYS  89           H        LYS  89  -5.963   7.201   5.767
  684    HA   LYS  89           HA       LYS  89  -6.789   7.387   2.971
  685   1HB   LYS  89          2HB       LYS  89  -8.603   6.356   4.237
  686   2HB   LYS  89          1HB       LYS  89  -8.575   7.704   5.361
  687   1HG   LYS  89          2HG       LYS  89  -9.334   9.205   3.633
  688   2HG   LYS  89          1HG       LYS  89  -9.272   7.907   2.434
  689   1HD   LYS  89          2HD       LYS  89 -10.955   6.671   3.704
  690   2HD   LYS  89          1HD       LYS  89 -11.019   7.960   4.898
  691   1HE   LYS  89          2HE       LYS  89 -11.781   9.516   3.154
  692   2HE   LYS  89          1HE       LYS  89 -11.724   8.200   1.980
  693   1HZ   LYS  89          1HZ       LYS  89 -13.463   8.279   4.388
  694   2HZ   LYS  89          2HZ       LYS  89 -13.405   7.037   3.286
  695   3HZ   LYS  89          3HZ       LYS  89 -13.990   8.530   2.815
  696    H    GLU  90           H        GLU  90  -6.493   9.259   2.139
  697    HA   GLU  90           HA       GLU  90  -6.059  11.244   1.787
  698   1HB   GLU  90          2HB       GLU  90  -7.098  11.756   4.537
  699   2HB   GLU  90          1HB       GLU  90  -6.655  13.101   3.498
  700   1HG   GLU  90          2HG       GLU  90  -8.415  12.430   1.941
  701   2HG   GLU  90          1HG       GLU  90  -8.812  11.054   2.973
  702    H    GLY  91           H        GLY  91  -4.252   9.461   3.401
  703   1HA   GLY  91          2HA       GLY  91  -1.954   9.644   3.960
  704   2HA   GLY  91          1HA       GLY  91  -2.173  11.373   4.181
  705    H    LYS  92           H        LYS  92  -4.705  10.068   5.758
  706    HA   LYS  92           HA       LYS  92  -3.366  10.122   8.372
  707   1HB   LYS  92          2HB       LYS  92  -6.281  10.207   7.569
  708   2HB   LYS  92          1HB       LYS  92  -5.710  10.295   9.224
  709   1HG   LYS  92          2HG       LYS  92  -4.665  12.428   8.820
  710   2HG   LYS  92          1HG       LYS  92  -4.993  12.300   7.093
  711   1HD   LYS  92          2HD       LYS  92  -7.141  12.424   9.219
  712   2HD   LYS  92          1HD       LYS  92  -6.557  13.827   8.324
  713   1HE   LYS  92          2HE       LYS  92  -7.239  12.802   6.231
  714   2HE   LYS  92          1HE       LYS  92  -7.792  11.364   7.063
  715   1HZ   LYS  92          1HZ       LYS  92  -9.505  12.715   8.145
  716   2HZ   LYS  92          2HZ       LYS  92  -9.595  12.845   6.464
  717   3HZ   LYS  92          3HZ       LYS  92  -8.932  14.095   7.362
  718    H    ILE  93           H        ILE  93  -3.210   8.258   9.562
  719    HA   ILE  93           HA       ILE  93  -3.607   5.766   8.238
  720    HB   ILE  93           HB       ILE  93  -2.835   6.279  11.122
  721   1HG1  ILE  93          2HG1      ILE  93  -1.121   5.684   8.697
  722   2HG1  ILE  93          1HG1      ILE  93  -1.249   7.245   9.495
  723   1HG2  ILE  93          1HG2      ILE  93  -2.593   3.748   9.480
  724   2HG2  ILE  93          2HG2      ILE  93  -3.704   4.009  10.821
  725   3HG2  ILE  93          3HG2      ILE  93  -1.962   3.976  11.113
  726   1HD1  ILE  93          1HD1      ILE  93   0.801   6.116  10.132
  727   2HD1  ILE  93          2HD1      ILE  93  -0.123   4.716  10.679
  728   3HD1  ILE  93          3HD1      ILE  93  -0.271   6.253  11.526
  729    H    LEU  94           H        LEU  94  -5.232   4.325   8.273
  730    HA   LEU  94           HA       LEU  94  -7.410   4.774  10.158
  731   1HB   LEU  94          2HB       LEU  94  -7.295   3.372   7.513
  732   2HB   LEU  94          1HB       LEU  94  -8.679   3.300   8.555
  733    HG   LEU  94           HG       LEU  94  -7.584   5.801   7.255
  734   1HD1  LEU  94          1HD1      LEU  94  -9.682   5.708   5.980
  735   2HD1  LEU  94          2HD1      LEU  94 -10.034   4.139   6.718
  736   3HD1  LEU  94          3HD1      LEU  94  -8.637   4.328   5.664
  737   1HD2  LEU  94          1HD2      LEU  94 -10.028   5.375   8.971
  738   2HD2  LEU  94          2HD2      LEU  94  -9.642   6.848   8.095
  739   3HD2  LEU  94          3HD2      LEU  94  -8.601   6.313   9.414
  740    H    ASP  95           H        ASP  95  -5.902   2.041   8.418
  741    HA   ASP  95           HA       ASP  95  -5.666   0.532  10.823
  742   1HB   ASP  95          2HB       ASP  95  -6.904  -1.369   9.786
  743   2HB   ASP  95          1HB       ASP  95  -7.928  -0.135  10.499
  744    H    LYS  96           H        LYS  96  -4.650  -1.512  10.459
  745    HA   LYS  96           HA       LYS  96  -3.280  -1.723   7.907
  746   1HB   LYS  96          2HB       LYS  96  -1.079  -1.951   9.026
  747   2HB   LYS  96          1HB       LYS  96  -1.771  -0.343   9.154
  748   1HG   LYS  96          2HG       LYS  96  -2.488  -0.822  11.433
  749   2HG   LYS  96          1HG       LYS  96  -1.807  -2.445  11.306
  750   1HD   LYS  96          2HD       LYS  96   0.412  -1.502  10.972
  751   2HD   LYS  96          1HD       LYS  96  -0.266   0.126  11.047
  752   1HE   LYS  96          2HE       LYS  96  -0.989  -0.252  13.324
  753   2HE   LYS  96          1HE       LYS  96  -0.387  -1.906  13.265
  754   1HZ   LYS  96          1HZ       LYS  96   1.238   0.542  12.989
  755   2HZ   LYS  96          2HZ       LYS  96   1.838  -1.043  12.976
  756   3HZ   LYS  96          3HZ       LYS  96   1.148  -0.411  14.373
  757    H    VAL  97           H        VAL  97  -2.601  -3.734   7.392
  758    HA   VAL  97           HA       VAL  97  -3.350  -5.898   9.239
  759    HB   VAL  97           HB       VAL  97  -3.329  -5.946   6.195
  760   1HG1  VAL  97          1HG1      VAL  97  -2.771  -8.120   7.148
  761   2HG1  VAL  97          2HG1      VAL  97  -4.372  -8.161   6.412
  762   3HG1  VAL  97          3HG1      VAL  97  -4.210  -8.059   8.165
  763   1HG2  VAL  97          1HG2      VAL  97  -5.193  -4.622   7.046
  764   2HG2  VAL  97          2HG2      VAL  97  -5.673  -5.951   8.101
  765   3HG2  VAL  97          3HG2      VAL  97  -5.774  -6.133   6.351
  766    H    VAL  98           H        VAL  98  -1.622  -6.991   9.928
  767    HA   VAL  98           HA       VAL  98   0.811  -6.713   8.360
  768    HB   VAL  98           HB       VAL  98   0.963  -5.887  10.677
  769   1HG1  VAL  98          1HG1      VAL  98   0.440  -8.719  11.532
  770   2HG1  VAL  98          2HG1      VAL  98  -0.599  -7.319  11.808
  771   3HG1  VAL  98          3HG1      VAL  98   0.979  -7.415  12.590
  772   1HG2  VAL  98          1HG2      VAL  98   2.974  -6.674   9.604
  773   2HG2  VAL  98          2HG2      VAL  98   2.653  -8.319  10.155
  774   3HG2  VAL  98          3HG2      VAL  98   3.018  -7.052  11.326
  775    H    GLY  99           H        GLY  99   1.684  -8.373   7.364
  776   1HA   GLY  99          2HA       GLY  99   2.282 -10.652   7.157
  777   2HA   GLY  99          1HA       GLY  99   0.884 -11.081   8.130
  778    H    ALA 100           H        ALA 100   1.651 -12.000   5.414
  779    HA   ALA 100           HA       ALA 100  -0.260 -10.738   3.672
  780   1HB   ALA 100          1HB       ALA 100   1.794 -11.718   2.751
  781   2HB   ALA 100          2HB       ALA 100   0.363 -12.499   2.077
  782   3HB   ALA 100          3HB       ALA 100   1.296 -13.308   3.335
  783    H    LYS 101           H        LYS 101  -2.299 -10.982   4.164
  784    HA   LYS 101           HA       LYS 101  -3.277 -13.644   4.775
  785   1HB   LYS 101          2HB       LYS 101  -4.270 -10.977   5.744
  786   2HB   LYS 101          1HB       LYS 101  -4.975 -12.548   6.107
  787   1HG   LYS 101          2HG       LYS 101  -2.932 -13.208   7.267
  788   2HG   LYS 101          1HG       LYS 101  -2.197 -11.652   6.872
  789   1HD   LYS 101          2HD       LYS 101  -2.906 -11.749   9.063
  790   2HD   LYS 101          1HD       LYS 101  -3.934 -10.614   8.151
  791   1HE   LYS 101          2HE       LYS 101  -5.298 -11.977   9.709
  792   2HE   LYS 101          1HE       LYS 101  -5.689 -12.360   8.037
  793   1HZ   LYS 101          1HZ       LYS 101  -5.472 -14.345   9.362
  794   2HZ   LYS 101          2HZ       LYS 101  -3.922 -13.921   9.832
  795   3HZ   LYS 101          3HZ       LYS 101  -4.225 -14.325   8.226
  796    H    LYS 102           H        LYS 102  -4.444 -14.228   2.779
  797    HA   LYS 102           HA       LYS 102  -5.182 -12.250   1.024
  798   1HB   LYS 102          2HB       LYS 102  -5.726 -15.148   1.260
  799   2HB   LYS 102          1HB       LYS 102  -6.537 -14.186   0.051
  800   1HG   LYS 102          2HG       LYS 102  -4.289 -13.498  -0.795
  801   2HG   LYS 102          1HG       LYS 102  -3.580 -14.639   0.356
  802   1HD   LYS 102          2HD       LYS 102  -4.746 -16.471  -0.677
  803   2HD   LYS 102          1HD       LYS 102  -5.602 -15.363  -1.746
  804   1HE   LYS 102          2HE       LYS 102  -3.504 -14.731  -2.779
  805   2HE   LYS 102          1HE       LYS 102  -2.628 -15.820  -1.708
  806   1HZ   LYS 102          1HZ       LYS 102  -3.011 -16.803  -3.880
  807   2HZ   LYS 102          2HZ       LYS 102  -4.673 -16.643  -3.720
  808   3HZ   LYS 102          3HZ       LYS 102  -3.835 -17.694  -2.715
  809    H    ASP 103           H        ASP 103  -7.024 -14.294   3.245
  810    HA   ASP 103           HA       ASP 103  -9.553 -13.393   2.367
  811   1HB   ASP 103          2HB       ASP 103  -9.361 -15.576   3.332
  812   2HB   ASP 103          1HB       ASP 103  -8.781 -14.903   4.848
  813    H    GLU 104           H        GLU 104  -7.705 -12.600   5.326
  814    HA   GLU 104           HA       GLU 104  -9.702 -10.808   6.213
  815   1HB   GLU 104          2HB       GLU 104  -8.083 -11.687   7.835
  816   2HB   GLU 104          1HB       GLU 104  -6.775 -10.868   6.989
  817   1HG   GLU 104          2HG       GLU 104  -7.671  -8.714   7.561
  818   2HG   GLU 104          1HG       GLU 104  -9.097  -9.448   8.270
  819    H    LEU 105           H        LEU 105  -7.051 -10.436   4.017
  820    HA   LEU 105           HA       LEU 105  -6.898  -7.642   3.973
  821   1HB   LEU 105          2HB       LEU 105  -5.380  -9.318   2.849
  822   2HB   LEU 105          1HB       LEU 105  -6.608  -9.495   1.649
  823    HG   LEU 105           HG       LEU 105  -6.435  -7.213   0.974
  824   1HD1  LEU 105          1HD1      LEU 105  -5.758  -6.182   3.099
  825   2HD1  LEU 105          2HD1      LEU 105  -4.573  -5.792   1.851
  826   3HD1  LEU 105          3HD1      LEU 105  -4.220  -7.042   3.038
  827   1HD2  LEU 105          1HD2      LEU 105  -4.181  -7.297  -0.025
  828   2HD2  LEU 105          2HD2      LEU 105  -4.996  -8.863  -0.119
  829   3HD2  LEU 105          3HD2      LEU 105  -3.754  -8.587   1.094
  830    H    GLN 106           H        GLN 106  -8.681  -9.898   2.007
  831    HA   GLN 106           HA       GLN 106 -10.236  -8.073   0.518
  832   1HB   GLN 106          2HB       GLN 106 -10.882 -10.887   1.368
  833   2HB   GLN 106          1HB       GLN 106 -11.894  -9.955   0.270
  834   1HG   GLN 106          2HG       GLN 106  -9.012 -10.598  -0.162
  835   2HG   GLN 106          1HG       GLN 106 -10.358 -11.494  -0.881
  836   1HE2  GLN 106          1HE2      GLN 106  -8.576  -8.507  -0.886
  837   2HE2  GLN 106          2HE2      GLN 106  -9.264  -7.896  -2.354
  838    H    SER 107           H        SER 107 -10.807  -9.439   3.654
  839    HA   SER 107           HA       SER 107 -13.433  -8.362   3.921
  840   1HB   SER 107          2HB       SER 107 -11.498  -9.241   6.079
  841   2HB   SER 107          1HB       SER 107 -13.237  -9.002   6.278
  842    HG   SER 107           HG       SER 107 -13.548 -10.640   4.696
  843    H    THR 108           H        THR 108 -10.229  -7.230   4.677
  844    HA   THR 108           HA       THR 108 -11.017  -4.888   6.049
  845    HB   THR 108           HB       THR 108  -8.433  -5.511   4.571
  846    HG1  THR 108           1HG      THR 108  -8.669  -7.015   6.166
  847   1HG2  THR 108          1HG2      THR 108  -7.441  -3.820   6.095
  848   2HG2  THR 108          2HG2      THR 108  -9.022  -3.490   6.782
  849   3HG2  THR 108          3HG2      THR 108  -8.695  -3.095   5.097
  850    H    ILE 109           H        ILE 109 -10.265  -5.655   2.660
  851    HA   ILE 109           HA       ILE 109 -10.470  -3.063   1.615
  852    HB   ILE 109           HB       ILE 109 -11.254  -5.681   0.277
  853   1HG1  ILE 109          2HG1      ILE 109  -8.901  -5.704   0.986
  854   2HG1  ILE 109          1HG1      ILE 109  -9.031  -5.624  -0.763
  855   1HG2  ILE 109          1HG2      ILE 109 -10.897  -4.496  -1.845
  856   2HG2  ILE 109          2HG2      ILE 109 -10.652  -2.997  -0.947
  857   3HG2  ILE 109          3HG2      ILE 109 -12.221  -3.803  -0.904
  858   1HD1  ILE 109          1HD1      ILE 109  -8.433  -3.307   1.062
  859   2HD1  ILE 109          2HD1      ILE 109  -8.529  -3.241  -0.700
  860   3HD1  ILE 109          3HD1      ILE 109  -7.261  -4.184   0.083
  861    H    ALA 110           H        ALA 110 -12.949  -5.585   2.006
  862    HA   ALA 110           HA       ALA 110 -15.080  -3.979   1.087
  863   1HB   ALA 110          1HB       ALA 110 -15.183  -6.441   1.148
  864   2HB   ALA 110          2HB       ALA 110 -16.544  -5.710   1.997
  865   3HB   ALA 110          3HB       ALA 110 -15.197  -6.389   2.910
  866    H    LYS 111           H        LYS 111 -13.603  -4.342   4.201
  867    HA   LYS 111           HA       LYS 111 -15.569  -3.114   5.814
  868   1HB   LYS 111          2HB       LYS 111 -13.414  -4.388   6.439
  869   2HB   LYS 111          1HB       LYS 111 -12.675  -2.855   6.091
  870   1HG   LYS 111          2HG       LYS 111 -13.790  -1.727   7.855
  871   2HG   LYS 111          1HG       LYS 111 -14.798  -3.134   8.197
  872   1HD   LYS 111          2HD       LYS 111 -12.775  -4.408   8.794
  873   2HD   LYS 111          1HD       LYS 111 -11.801  -2.968   8.511
  874   1HE   LYS 111          2HE       LYS 111 -13.072  -1.801  10.274
  875   2HE   LYS 111          1HE       LYS 111 -13.988  -3.275  10.564
  876   1HZ   LYS 111          1HZ       LYS 111 -12.191  -3.035  12.146
  877   2HZ   LYS 111          2HZ       LYS 111 -11.065  -2.943  10.913
  878   3HZ   LYS 111          3HZ       LYS 111 -11.901  -4.387  11.178
  879    H    HIS 112           H        HIS 112 -12.867  -1.908   3.953
  880    HA   HIS 112           HA       HIS 112 -13.300   0.840   4.556
  881   1HB   HIS 112          2HB       HIS 112 -11.654  -0.601   2.517
  882   2HB   HIS 112          1HB       HIS 112 -11.846   1.134   2.448
  883    HD1  HIS 112           1HD      HIS 112 -10.318   2.476   3.902
  884    HD2  HIS 112           2HD      HIS 112 -10.269  -1.533   4.932
  885    HE1  HIS 112           1HE      HIS 112  -8.391   2.191   5.485
  886    HE2  HIS 112           2HE      HIS 112  -8.582  -0.174   6.279
  887    H    LEU 113           H        LEU 113 -14.149  -1.232   1.671
  888    HA   LEU 113           HA       LEU 113 -15.394   0.946   0.440
  889   1HB   LEU 113          2HB       LEU 113 -14.735  -1.838  -0.115
  890   2HB   LEU 113          1HB       LEU 113 -15.965  -1.082  -1.084
  891    HG   LEU 113           HG       LEU 113 -13.857  -1.045  -2.243
  892   1HD1  LEU 113          1HD1      LEU 113 -15.241   0.905  -2.568
  893   2HD1  LEU 113          2HD1      LEU 113 -13.533   1.328  -2.646
  894   3HD1  LEU 113          3HD1      LEU 113 -14.463   1.717  -1.206
  895   1HD2  LEU 113          1HD2      LEU 113 -11.872   0.135  -1.375
  896   2HD2  LEU 113          2HD2      LEU 113 -12.315  -1.257  -0.382
  897   3HD2  LEU 113          3HD2      LEU 113 -12.707   0.373   0.161
  898    H    ALA 114           H        ALA 114 -17.163   1.462   1.704
  899    HA   ALA 114           HA       ALA 114 -19.105  -0.621   2.253
  900   1HB   ALA 114          1HB       ALA 114 -18.655   1.055   3.993
  901   2HB   ALA 114          2HB       ALA 114 -20.333   1.123   3.452
  902   3HB   ALA 114          3HB       ALA 114 -19.179   2.333   2.895
  Start of MODEL    6
    1    H    MET   1           H        MET   1 -14.933   2.145 -18.161
    2    HA   MET   1           HA       MET   1 -13.402   2.445 -16.609
    3   1HB   MET   1          2HB       MET   1 -12.057   0.061 -17.869
    4   2HB   MET   1          1HB       MET   1 -11.357   0.897 -16.494
    5   1HG   MET   1          2HG       MET   1 -13.390   0.426 -15.202
    6   2HG   MET   1          1HG       MET   1 -14.042  -0.454 -16.583
    7   1HE   MET   1          1HE       MET   1 -13.707  -1.635 -13.587
    8   2HE   MET   1          2HE       MET   1 -13.142  -3.262 -13.955
    9   3HE   MET   1          3HE       MET   1 -14.436  -2.541 -14.913
   10    H    ALA   2           H        ALA   2 -12.569   4.266 -16.624
   11    HA   ALA   2           HA       ALA   2 -10.715   5.114 -18.695
   12   1HB   ALA   2          1HB       ALA   2 -12.580   6.572 -18.047
   13   2HB   ALA   2          2HB       ALA   2 -11.045   7.323 -17.633
   14   3HB   ALA   2          3HB       ALA   2 -12.019   6.561 -16.379
   15    H    SER   3           H        SER   3  -9.312   6.949 -17.089
   16    HA   SER   3           HA       SER   3  -7.769   7.313 -15.547
   17   1HB   SER   3          2HB       SER   3  -8.466   4.622 -14.344
   18   2HB   SER   3          1HB       SER   3  -7.471   5.870 -13.590
   19    HG   SER   3           HG       SER   3  -9.312   7.257 -13.776
   20    H    GLU   4           H        GLU   4  -5.652   6.750 -14.920
   21    HA   GLU   4           HA       GLU   4  -4.207   5.212 -16.960
   22   1HB   GLU   4          2HB       GLU   4  -3.836   7.631 -16.743
   23   2HB   GLU   4          1HB       GLU   4  -3.463   7.428 -15.051
   24   1HG   GLU   4          2HG       GLU   4  -1.443   6.215 -15.644
   25   2HG   GLU   4          1HG       GLU   4  -1.839   6.391 -17.357
   26    H    GLU   5           H        GLU   5  -5.506   4.766 -14.156
   27    HA   GLU   5           HA       GLU   5  -3.380   3.720 -12.485
   28   1HB   GLU   5          2HB       GLU   5  -6.366   3.977 -12.196
   29   2HB   GLU   5          1HB       GLU   5  -5.384   3.125 -11.015
   30   1HG   GLU   5          2HG       GLU   5  -5.903   5.460 -10.356
   31   2HG   GLU   5          1HG       GLU   5  -4.179   5.142 -10.459
   32    H    GLY   6           H        GLY   6  -4.599   1.540 -11.354
   33   1HA   GLY   6          2HA       GLY   6  -4.770  -0.729 -11.762
   34   2HA   GLY   6          1HA       GLY   6  -4.527  -0.442 -13.503
   35    H    GLN   7           H        GLN   7  -2.462   1.179 -11.406
   36    HA   GLN   7           HA       GLN   7  -0.520  -0.941 -11.347
   37   1HB   GLN   7          2HB       GLN   7   1.253   0.696 -11.994
   38   2HB   GLN   7          1HB       GLN   7   0.234   0.102 -13.285
   39   1HG   GLN   7          2HG       GLN   7  -1.033   2.221 -13.230
   40   2HG   GLN   7          1HG       GLN   7  -0.040   2.774 -11.886
   41   1HE2  GLN   7          1HE2      GLN   7   0.617   4.567 -13.058
   42   2HE2  GLN   7          2HE2      GLN   7   1.759   4.473 -14.346
   43    H    VAL   8           H        VAL   8   1.012  -0.671  -9.879
   44    HA   VAL   8           HA       VAL   8   0.270   1.069  -7.651
   45    HB   VAL   8           HB       VAL   8   0.317  -1.360  -7.308
   46   1HG1  VAL   8          1HG1      VAL   8   2.435  -2.605  -7.197
   47   2HG1  VAL   8          2HG1      VAL   8   3.259  -1.213  -7.901
   48   3HG1  VAL   8          3HG1      VAL   8   2.022  -2.063  -8.826
   49   1HG2  VAL   8          1HG2      VAL   8   2.423   0.126  -5.772
   50   2HG2  VAL   8          2HG2      VAL   8   1.675  -1.392  -5.259
   51   3HG2  VAL   8          3HG2      VAL   8   0.700   0.072  -5.411
   52    H    ILE   9           H        ILE   9   1.837   2.606  -6.789
   53    HA   ILE   9           HA       ILE   9   4.123   2.757  -8.562
   54    HB   ILE   9           HB       ILE   9   2.955   4.918  -6.774
   55   1HG1  ILE   9          2HG1      ILE   9   2.786   6.151  -8.985
   56   2HG1  ILE   9          1HG1      ILE   9   3.198   4.652  -9.778
   57   1HG2  ILE   9          1HG2      ILE   9   4.689   6.420  -7.658
   58   2HG2  ILE   9          2HG2      ILE   9   5.460   5.046  -8.447
   59   3HG2  ILE   9          3HG2      ILE   9   5.364   5.112  -6.689
   60   1HD1  ILE   9          1HD1      ILE   9   0.740   5.132  -8.095
   61   2HD1  ILE   9          2HD1      ILE   9   1.157   3.616  -8.893
   62   3HD1  ILE   9          3HD1      ILE   9   0.799   5.048  -9.856
   63    H    ALA  10           H        ALA  10   5.901   1.908  -7.934
   64    HA   ALA  10           HA       ALA  10   6.372   1.413  -5.131
   65   1HB   ALA  10          1HB       ALA  10   6.838  -0.364  -6.766
   66   2HB   ALA  10          2HB       ALA  10   8.298   0.117  -5.905
   67   3HB   ALA  10          3HB       ALA  10   8.026   0.673  -7.554
   68    H    CYS  11           H        CYS  11   7.294   2.962  -3.943
   69    HA   CYS  11           HA       CYS  11   8.854   5.003  -5.230
   70   1HB   CYS  11          2HB       CYS  11   8.105   4.624  -2.332
   71   2HB   CYS  11          1HB       CYS  11   8.786   6.044  -3.081
   72    HG   CYS  11           HG       CYS  11   5.825   4.904  -4.258
   73    H    HIS  12           H        HIS  12  11.041   4.987  -5.187
   74    HA   HIS  12           HA       HIS  12  12.228   2.880  -3.570
   75   1HB   HIS  12          2HB       HIS  12  13.288   4.172  -6.093
   76   2HB   HIS  12          1HB       HIS  12  14.195   3.013  -5.126
   77    HD1  HIS  12           1HD      HIS  12  13.710   0.536  -5.523
   78    HD2  HIS  12           2HD      HIS  12  10.966   3.067  -7.365
   79    HE1  HIS  12           1HE      HIS  12  12.311  -0.923  -6.986
   80    HE2  HIS  12           2HE      HIS  12  10.911   0.681  -8.310
   81    H    THR  13           H        THR  13  11.558   5.936  -3.278
   82    HA   THR  13           HA       THR  13  13.952   6.573  -1.739
   83    HB   THR  13           HB       THR  13  13.839   8.905  -2.598
   84    HG1  THR  13           1HG      THR  13  12.644   8.717  -4.874
   85   1HG2  THR  13          1HG2      THR  13  14.291   6.832  -4.761
   86   2HG2  THR  13          2HG2      THR  13  15.497   7.381  -3.598
   87   3HG2  THR  13          3HG2      THR  13  14.864   8.497  -4.812
   88    H    VAL  14           H        VAL  14  13.441   8.193  -0.100
   89    HA   VAL  14           HA       VAL  14  10.712   8.141   0.719
   90    HB   VAL  14           HB       VAL  14  12.580   8.237   2.389
   91   1HG1  VAL  14          1HG1      VAL  14  13.696  10.349   2.892
   92   2HG1  VAL  14          2HG1      VAL  14  12.958  11.064   1.461
   93   3HG1  VAL  14          3HG1      VAL  14  14.095   9.724   1.295
   94   1HG2  VAL  14          1HG2      VAL  14  10.364   8.873   3.128
   95   2HG2  VAL  14          2HG2      VAL  14  10.629  10.530   2.595
   96   3HG2  VAL  14          3HG2      VAL  14  11.572   9.873   3.936
   97    H    GLU  15           H        GLU  15  12.691  10.076  -1.218
   98    HA   GLU  15           HA       GLU  15  11.565  12.601  -1.344
   99   1HB   GLU  15          2HB       GLU  15  13.627  11.861  -2.443
  100   2HB   GLU  15          1HB       GLU  15  12.698  10.852  -3.525
  101   1HG   GLU  15          2HG       GLU  15  11.707  12.840  -4.529
  102   2HG   GLU  15          1HG       GLU  15  12.635  13.858  -3.421
  103    H    THR  16           H        THR  16  10.771   9.745  -3.354
  104    HA   THR  16           HA       THR  16   8.490  10.974  -4.533
  105    HB   THR  16           HB       THR  16   9.213   8.024  -4.407
  106    HG1  THR  16           1HG      THR  16   9.962  10.151  -6.114
  107   1HG2  THR  16          1HG2      THR  16   6.893   8.452  -5.131
  108   2HG2  THR  16          2HG2      THR  16   7.878   7.861  -6.469
  109   3HG2  THR  16          3HG2      THR  16   7.485   9.579  -6.354
  110    H    TRP  17           H        TRP  17   9.034   8.809  -1.844
  111    HA   TRP  17           HA       TRP  17   6.496   7.932  -1.209
  112   1HB   TRP  17          2HB       TRP  17   8.424   7.033  -0.111
  113   2HB   TRP  17          1HB       TRP  17   8.858   8.629   0.489
  114    HD1  TRP  17           HD       TRP  17   8.140   9.191   2.849
  115    HE1  TRP  17           1HE      TRP  17   6.585   8.172   4.580
  116    HE3  TRP  17           3HE      TRP  17   6.041   5.574  -0.053
  117    HZ2  TRP  17           2HZ      TRP  17   4.687   6.075   4.712
  118    HZ3  TRP  17           3HZ      TRP  17   4.360   4.108   0.951
  119    HH2  TRP  17           HH       TRP  17   3.696   4.358   3.298
  120    H    ASN  18           H        ASN  18   8.125  10.800   0.144
  121    HA   ASN  18           HA       ASN  18   5.949  11.717   1.684
  122   1HB   ASN  18          2HB       ASN  18   8.291  12.453   2.005
  123   2HB   ASN  18          1HB       ASN  18   8.215  13.319   0.483
  124   1HD2  ASN  18          1HD2      ASN  18   8.631  15.286   1.449
  125   2HD2  ASN  18          2HD2      ASN  18   7.470  16.128   2.404
  126    H    GLU  19           H        GLU  19   6.985  12.355  -1.548
  127    HA   GLU  19           HA       GLU  19   5.285  14.499  -2.145
  128   1HB   GLU  19          2HB       GLU  19   7.264  13.995  -3.445
  129   2HB   GLU  19          1HB       GLU  19   6.570  12.466  -3.950
  130   1HG   GLU  19          2HG       GLU  19   4.909  13.577  -5.243
  131   2HG   GLU  19          1HG       GLU  19   5.398  15.149  -4.612
  132    H    GLN  20           H        GLN  20   4.818  10.952  -2.651
  133    HA   GLN  20           HA       GLN  20   2.438  11.173  -3.994
  134   1HB   GLN  20          2HB       GLN  20   3.678   9.092  -2.336
  135   2HB   GLN  20          1HB       GLN  20   2.203   8.823  -3.247
  136   1HG   GLN  20          2HG       GLN  20   4.895   9.574  -4.398
  137   2HG   GLN  20          1HG       GLN  20   4.212   7.954  -4.411
  138   1HE2  GLN  20          1HE2      GLN  20   4.315   7.869  -6.639
  139   2HE2  GLN  20          2HE2      GLN  20   3.238   8.748  -7.663
  140    H    LEU  21           H        LEU  21   3.170  10.890  -0.477
  141    HA   LEU  21           HA       LEU  21   0.541  10.630   0.317
  142   1HB   LEU  21          2HB       LEU  21   3.032  11.587   1.533
  143   2HB   LEU  21          1HB       LEU  21   1.568  11.377   2.452
  144    HG   LEU  21           HG       LEU  21   3.219   9.221   1.096
  145   1HD1  LEU  21          1HD1      LEU  21   2.694   9.773   4.010
  146   2HD1  LEU  21          2HD1      LEU  21   4.209  10.052   3.150
  147   3HD1  LEU  21          3HD1      LEU  21   3.608   8.409   3.366
  148   1HD2  LEU  21          1HD2      LEU  21   0.843   8.652   0.949
  149   2HD2  LEU  21          2HD2      LEU  21   0.659   8.945   2.677
  150   3HD2  LEU  21          3HD2      LEU  21   1.660   7.608   2.114
  151    H    GLN  22           H        GLN  22   2.721  13.375   0.043
  152    HA   GLN  22           HA       GLN  22   1.024  15.339   1.013
  153   1HB   GLN  22          2HB       GLN  22   3.411  15.707   0.551
  154   2HB   GLN  22          1HB       GLN  22   3.097  15.586  -1.172
  155   1HG   GLN  22          2HG       GLN  22   1.724  17.599  -1.072
  156   2HG   GLN  22          1HG       GLN  22   2.013  17.722   0.664
  157   1HE2  GLN  22          1HE2      GLN  22   3.000  19.714   0.489
  158   2HE2  GLN  22          2HE2      GLN  22   4.575  19.912  -0.181
  159    H    LYS  23           H        LYS  23   1.358  13.985  -2.227
  160    HA   LYS  23           HA       LYS  23  -0.502  15.727  -3.426
  161   1HB   LYS  23          2HB       LYS  23   1.238  14.435  -4.678
  162   2HB   LYS  23          1HB       LYS  23   0.311  12.973  -4.372
  163   1HG   LYS  23          2HG       LYS  23  -0.144  13.781  -6.607
  164   2HG   LYS  23          1HG       LYS  23  -1.591  13.947  -5.604
  165   1HD   LYS  23          2HD       LYS  23  -1.063  16.315  -5.228
  166   2HD   LYS  23          1HD       LYS  23   0.384  16.140  -6.222
  167   1HE   LYS  23          2HE       LYS  23  -1.061  15.578  -8.135
  168   2HE   LYS  23          1HE       LYS  23  -2.479  15.818  -7.110
  169   1HZ   LYS  23          1HZ       LYS  23  -0.455  17.861  -7.806
  170   2HZ   LYS  23          2HZ       LYS  23  -1.696  18.118  -6.725
  171   3HZ   LYS  23          3HZ       LYS  23  -2.045  17.843  -8.361
  172    H    ALA  24           H        ALA  24  -0.770  12.484  -1.950
  173    HA   ALA  24           HA       ALA  24  -3.439  12.005  -2.687
  174   1HB   ALA  24          1HB       ALA  24  -1.943  10.246  -1.838
  175   2HB   ALA  24          2HB       ALA  24  -3.433  10.333  -0.897
  176   3HB   ALA  24          3HB       ALA  24  -1.945  11.023  -0.254
  177    H    ASN  25           H        ASN  25  -1.991  13.583   0.071
  178    HA   ASN  25           HA       ASN  25  -4.271  14.099   1.646
  179   1HB   ASN  25          2HB       ASN  25  -1.812  14.454   2.214
  180   2HB   ASN  25          1HB       ASN  25  -1.916  15.904   1.277
  181   1HD2  ASN  25          1HD2      ASN  25  -1.502  17.246   3.028
  182   2HD2  ASN  25          2HD2      ASN  25  -2.674  17.563   4.240
  183    H    GLU  26           H        GLU  26  -2.577  15.981  -0.663
  184    HA   GLU  26           HA       GLU  26  -4.125  18.331  -0.749
  185   1HB   GLU  26          2HB       GLU  26  -1.895  18.117  -1.757
  186   2HB   GLU  26          1HB       GLU  26  -2.552  17.041  -2.971
  187   1HG   GLU  26          2HG       GLU  26  -3.948  18.863  -3.824
  188   2HG   GLU  26          1HG       GLU  26  -3.251  19.940  -2.612
  189    H    SER  27           H        SER  27  -4.400  15.345  -2.594
  190    HA   SER  27           HA       SER  27  -6.600  16.349  -4.139
  191   1HB   SER  27          2HB       SER  27  -5.359  13.624  -4.019
  192   2HB   SER  27          1HB       SER  27  -6.455  14.230  -5.264
  193    HG   SER  27           HG       SER  27  -3.787  14.884  -4.741
  194    H    LYS  28           H        LYS  28  -6.319  15.182  -1.053
  195    HA   LYS  28           HA       LYS  28  -7.616  14.201   0.465
  196   1HB   LYS  28          2HB       LYS  28  -9.690  15.239  -1.361
  197   2HB   LYS  28          1HB       LYS  28 -10.128  14.546   0.199
  198   1HG   LYS  28          2HG       LYS  28  -8.629  16.261   1.249
  199   2HG   LYS  28          1HG       LYS  28  -8.459  17.004  -0.340
  200   1HD   LYS  28          2HD       LYS  28 -10.877  17.382  -0.413
  201   2HD   LYS  28          1HD       LYS  28 -11.050  16.605   1.163
  202   1HE   LYS  28          2HE       LYS  28  -9.579  18.327   2.145
  203   2HE   LYS  28          1HE       LYS  28  -9.490  19.110   0.572
  204   1HZ   LYS  28          1HZ       LYS  28 -11.933  18.739   2.197
  205   2HZ   LYS  28          2HZ       LYS  28 -11.891  19.441   0.669
  206   3HZ   LYS  28          3HZ       LYS  28 -11.100  20.186   1.957
  207    H    THR  29           H        THR  29  -6.653  12.549  -1.601
  208    HA   THR  29           HA       THR  29  -8.811  10.640  -2.099
  209    HB   THR  29           HB       THR  29  -6.088  10.584  -3.314
  210    HG1  THR  29           1HG      THR  29  -8.072  12.429  -3.646
  211   1HG2  THR  29          1HG2      THR  29  -8.782   9.593  -4.247
  212   2HG2  THR  29          2HG2      THR  29  -7.480   8.606  -3.580
  213   3HG2  THR  29          3HG2      THR  29  -7.268   9.413  -5.134
  214    H    LEU  30           H        LEU  30  -8.500   8.534  -1.597
  215    HA   LEU  30           HA       LEU  30  -6.931   8.127   0.718
  216   1HB   LEU  30          2HB       LEU  30  -9.232   7.215   0.577
  217   2HB   LEU  30          1HB       LEU  30  -8.790   6.250  -0.799
  218    HG   LEU  30           HG       LEU  30  -7.706   5.726   1.993
  219   1HD1  LEU  30          1HD1      LEU  30 -10.141   5.547   2.003
  220   2HD1  LEU  30          2HD1      LEU  30  -9.391   3.957   2.128
  221   3HD1  LEU  30          3HD1      LEU  30 -10.077   4.492   0.593
  222   1HD2  LEU  30          1HD2      LEU  30  -6.427   4.710   0.146
  223   2HD2  LEU  30          2HD2      LEU  30  -7.908   3.955  -0.451
  224   3HD2  LEU  30          3HD2      LEU  30  -7.254   3.493   1.121
  225    H    VAL  31           H        VAL  31  -5.149   6.684   0.921
  226    HA   VAL  31           HA       VAL  31  -3.984   5.724  -1.554
  227    HB   VAL  31           HB       VAL  31  -2.930   7.868  -0.930
  228   1HG1  VAL  31          1HG1      VAL  31  -2.176   6.523   1.638
  229   2HG1  VAL  31          2HG1      VAL  31  -3.314   7.860   1.455
  230   3HG1  VAL  31          3HG1      VAL  31  -1.599   8.100   1.105
  231   1HG2  VAL  31          1HG2      VAL  31  -1.546   6.222  -2.036
  232   2HG2  VAL  31          2HG2      VAL  31  -1.123   5.505  -0.483
  233   3HG2  VAL  31          3HG2      VAL  31  -0.587   7.140  -0.875
  234    H    VAL  32           H        VAL  32  -2.765   3.819  -1.294
  235    HA   VAL  32           HA       VAL  32  -2.912   2.595   1.353
  236    HB   VAL  32           HB       VAL  32  -4.736   1.771  -0.162
  237   1HG1  VAL  32          1HG1      VAL  32  -4.283   0.302  -1.949
  238   2HG1  VAL  32          2HG1      VAL  32  -2.575   0.730  -1.833
  239   3HG1  VAL  32          3HG1      VAL  32  -3.774   1.967  -2.217
  240   1HG2  VAL  32          1HG2      VAL  32  -2.711  -0.317   0.635
  241   2HG2  VAL  32          2HG2      VAL  32  -4.406  -0.625   0.261
  242   3HG2  VAL  32          3HG2      VAL  32  -3.976   0.342   1.671
  243    H    VAL  33           H        VAL  33  -1.115   1.513   1.963
  244    HA   VAL  33           HA       VAL  33   1.042   1.440  -0.034
  245    HB   VAL  33           HB       VAL  33   1.330   2.119   2.892
  246   1HG1  VAL  33          1HG1      VAL  33   3.250   0.899   2.036
  247   2HG1  VAL  33          2HG1      VAL  33   3.674   2.579   2.348
  248   3HG1  VAL  33          3HG1      VAL  33   3.393   2.030   0.692
  249   1HG2  VAL  33          1HG2      VAL  33   1.634   3.865   0.443
  250   2HG2  VAL  33          2HG2      VAL  33   1.937   4.369   2.107
  251   3HG2  VAL  33          3HG2      VAL  33   0.308   3.934   1.598
  252    H    ASP  34           H        ASP  34   2.152  -0.348  -0.232
  253    HA   ASP  34           HA       ASP  34   1.795  -2.580   1.642
  254   1HB   ASP  34          2HB       ASP  34   1.190  -3.314  -0.511
  255   2HB   ASP  34          1HB       ASP  34   2.486  -2.403  -1.278
  256    H    PHE  35           H        PHE  35   3.491  -2.978   3.003
  257    HA   PHE  35           HA       PHE  35   6.173  -2.244   2.103
  258   1HB   PHE  35          2HB       PHE  35   5.201  -2.957   4.880
  259   2HB   PHE  35          1HB       PHE  35   6.773  -2.419   4.391
  260    HD1  PHE  35           1HD      PHE  35   7.253  -0.082   3.948
  261    HD2  PHE  35           2HD      PHE  35   3.347  -1.343   5.075
  262    HE1  PHE  35           1HE      PHE  35   6.641   2.254   4.436
  263    HE2  PHE  35           2HE      PHE  35   2.729   0.985   5.561
  264    HZ   PHE  35           HZ       PHE  35   4.373   2.787   5.244
  265    H    THR  36           H        THR  36   7.183  -4.052   1.317
  266    HA   THR  36           HA       THR  36   6.926  -6.511   2.797
  267    HB   THR  36           HB       THR  36   4.992  -6.545   1.157
  268    HG1  THR  36           1HG      THR  36   5.467  -8.563   0.336
  269   1HG2  THR  36          1HG2      THR  36   7.198  -6.683  -0.885
  270   2HG2  THR  36          2HG2      THR  36   6.097  -5.331  -0.635
  271   3HG2  THR  36          3HG2      THR  36   5.471  -6.887  -1.203
  272    H    ALA  37           H        ALA  37   8.219  -8.252   1.455
  273    HA   ALA  37           HA       ALA  37  10.649  -7.067   0.326
  274   1HB   ALA  37          1HB       ALA  37  12.039  -8.558   1.690
  275   2HB   ALA  37          2HB       ALA  37  10.596  -9.150   2.512
  276   3HB   ALA  37          3HB       ALA  37  11.096  -7.468   2.707
  277    H    SER  38           H        SER  38  11.487  -8.259  -1.322
  278    HA   SER  38           HA       SER  38   9.799 -10.203  -2.523
  279   1HB   SER  38          2HB       SER  38  11.087  -8.575  -3.840
  280   2HB   SER  38          1HB       SER  38  12.590  -9.308  -3.291
  281    HG   SER  38           HG       SER  38  11.261 -11.287  -4.241
  282    H    TRP  39           H        TRP  39  12.424 -10.418  -0.334
  283    HA   TRP  39           HA       TRP  39  13.051 -13.135  -1.067
  284   1HB   TRP  39          2HB       TRP  39  14.699 -13.022   0.862
  285   2HB   TRP  39          1HB       TRP  39  14.935 -11.838  -0.405
  286    HD1  TRP  39           HD       TRP  39  14.947  -9.422   0.253
  287    HE1  TRP  39           1HE      TRP  39  14.691  -8.107   2.481
  288    HE3  TRP  39           3HE      TRP  39  13.307 -13.209   3.231
  289    HZ2  TRP  39           2HZ      TRP  39  13.889  -8.635   5.119
  290    HZ3  TRP  39           3HZ      TRP  39  12.814 -12.735   5.590
  291    HH2  TRP  39           HH       TRP  39  13.096 -10.496   6.513
  292    H    CYS  40           H        CYS  40  10.659 -11.785   0.645
  293    HA   CYS  40           HA       CYS  40  10.458 -13.988   2.525
  294   1HB   CYS  40          2HB       CYS  40  10.075 -11.893   3.559
  295   2HB   CYS  40          1HB       CYS  40   8.984 -11.354   2.296
  296    H    GLY  41           H        GLY  41   9.189 -15.649   2.105
  297   1HA   GLY  41          2HA       GLY  41   8.155 -16.159  -0.429
  298   2HA   GLY  41          1HA       GLY  41   7.758 -17.075   1.012
  299    HA   PRO  42           HA       PRO  42   3.521 -15.750   1.002
  300   1HB   PRO  42          2HB       PRO  42   3.892 -14.361   3.607
  301   2HB   PRO  42          1HB       PRO  42   2.727 -15.610   3.166
  302   1HG   PRO  42          2HG       PRO  42   4.810 -16.207   4.699
  303   2HG   PRO  42          1HG       PRO  42   4.269 -17.330   3.442
  304   1HD   PRO  42          2HD       PRO  42   6.609 -15.474   3.439
  305   2HD   PRO  42          1HD       PRO  42   6.469 -17.122   2.792
  306    H    CYS  43           H        CYS  43   5.862 -13.405   1.959
  307    HA   CYS  43           HA       CYS  43   4.324 -11.054   1.647
  308   1HB   CYS  43          2HB       CYS  43   7.287 -11.454   1.440
  309   2HB   CYS  43          1HB       CYS  43   6.475  -9.929   1.767
  310    H    ARG  44           H        ARG  44   6.467 -12.891  -0.488
  311    HA   ARG  44           HA       ARG  44   6.340 -11.018  -2.651
  312   1HB   ARG  44          2HB       ARG  44   8.269 -12.495  -2.212
  313   2HB   ARG  44          1HB       ARG  44   7.255 -13.890  -2.503
  314   1HG   ARG  44          2HG       ARG  44   6.995 -13.219  -4.835
  315   2HG   ARG  44          1HG       ARG  44   8.005 -11.798  -4.533
  316   1HD   ARG  44          2HD       ARG  44   9.848 -13.254  -3.850
  317   2HD   ARG  44          1HD       ARG  44   8.850 -14.667  -4.164
  318    HE   ARG  44           HE       ARG  44   8.951 -13.119  -6.469
  319   1HH1  ARG  44          1HH1      ARG  44  11.132 -15.085  -4.444
  320   2HH1  ARG  44          2HH1      ARG  44  12.130 -15.559  -5.729
  321   1HH2  ARG  44          1HH2      ARG  44  10.404 -13.805  -8.259
  322   2HH2  ARG  44          2HH2      ARG  44  11.724 -14.835  -7.895
  323    H    PHE  45           H        PHE  45   4.815 -14.014  -1.716
  324    HA   PHE  45           HA       PHE  45   3.401 -14.549  -4.093
  325   1HB   PHE  45          2HB       PHE  45   3.883 -16.239  -2.388
  326   2HB   PHE  45          1HB       PHE  45   2.847 -15.402  -1.248
  327    HD1  PHE  45           1HD      PHE  45   2.831 -17.176  -4.500
  328    HD2  PHE  45           2HD      PHE  45   0.542 -15.954  -1.104
  329    HE1  PHE  45           1HE      PHE  45   0.947 -18.570  -5.256
  330    HE2  PHE  45           2HE      PHE  45  -1.326 -17.339  -1.868
  331    HZ   PHE  45           HZ       PHE  45  -1.125 -18.650  -3.942
  332    H    ILE  46           H        ILE  46   2.710 -12.395  -1.449
  333    HA   ILE  46           HA       ILE  46  -0.117 -12.234  -2.101
  334    HB   ILE  46           HB       ILE  46   0.761 -12.134   0.278
  335   1HG1  ILE  46          2HG1      ILE  46  -0.729 -10.232   0.997
  336   2HG1  ILE  46          1HG1      ILE  46  -0.961  -9.867  -0.710
  337   1HG2  ILE  46          1HG2      ILE  46   2.677 -10.743  -0.001
  338   2HG2  ILE  46          2HG2      ILE  46   1.542  -9.953   1.110
  339   3HG2  ILE  46          3HG2      ILE  46   1.673  -9.408  -0.560
  340   1HD1  ILE  46          1HD1      ILE  46  -1.919 -12.084  -1.052
  341   2HD1  ILE  46          2HD1      ILE  46  -2.787 -11.188   0.211
  342   3HD1  ILE  46          3HD1      ILE  46  -1.614 -12.438   0.651
  343    H    ALA  47           H        ALA  47   2.803 -10.612  -2.901
  344    HA   ALA  47           HA       ALA  47   1.960  -8.001  -3.246
  345   1HB   ALA  47          1HB       ALA  47   3.990  -7.608  -4.459
  346   2HB   ALA  47          2HB       ALA  47   4.191  -9.327  -4.779
  347   3HB   ALA  47          3HB       ALA  47   4.320  -8.716  -3.132
  348    HA   PRO  48           HA       PRO  48   1.184  -8.915  -8.056
  349   1HB   PRO  48          2HB       PRO  48   0.028 -11.641  -7.721
  350   2HB   PRO  48          1HB       PRO  48   0.981 -10.985  -9.057
  351   1HG   PRO  48          2HG       PRO  48   2.110 -12.653  -7.356
  352   2HG   PRO  48          1HG       PRO  48   2.994 -11.218  -7.903
  353   1HD   PRO  48          2HD       PRO  48   1.572 -11.689  -5.311
  354   2HD   PRO  48          1HD       PRO  48   3.148 -10.925  -5.606
  355    H    PHE  49           H        PHE  49  -0.726 -10.160  -5.417
  356    HA   PHE  49           HA       PHE  49  -3.288  -9.711  -6.557
  357   1HB   PHE  49          2HB       PHE  49  -3.077 -11.297  -4.751
  358   2HB   PHE  49          1HB       PHE  49  -2.382 -10.076  -3.695
  359    HD1  PHE  49           1HD      PHE  49  -3.752  -9.061  -2.150
  360    HD2  PHE  49           2HD      PHE  49  -5.486 -10.755  -5.641
  361    HE1  PHE  49           1HE      PHE  49  -5.996  -8.540  -1.282
  362    HE2  PHE  49           2HE      PHE  49  -7.731 -10.234  -4.778
  363    HZ   PHE  49           HZ       PHE  49  -7.983  -9.130  -2.600
  364    H    PHE  50           H        PHE  50  -1.134  -7.795  -4.560
  365    HA   PHE  50           HA       PHE  50  -2.956  -5.645  -4.065
  366   1HB   PHE  50          2HB       PHE  50  -0.909  -6.163  -2.692
  367   2HB   PHE  50          1HB       PHE  50   0.079  -5.649  -4.045
  368    HD1  PHE  50           1HD      PHE  50   0.616  -3.370  -4.336
  369    HD2  PHE  50           2HD      PHE  50  -2.410  -4.498  -1.565
  370    HE1  PHE  50           1HE      PHE  50   0.578  -1.077  -3.434
  371    HE2  PHE  50           2HE      PHE  50  -2.452  -2.216  -0.671
  372    HZ   PHE  50           HZ       PHE  50  -0.952  -0.500  -1.606
  373    H    ALA  51           H        ALA  51  -0.667  -6.385  -6.579
  374    HA   ALA  51           HA       ALA  51  -0.833  -3.896  -7.933
  375   1HB   ALA  51          1HB       ALA  51  -0.187  -6.626  -9.071
  376   2HB   ALA  51          2HB       ALA  51   0.975  -5.507  -8.362
  377   3HB   ALA  51          3HB       ALA  51   0.136  -5.078  -9.853
  378    H    ASP  52           H        ASP  52  -2.823  -6.753  -7.916
  379    HA   ASP  52           HA       ASP  52  -4.461  -6.094 -10.221
  380   1HB   ASP  52          2HB       ASP  52  -4.196  -8.395  -9.278
  381   2HB   ASP  52          1HB       ASP  52  -5.060  -7.862  -7.875
  382    H    LEU  53           H        LEU  53  -4.758  -5.850  -6.789
  383    HA   LEU  53           HA       LEU  53  -7.219  -4.720  -6.515
  384   1HB   LEU  53          2HB       LEU  53  -4.653  -4.298  -5.069
  385   2HB   LEU  53          1HB       LEU  53  -6.120  -3.600  -4.497
  386    HG   LEU  53           HG       LEU  53  -5.448  -6.500  -4.717
  387   1HD1  LEU  53          1HD1      LEU  53  -5.667  -6.444  -2.279
  388   2HD1  LEU  53          2HD1      LEU  53  -6.027  -4.724  -2.353
  389   3HD1  LEU  53          3HD1      LEU  53  -4.436  -5.304  -2.817
  390   1HD2  LEU  53          1HD2      LEU  53  -7.644  -6.919  -3.669
  391   2HD2  LEU  53          2HD2      LEU  53  -7.795  -6.236  -5.277
  392   3HD2  LEU  53          3HD2      LEU  53  -8.047  -5.212  -3.860
  393    H    ALA  54           H        ALA  54  -4.199  -3.199  -7.435
  394    HA   ALA  54           HA       ALA  54  -4.955  -0.515  -7.297
  395   1HB   ALA  54          1HB       ALA  54  -3.084  -0.074  -8.795
  396   2HB   ALA  54          2HB       ALA  54  -2.996  -1.785  -9.206
  397   3HB   ALA  54          3HB       ALA  54  -2.640  -1.254  -7.562
  398    H    LYS  55           H        LYS  55  -5.538  -2.922  -9.760
  399    HA   LYS  55           HA       LYS  55  -6.540  -1.022 -11.705
  400   1HB   LYS  55          2HB       LYS  55  -5.418  -3.084 -12.383
  401   2HB   LYS  55          1HB       LYS  55  -6.634  -4.039 -11.553
  402   1HG   LYS  55          2HG       LYS  55  -8.322  -3.179 -13.136
  403   2HG   LYS  55          1HG       LYS  55  -7.041  -2.311 -13.987
  404   1HD   LYS  55          2HD       LYS  55  -5.878  -4.424 -14.387
  405   2HD   LYS  55          1HD       LYS  55  -7.167  -5.292 -13.556
  406   1HE   LYS  55          2HE       LYS  55  -8.760  -4.479 -15.239
  407   2HE   LYS  55          1HE       LYS  55  -7.435  -3.660 -16.066
  408   1HZ   LYS  55          1HZ       LYS  55  -7.893  -5.778 -17.099
  409   2HZ   LYS  55          2HZ       LYS  55  -7.669  -6.602 -15.669
  410   3HZ   LYS  55          3HZ       LYS  55  -6.369  -5.815 -16.400
  411    H    LYS  56           H        LYS  56  -7.783  -2.999  -9.171
  412    HA   LYS  56           HA       LYS  56 -10.491  -2.956 -10.081
  413   1HB   LYS  56          2HB       LYS  56  -9.529  -4.796  -8.720
  414   2HB   LYS  56          1HB       LYS  56  -9.390  -3.691  -7.368
  415   1HG   LYS  56          2HG       LYS  56 -11.783  -3.475  -7.237
  416   2HG   LYS  56          1HG       LYS  56 -11.987  -4.471  -8.680
  417   1HD   LYS  56          2HD       LYS  56 -10.892  -6.345  -7.492
  418   2HD   LYS  56          1HD       LYS  56 -10.799  -5.339  -6.048
  419   1HE   LYS  56          2HE       LYS  56 -13.344  -6.162  -7.455
  420   2HE   LYS  56          1HE       LYS  56 -12.704  -6.893  -5.988
  421   1HZ   LYS  56          1HZ       LYS  56 -12.939  -4.739  -4.890
  422   2HZ   LYS  56          2HZ       LYS  56 -14.386  -5.348  -5.428
  423   3HZ   LYS  56          3HZ       LYS  56 -13.670  -4.086  -6.275
  424    H    LEU  57           H        LEU  57  -8.522  -0.961  -7.914
  425    HA   LEU  57           HA       LEU  57 -10.846   0.716  -7.507
  426   1HB   LEU  57          2HB       LEU  57  -8.513   0.201  -5.715
  427   2HB   LEU  57          1HB       LEU  57  -9.727   1.431  -5.448
  428    HG   LEU  57           HG       LEU  57 -10.329  -1.473  -5.694
  429   1HD1  LEU  57          1HD1      LEU  57 -10.014   0.227  -3.179
  430   2HD1  LEU  57          2HD1      LEU  57  -8.931  -1.077  -3.673
  431   3HD1  LEU  57          3HD1      LEU  57 -10.583  -1.438  -3.186
  432   1HD2  LEU  57          1HD2      LEU  57 -12.223  -0.076  -6.162
  433   2HD2  LEU  57          2HD2      LEU  57 -11.971   0.827  -4.666
  434   3HD2  LEU  57          3HD2      LEU  57 -12.459  -0.864  -4.602
  435    HA   PRO  58           HA       PRO  58  -7.855   3.196 -10.067
  436   1HB   PRO  58          2HB       PRO  58  -9.849   4.646 -11.247
  437   2HB   PRO  58          1HB       PRO  58  -9.274   3.095 -11.866
  438   1HG   PRO  58          2HG       PRO  58 -11.645   3.662 -10.119
  439   2HG   PRO  58          1HG       PRO  58 -11.552   2.631 -11.564
  440   1HD   PRO  58          2HD       PRO  58 -11.458   1.489  -9.120
  441   2HD   PRO  58          1HD       PRO  58 -10.399   0.953 -10.433
  442    H    ASN  59           H        ASN  59 -10.335   4.020  -7.770
  443    HA   ASN  59           HA       ASN  59  -9.561   6.847  -7.742
  444   1HB   ASN  59          2HB       ASN  59 -11.991   6.123  -7.549
  445   2HB   ASN  59          1HB       ASN  59 -11.572   5.469  -5.971
  446   1HD2  ASN  59          1HD2      ASN  59 -12.975   6.843  -4.857
  447   2HD2  ASN  59          2HD2      ASN  59 -12.650   8.532  -4.679
  448    H    VAL  60           H        VAL  60  -8.091   4.264  -6.604
  449    HA   VAL  60           HA       VAL  60  -7.322   5.555  -4.089
  450    HB   VAL  60           HB       VAL  60  -7.444   2.574  -4.676
  451   1HG1  VAL  60          1HG1      VAL  60  -6.765   2.263  -2.331
  452   2HG1  VAL  60          2HG1      VAL  60  -6.555   4.011  -2.175
  453   3HG1  VAL  60          3HG1      VAL  60  -5.529   3.097  -3.274
  454   1HG2  VAL  60          1HG2      VAL  60  -9.128   2.499  -2.897
  455   2HG2  VAL  60          2HG2      VAL  60  -9.637   3.528  -4.239
  456   3HG2  VAL  60          3HG2      VAL  60  -9.041   4.256  -2.748
  457    H    LEU  61           H        LEU  61  -5.134   5.938  -3.835
  458    HA   LEU  61           HA       LEU  61  -3.452   5.193  -6.037
  459   1HB   LEU  61          2HB       LEU  61  -3.110   6.980  -3.649
  460   2HB   LEU  61          1HB       LEU  61  -1.778   6.554  -4.685
  461    HG   LEU  61           HG       LEU  61  -2.994   7.681  -6.583
  462   1HD1  LEU  61          1HD1      LEU  61  -5.260   7.536  -5.742
  463   2HD1  LEU  61          2HD1      LEU  61  -4.812   9.207  -6.088
  464   3HD1  LEU  61          3HD1      LEU  61  -4.856   8.632  -4.422
  465   1HD2  LEU  61          1HD2      LEU  61  -2.515   9.964  -5.840
  466   2HD2  LEU  61          2HD2      LEU  61  -1.237   8.839  -5.386
  467   3HD2  LEU  61          3HD2      LEU  61  -2.399   9.389  -4.178
  468    H    PHE  62           H        PHE  62  -2.464   3.321  -5.937
  469    HA   PHE  62           HA       PHE  62  -1.945   2.116  -3.353
  470   1HB   PHE  62          2HB       PHE  62  -1.630   0.995  -6.138
  471   2HB   PHE  62          1HB       PHE  62  -1.287   0.115  -4.684
  472    HD1  PHE  62           1HD      PHE  62  -2.863  -1.297  -3.825
  473    HD2  PHE  62           2HD      PHE  62  -4.172   2.012  -6.151
  474    HE1  PHE  62           1HE      PHE  62  -5.176  -2.046  -3.573
  475    HE2  PHE  62           2HE      PHE  62  -6.499   1.258  -5.910
  476    HZ   PHE  62           HZ       PHE  62  -7.001  -0.775  -4.609
  477    H    LEU  63           H        LEU  63   0.115   1.757  -2.724
  478    HA   LEU  63           HA       LEU  63   2.362   2.552  -4.414
  479   1HB   LEU  63          2HB       LEU  63   1.728   3.533  -1.662
  480   2HB   LEU  63          1HB       LEU  63   3.333   3.643  -2.359
  481    HG   LEU  63           HG       LEU  63   0.993   4.741  -3.822
  482   1HD1  LEU  63          1HD1      LEU  63   2.767   6.168  -1.753
  483   2HD1  LEU  63          2HD1      LEU  63   1.079   5.752  -1.480
  484   3HD1  LEU  63          3HD1      LEU  63   1.502   6.946  -2.708
  485   1HD2  LEU  63          1HD2      LEU  63   3.889   5.511  -3.716
  486   2HD2  LEU  63          2HD2      LEU  63   2.668   6.186  -4.804
  487   3HD2  LEU  63          3HD2      LEU  63   3.128   4.480  -4.913
  488    H    LYS  64           H        LYS  64   4.211   1.500  -4.057
  489    HA   LYS  64           HA       LYS  64   4.016  -0.833  -2.261
  490   1HB   LYS  64          2HB       LYS  64   3.762  -1.170  -4.817
  491   2HB   LYS  64          1HB       LYS  64   5.451  -0.724  -4.924
  492   1HG   LYS  64          2HG       LYS  64   4.352  -3.079  -3.394
  493   2HG   LYS  64          1HG       LYS  64   5.073  -3.149  -4.995
  494   1HD   LYS  64          2HD       LYS  64   7.180  -2.381  -4.085
  495   2HD   LYS  64          1HD       LYS  64   6.449  -2.221  -2.491
  496   1HE   LYS  64          2HE       LYS  64   5.954  -4.581  -2.487
  497   2HE   LYS  64          1HE       LYS  64   6.732  -4.763  -4.059
  498   1HZ   LYS  64          1HZ       LYS  64   8.247  -5.364  -2.301
  499   2HZ   LYS  64          2HZ       LYS  64   8.046  -3.847  -1.563
  500   3HZ   LYS  64          3HZ       LYS  64   8.785  -3.974  -3.083
  501    H    VAL  65           H        VAL  65   5.630  -0.957  -0.833
  502    HA   VAL  65           HA       VAL  65   8.076   0.585  -1.312
  503    HB   VAL  65           HB       VAL  65   6.687   0.002   1.330
  504   1HG1  VAL  65          1HG1      VAL  65   8.436   1.386   2.367
  505   2HG1  VAL  65          2HG1      VAL  65   9.264   1.487   0.813
  506   3HG1  VAL  65          3HG1      VAL  65   9.100  -0.067   1.621
  507   1HG2  VAL  65          1HG2      VAL  65   5.604   1.774   0.063
  508   2HG2  VAL  65          2HG2      VAL  65   7.150   2.600  -0.123
  509   3HG2  VAL  65          3HG2      VAL  65   6.426   2.433   1.479
  510    H    ASP  66           H        ASP  66   9.957  -0.505  -1.093
  511    HA   ASP  66           HA       ASP  66   9.784  -3.306  -0.282
  512   1HB   ASP  66          2HB       ASP  66  10.686  -2.981  -2.527
  513   2HB   ASP  66          1HB       ASP  66  11.885  -1.884  -1.835
  514    H    THR  67           H        THR  67  10.523  -3.795   1.621
  515    HA   THR  67           HA       THR  67  11.752  -1.765   3.183
  516    HB   THR  67           HB       THR  67  10.119  -3.127   4.262
  517    HG1  THR  67           1HG      THR  67  11.268  -3.742   6.131
  518   1HG2  THR  67          1HG2      THR  67  10.441  -5.510   4.742
  519   2HG2  THR  67          2HG2      THR  67  11.903  -5.510   3.745
  520   3HG2  THR  67          3HG2      THR  67  10.322  -5.180   3.020
  521    H    ASP  68           H        ASP  68  13.127  -4.003   1.130
  522    HA   ASP  68           HA       ASP  68  15.575  -4.238   2.657
  523   1HB   ASP  68          2HB       ASP  68  14.964  -6.009   1.063
  524   2HB   ASP  68          1HB       ASP  68  15.039  -4.846  -0.245
  525    H    GLU  69           H        GLU  69  14.464  -2.565  -0.212
  526    HA   GLU  69           HA       GLU  69  16.717  -0.937  -0.507
  527   1HB   GLU  69          2HB       GLU  69  13.909  -0.856  -1.473
  528   2HB   GLU  69          1HB       GLU  69  15.045   0.406  -1.873
  529   1HG   GLU  69          2HG       GLU  69  16.506  -1.295  -2.933
  530   2HG   GLU  69          1HG       GLU  69  15.331  -2.533  -2.510
  531    H    LEU  70           H        LEU  70  13.411  -0.127   0.773
  532    HA   LEU  70           HA       LEU  70  14.490   2.299   1.867
  533   1HB   LEU  70          2HB       LEU  70  11.760   1.234   1.300
  534   2HB   LEU  70          1HB       LEU  70  11.992   2.596   2.358
  535    HG   LEU  70           HG       LEU  70  13.123   3.772   0.419
  536   1HD1  LEU  70          1HD1      LEU  70  12.771   2.978  -1.788
  537   2HD1  LEU  70          2HD1      LEU  70  11.997   1.507  -1.185
  538   3HD1  LEU  70          3HD1      LEU  70  13.711   1.808  -0.866
  539   1HD2  LEU  70          1HD2      LEU  70  11.060   4.358  -0.721
  540   2HD2  LEU  70          2HD2      LEU  70  10.801   4.259   1.022
  541   3HD2  LEU  70          3HD2      LEU  70  10.259   2.953  -0.033
  542    H    LYS  71           H        LYS  71  15.506   0.311   3.116
  543    HA   LYS  71           HA       LYS  71  14.215  -0.989   5.229
  544   1HB   LYS  71          2HB       LYS  71  16.625  -1.112   4.097
  545   2HB   LYS  71          1HB       LYS  71  17.058  -0.020   5.377
  546   1HG   LYS  71          2HG       LYS  71  15.993  -2.836   5.751
  547   2HG   LYS  71          1HG       LYS  71  17.683  -2.393   5.772
  548   1HD   LYS  71          2HD       LYS  71  17.100  -2.648   8.017
  549   2HD   LYS  71          1HD       LYS  71  17.053  -0.907   7.772
  550   1HE   LYS  71          2HE       LYS  71  14.613  -1.034   7.557
  551   2HE   LYS  71          1HE       LYS  71  14.690  -2.781   7.799
  552   1HZ   LYS  71          1HZ       LYS  71  15.582  -0.742   9.766
  553   2HZ   LYS  71          2HZ       LYS  71  15.625  -2.385  10.010
  554   3HZ   LYS  71          3HZ       LYS  71  14.142  -1.606   9.871
  555    H    SER  72           H        SER  72  15.884   2.148   5.028
  556    HA   SER  72           HA       SER  72  15.650   2.895   7.717
  557   1HB   SER  72          2HB       SER  72  16.056   5.213   6.805
  558   2HB   SER  72          1HB       SER  72  17.253   4.006   6.334
  559    HG   SER  72           HG       SER  72  16.764   4.325   4.396
  560    H    VAL  73           H        VAL  73  13.536   3.513   4.975
  561    HA   VAL  73           HA       VAL  73  11.725   5.182   6.415
  562    HB   VAL  73           HB       VAL  73  11.206   3.625   3.858
  563   1HG1  VAL  73          1HG1      VAL  73   9.129   4.328   4.914
  564   2HG1  VAL  73          2HG1      VAL  73   9.417   5.259   3.442
  565   3HG1  VAL  73          3HG1      VAL  73   9.727   5.984   5.022
  566   1HG2  VAL  73          1HG2      VAL  73  12.114   6.475   4.235
  567   2HG2  VAL  73          2HG2      VAL  73  11.707   5.730   2.691
  568   3HG2  VAL  73          3HG2      VAL  73  13.098   5.153   3.612
  569    H    ALA  74           H        ALA  74  11.815   1.757   5.620
  570    HA   ALA  74           HA       ALA  74   9.321   1.085   6.742
  571   1HB   ALA  74          1HB       ALA  74  11.778  -0.636   6.430
  572   2HB   ALA  74          2HB       ALA  74  10.530  -0.392   5.207
  573   3HB   ALA  74          3HB       ALA  74  10.138  -1.216   6.716
  574    H    SER  75           H        SER  75  12.518   1.485   8.089
  575    HA   SER  75           HA       SER  75  11.856   0.447  10.656
  576   1HB   SER  75          2HB       SER  75  14.179   0.568   9.749
  577   2HB   SER  75          1HB       SER  75  14.089   2.324   9.848
  578    HG   SER  75           HG       SER  75  14.473   2.216  11.905
  579    H    ASP  76           H        ASP  76  11.807   3.595   9.104
  580    HA   ASP  76           HA       ASP  76  11.364   5.176  11.410
  581   1HB   ASP  76          2HB       ASP  76  12.179   6.137   9.300
  582   2HB   ASP  76          1HB       ASP  76  10.677   5.695   8.510
  583    H    TRP  77           H        TRP  77   9.181   3.582   9.156
  584    HA   TRP  77           HA       TRP  77   6.893   4.484  10.623
  585   1HB   TRP  77          2HB       TRP  77   7.211   2.772   8.204
  586   2HB   TRP  77          1HB       TRP  77   5.634   2.965   8.972
  587    HD1  TRP  77           HD       TRP  77   8.373   5.117   7.268
  588    HE1  TRP  77           1HE      TRP  77   7.244   7.185   6.249
  589    HE3  TRP  77           3HE      TRP  77   3.599   4.348   8.930
  590    HZ2  TRP  77           2HZ      TRP  77   4.670   8.337   6.143
  591    HZ3  TRP  77           3HZ      TRP  77   1.862   5.982   8.312
  592    HH2  TRP  77           HH       TRP  77   2.388   7.932   6.953
  593    H    ALA  78           H        ALA  78   9.108   2.238  11.118
  594    HA   ALA  78           HA       ALA  78   9.388   0.417  12.320
  595   1HB   ALA  78          1HB       ALA  78   6.891   1.234  13.799
  596   2HB   ALA  78          2HB       ALA  78   8.487   1.935  14.053
  597   3HB   ALA  78          3HB       ALA  78   8.211   0.233  14.412
  598    H    ILE  79           H        ILE  79   8.892  -0.662  10.307
  599    HA   ILE  79           HA       ILE  79   6.580  -2.475  10.565
  600    HB   ILE  79           HB       ILE  79   8.366  -1.945   8.164
  601   1HG1  ILE  79          2HG1      ILE  79   6.963   0.008   8.616
  602   2HG1  ILE  79          1HG1      ILE  79   6.417  -0.802   7.158
  603   1HG2  ILE  79          1HG2      ILE  79   7.485  -4.207   8.128
  604   2HG2  ILE  79          2HG2      ILE  79   6.714  -3.235   6.874
  605   3HG2  ILE  79          3HG2      ILE  79   5.847  -3.596   8.365
  606   1HD1  ILE  79          1HD1      ILE  79   5.128  -0.975   9.881
  607   2HD1  ILE  79          2HD1      ILE  79   4.585  -1.825   8.435
  608   3HD1  ILE  79          3HD1      ILE  79   4.533  -0.064   8.488
  609    H    GLN  80           H        GLN  80   7.239  -4.104  11.835
  610    HA   GLN  80           HA       GLN  80   9.927  -5.162  11.556
  611   1HB   GLN  80          2HB       GLN  80   7.735  -5.917  13.483
  612   2HB   GLN  80          1HB       GLN  80   9.369  -6.539  13.501
  613   1HG   GLN  80          2HG       GLN  80   9.224  -4.936  15.223
  614   2HG   GLN  80          1HG       GLN  80  10.133  -4.166  13.925
  615   1HE2  GLN  80          1HE2      GLN  80   9.616  -2.114  14.666
  616   2HE2  GLN  80          2HE2      GLN  80   8.029  -1.469  14.529
  617    H    ALA  81           H        ALA  81   6.606  -6.034  10.929
  618    HA   ALA  81           HA       ALA  81   7.508  -8.677  10.059
  619   1HB   ALA  81          1HB       ALA  81   5.243  -9.470  10.475
  620   2HB   ALA  81          2HB       ALA  81   4.763  -7.850  10.981
  621   3HB   ALA  81          3HB       ALA  81   5.938  -8.757  11.930
  622    H    MET  82           H        MET  82   7.158  -9.274   8.034
  623    HA   MET  82           HA       MET  82   5.875  -7.325   6.341
  624   1HB   MET  82          2HB       MET  82   7.925  -9.389   5.709
  625   2HB   MET  82          1HB       MET  82   7.082  -8.435   4.500
  626   1HG   MET  82          2HG       MET  82   8.986  -7.284   4.807
  627   2HG   MET  82          1HG       MET  82   7.833  -6.421   5.740
  628   1HE   MET  82          1HE       MET  82  10.834  -8.995   6.057
  629   2HE   MET  82          2HE       MET  82   9.520  -9.825   6.892
  630   3HE   MET  82          3HE       MET  82  10.900  -9.226   7.801
  631    HA   PRO  83           HA       PRO  83   5.068  -7.153   4.554
  632   1HB   PRO  83          2HB       PRO  83   2.976  -7.134   2.904
  633   2HB   PRO  83          1HB       PRO  83   4.409  -8.103   2.538
  634   1HG   PRO  83          2HG       PRO  83   1.744  -8.977   3.510
  635   2HG   PRO  83          1HG       PRO  83   2.912  -9.825   2.487
  636   1HD   PRO  83          2HD       PRO  83   2.515 -10.150   5.279
  637   2HD   PRO  83          1HD       PRO  83   3.792 -10.873   4.282
  638    H    THR  84           H        THR  84   3.964  -5.184   4.914
  639    HA   THR  84           HA       THR  84   1.571  -5.440   6.567
  640    HB   THR  84           HB       THR  84   3.614  -3.316   6.550
  641    HG1  THR  84           1HG      THR  84   3.995  -5.435   7.764
  642   1HG2  THR  84          1HG2      THR  84   2.378  -2.312   8.485
  643   2HG2  THR  84          2HG2      THR  84   1.118  -3.522   8.240
  644   3HG2  THR  84          3HG2      THR  84   1.439  -2.323   6.990
  645    H    PHE  85           H        PHE  85  -0.228  -4.687   5.646
  646    HA   PHE  85           HA       PHE  85   0.036  -2.878   3.395
  647   1HB   PHE  85          2HB       PHE  85  -2.211  -4.642   4.360
  648   2HB   PHE  85          1HB       PHE  85  -2.288  -3.566   2.979
  649    HD1  PHE  85           1HD      PHE  85  -0.983  -4.073   0.955
  650    HD2  PHE  85           2HD      PHE  85  -1.133  -6.754   4.251
  651    HE1  PHE  85           1HE      PHE  85  -0.134  -5.875  -0.477
  652    HE2  PHE  85           2HE      PHE  85  -0.280  -8.561   2.824
  653    HZ   PHE  85           HZ       PHE  85   0.219  -8.121   0.456
  654    H    MET  86           H        MET  86  -0.423  -0.857   3.865
  655    HA   MET  86           HA       MET  86  -1.991  -0.372   6.291
  656   1HB   MET  86          2HB       MET  86   0.289   0.420   6.471
  657   2HB   MET  86          1HB       MET  86   0.087   1.362   4.993
  658   1HG   MET  86          2HG       MET  86  -1.573   2.764   6.123
  659   2HG   MET  86          1HG       MET  86  -1.394   1.800   7.579
  660   1HE   MET  86          1HE       MET  86   2.047   4.377   5.876
  661   2HE   MET  86          2HE       MET  86   0.478   4.239   5.085
  662   3HE   MET  86          3HE       MET  86   1.556   2.846   5.159
  663    H    PHE  87           H        PHE  87  -3.916   0.425   6.037
  664    HA   PHE  87           HA       PHE  87  -4.638   1.638   3.543
  665   1HB   PHE  87          2HB       PHE  87  -6.116   0.369   5.820
  666   2HB   PHE  87          1HB       PHE  87  -6.921   1.188   4.512
  667    HD1  PHE  87           1HD      PHE  87  -7.263   0.065   2.412
  668    HD2  PHE  87           2HD      PHE  87  -4.778  -1.706   5.382
  669    HE1  PHE  87           1HE      PHE  87  -7.217  -2.031   1.122
  670    HE2  PHE  87           2HE      PHE  87  -4.735  -3.805   4.097
  671    HZ   PHE  87           HZ       PHE  87  -5.951  -3.969   1.967
  672    H    LEU  88           H        LEU  88  -4.679   3.762   3.603
  673    HA   LEU  88           HA       LEU  88  -5.477   5.021   6.043
  674   1HB   LEU  88          2HB       LEU  88  -3.651   6.683   5.886
  675   2HB   LEU  88          1HB       LEU  88  -3.075   5.070   6.184
  676    HG   LEU  88           HG       LEU  88  -2.902   6.474   3.507
  677   1HD1  LEU  88          1HD1      LEU  88  -1.570   7.601   5.221
  678   2HD1  LEU  88          2HD1      LEU  88  -0.529   6.761   4.069
  679   3HD1  LEU  88          3HD1      LEU  88  -0.823   6.066   5.662
  680   1HD2  LEU  88          1HD2      LEU  88  -1.269   4.735   2.965
  681   2HD2  LEU  88          2HD2      LEU  88  -2.829   4.013   3.355
  682   3HD2  LEU  88          3HD2      LEU  88  -1.526   3.987   4.539
  683    H    LYS  89           H        LYS  89  -5.987   7.389   5.528
  684    HA   LYS  89           HA       LYS  89  -6.834   7.583   2.741
  685   1HB   LYS  89          2HB       LYS  89  -8.836   6.913   3.940
  686   2HB   LYS  89          1HB       LYS  89  -8.577   8.203   5.116
  687   1HG   LYS  89          2HG       LYS  89  -8.934   9.873   3.394
  688   2HG   LYS  89          1HG       LYS  89  -9.139   8.606   2.187
  689   1HD   LYS  89          2HD       LYS  89 -10.924   9.007   4.590
  690   2HD   LYS  89          1HD       LYS  89 -11.262   9.657   2.990
  691   1HE   LYS  89          2HE       LYS  89 -11.221   7.351   2.099
  692   2HE   LYS  89          1HE       LYS  89 -11.011   6.749   3.744
  693   1HZ   LYS  89          1HZ       LYS  89 -13.338   6.681   3.030
  694   2HZ   LYS  89          2HZ       LYS  89 -13.311   8.337   2.764
  695   3HZ   LYS  89          3HZ       LYS  89 -13.142   7.747   4.327
  696    H    GLU  90           H        GLU  90  -6.324   9.337   1.816
  697    HA   GLU  90           HA       GLU  90  -5.649  11.227   1.352
  698   1HB   GLU  90          2HB       GLU  90  -6.203  12.071   4.174
  699   2HB   GLU  90          1HB       GLU  90  -5.740  13.221   2.939
  700   1HG   GLU  90          2HG       GLU  90  -7.824  12.720   1.743
  701   2HG   GLU  90          1HG       GLU  90  -8.248  11.561   2.992
  702    H    GLY  91           H        GLY  91  -4.138   9.212   3.063
  703   1HA   GLY  91          2HA       GLY  91  -1.821   8.979   3.524
  704   2HA   GLY  91          1HA       GLY  91  -1.678  10.732   3.504
  705    H    LYS  92           H        LYS  92  -4.371   9.815   5.306
  706    HA   LYS  92           HA       LYS  92  -2.948  10.105   7.872
  707   1HB   LYS  92          2HB       LYS  92  -5.912  10.200   7.228
  708   2HB   LYS  92          1HB       LYS  92  -5.165  10.640   8.756
  709   1HG   LYS  92          2HG       LYS  92  -4.150  12.572   7.786
  710   2HG   LYS  92          1HG       LYS  92  -4.644  12.057   6.167
  711   1HD   LYS  92          2HD       LYS  92  -6.997  12.279   6.844
  712   2HD   LYS  92          1HD       LYS  92  -6.473  12.874   8.419
  713   1HE   LYS  92          2HE       LYS  92  -5.441  14.792   7.401
  714   2HE   LYS  92          1HE       LYS  92  -5.769  14.158   5.791
  715   1HZ   LYS  92          1HZ       LYS  92  -8.116  14.371   6.192
  716   2HZ   LYS  92          2HZ       LYS  92  -7.373  15.858   6.416
  717   3HZ   LYS  92          3HZ       LYS  92  -7.861  14.959   7.758
  718    H    ILE  93           H        ILE  93  -2.929   8.333   9.231
  719    HA   ILE  93           HA       ILE  93  -3.390   5.782   8.067
  720    HB   ILE  93           HB       ILE  93  -2.722   6.460  10.950
  721   1HG1  ILE  93          2HG1      ILE  93  -0.895   5.724   8.646
  722   2HG1  ILE  93          1HG1      ILE  93  -1.070   7.338   9.322
  723   1HG2  ILE  93          1HG2      ILE  93  -3.598   4.186  10.716
  724   2HG2  ILE  93          2HG2      ILE  93  -1.873   4.154  11.081
  725   3HG2  ILE  93          3HG2      ILE  93  -2.428   3.858   9.435
  726   1HD1  ILE  93          1HD1      ILE  93  -0.199   6.512  11.463
  727   2HD1  ILE  93          2HD1      ILE  93   0.945   6.275  10.148
  728   3HD1  ILE  93          3HD1      ILE  93   0.002   4.910  10.755
  729    H    LEU  94           H        LEU  94  -5.074   4.429   8.144
  730    HA   LEU  94           HA       LEU  94  -7.218   5.058   9.998
  731   1HB   LEU  94          2HB       LEU  94  -7.229   3.727   7.328
  732   2HB   LEU  94          1HB       LEU  94  -8.629   3.762   8.356
  733    HG   LEU  94           HG       LEU  94  -7.274   6.095   7.005
  734   1HD1  LEU  94          1HD1      LEU  94  -9.455   6.354   5.921
  735   2HD1  LEU  94          2HD1      LEU  94 -10.004   4.872   6.706
  736   3HD1  LEU  94          3HD1      LEU  94  -8.665   4.829   5.546
  737   1HD2  LEU  94          1HD2      LEU  94  -7.973   6.826   9.215
  738   2HD2  LEU  94          2HD2      LEU  94  -9.567   6.126   8.964
  739   3HD2  LEU  94          3HD2      LEU  94  -9.046   7.503   7.990
  740    H    ASP  95           H        ASP  95  -6.042   2.194   8.176
  741    HA   ASP  95           HA       ASP  95  -5.738   0.721  10.577
  742   1HB   ASP  95          2HB       ASP  95  -7.177  -1.105   9.691
  743   2HB   ASP  95          1HB       ASP  95  -8.041   0.226  10.450
  744    H    LYS  96           H        LYS  96  -4.875  -1.407  10.165
  745    HA   LYS  96           HA       LYS  96  -3.721  -1.704   7.554
  746   1HB   LYS  96          2HB       LYS  96  -1.352  -1.783   8.402
  747   2HB   LYS  96          1HB       LYS  96  -2.091  -0.198   8.381
  748   1HG   LYS  96          2HG       LYS  96  -0.792  -0.363  10.363
  749   2HG   LYS  96          1HG       LYS  96  -2.483  -0.439  10.841
  750   1HD   LYS  96          2HD       LYS  96  -2.290  -2.889  11.029
  751   2HD   LYS  96          1HD       LYS  96  -0.588  -2.775  10.573
  752   1HE   LYS  96          2HE       LYS  96  -1.866  -1.537  13.011
  753   2HE   LYS  96          1HE       LYS  96  -0.857  -2.979  12.985
  754   1HZ   LYS  96          1HZ       LYS  96   0.993  -1.591  12.190
  755   2HZ   LYS  96          2HZ       LYS  96   0.408  -1.127  13.680
  756   3HZ   LYS  96          3HZ       LYS  96   0.026  -0.197  12.338
  757    H    VAL  97           H        VAL  97  -2.541  -3.628   7.201
  758    HA   VAL  97           HA       VAL  97  -3.368  -5.813   9.008
  759    HB   VAL  97           HB       VAL  97  -2.698  -6.003   6.054
  760   1HG1  VAL  97          1HG1      VAL  97  -3.909  -8.030   7.925
  761   2HG1  VAL  97          2HG1      VAL  97  -2.281  -8.064   7.250
  762   3HG1  VAL  97          3HG1      VAL  97  -3.677  -8.249   6.190
  763   1HG2  VAL  97          1HG2      VAL  97  -5.417  -6.011   7.352
  764   2HG2  VAL  97          2HG2      VAL  97  -5.091  -6.329   5.651
  765   3HG2  VAL  97          3HG2      VAL  97  -4.753  -4.737   6.333
  766    H    VAL  98           H        VAL  98  -1.661  -6.632  10.051
  767    HA   VAL  98           HA       VAL  98   0.941  -6.314   8.801
  768    HB   VAL  98           HB       VAL  98   0.770  -5.273  10.997
  769   1HG1  VAL  98          1HG1      VAL  98   0.466  -6.560  13.064
  770   2HG1  VAL  98          2HG1      VAL  98   0.077  -7.984  12.095
  771   3HG1  VAL  98          3HG1      VAL  98  -0.965  -6.563  12.033
  772   1HG2  VAL  98          1HG2      VAL  98   2.693  -6.340  12.121
  773   2HG2  VAL  98          2HG2      VAL  98   2.937  -6.162  10.381
  774   3HG2  VAL  98          3HG2      VAL  98   2.510  -7.733  11.057
  775    H    GLY  99           H        GLY  99   1.664  -8.005   7.765
  776   1HA   GLY  99          2HA       GLY  99   2.493 -10.230   7.775
  777   2HA   GLY  99          1HA       GLY  99   1.194 -10.671   8.887
  778    H    ALA 100           H        ALA 100   1.645 -12.117   6.537
  779    HA   ALA 100           HA       ALA 100  -0.323 -11.136   4.625
  780   1HB   ALA 100          1HB       ALA 100   1.451 -13.578   4.518
  781   2HB   ALA 100          2HB       ALA 100   1.796 -12.027   3.760
  782   3HB   ALA 100          3HB       ALA 100   0.418 -12.983   3.220
  783    H    LYS 101           H        LYS 101  -2.325 -11.493   5.215
  784    HA   LYS 101           HA       LYS 101  -3.060 -14.208   5.934
  785   1HB   LYS 101          2HB       LYS 101  -4.313 -11.600   6.694
  786   2HB   LYS 101          1HB       LYS 101  -5.069 -13.159   6.952
  787   1HG   LYS 101          2HG       LYS 101  -4.169 -12.473   9.034
  788   2HG   LYS 101          1HG       LYS 101  -3.038 -13.678   8.434
  789   1HD   LYS 101          2HD       LYS 101  -1.626 -11.966   7.689
  790   2HD   LYS 101          1HD       LYS 101  -2.809 -10.760   8.221
  791   1HE   LYS 101          2HE       LYS 101  -1.355 -12.724   9.988
  792   2HE   LYS 101          1HE       LYS 101  -0.989 -11.002   9.874
  793   1HZ   LYS 101          1HZ       LYS 101  -3.478 -12.239  10.890
  794   2HZ   LYS 101          2HZ       LYS 101  -3.345 -10.614  10.585
  795   3HZ   LYS 101          3HZ       LYS 101  -2.372 -11.332  11.789
  796    H    LYS 102           H        LYS 102  -4.306 -15.067   4.347
  797    HA   LYS 102           HA       LYS 102  -4.865 -13.549   2.071
  798   1HB   LYS 102          2HB       LYS 102  -4.322 -15.943   2.080
  799   2HB   LYS 102          1HB       LYS 102  -5.843 -16.256   2.901
  800   1HG   LYS 102          2HG       LYS 102  -7.074 -15.494   1.010
  801   2HG   LYS 102          1HG       LYS 102  -5.579 -15.036   0.184
  802   1HD   LYS 102          2HD       LYS 102  -4.847 -17.386   0.213
  803   2HD   LYS 102          1HD       LYS 102  -6.353 -17.837   1.011
  804   1HE   LYS 102          2HE       LYS 102  -6.138 -16.576  -1.722
  805   2HE   LYS 102          1HE       LYS 102  -6.374 -18.294  -1.407
  806   1HZ   LYS 102          1HZ       LYS 102  -8.235 -16.133  -0.595
  807   2HZ   LYS 102          2HZ       LYS 102  -8.482 -17.758  -0.339
  808   3HZ   LYS 102          3HZ       LYS 102  -8.460 -17.144  -1.916
  809    H    ASP 103           H        ASP 103  -6.883 -14.964   4.631
  810    HA   ASP 103           HA       ASP 103  -9.352 -13.945   3.610
  811   1HB   ASP 103          2HB       ASP 103  -9.337 -15.987   4.923
  812   2HB   ASP 103          1HB       ASP 103  -8.670 -15.128   6.305
  813    H    GLU 104           H        GLU 104  -7.318 -13.049   6.354
  814    HA   GLU 104           HA       GLU 104  -8.959 -10.967   7.317
  815   1HB   GLU 104          2HB       GLU 104  -7.261 -12.012   8.708
  816   2HB   GLU 104          1HB       GLU 104  -5.991 -11.398   7.672
  817   1HG   GLU 104          2HG       GLU 104  -6.498  -9.129   8.373
  818   2HG   GLU 104          1HG       GLU 104  -7.835  -9.716   9.360
  819    H    LEU 105           H        LEU 105  -6.548 -10.976   4.795
  820    HA   LEU 105           HA       LEU 105  -6.272  -8.181   4.555
  821   1HB   LEU 105          2HB       LEU 105  -4.857  -9.927   3.437
  822   2HB   LEU 105          1HB       LEU 105  -6.192 -10.238   2.386
  823    HG   LEU 105           HG       LEU 105  -6.137  -8.021   1.455
  824   1HD1  LEU 105          1HD1      LEU 105  -4.277  -6.474   1.962
  825   2HD1  LEU 105          2HD1      LEU 105  -3.744  -7.557   3.246
  826   3HD1  LEU 105          3HD1      LEU 105  -5.312  -6.754   3.361
  827   1HD2  LEU 105          1HD2      LEU 105  -4.802  -9.751   0.396
  828   2HD2  LEU 105          2HD2      LEU 105  -3.432  -9.349   1.435
  829   3HD2  LEU 105          3HD2      LEU 105  -4.012  -8.185   0.244
  830    H    GLN 106           H        GLN 106  -8.253 -10.531   2.946
  831    HA   GLN 106           HA       GLN 106  -9.851  -8.866   1.339
  832   1HB   GLN 106          2HB       GLN 106 -10.738 -11.391   2.746
  833   2HB   GLN 106          1HB       GLN 106 -11.617 -10.603   1.454
  834   1HG   GLN 106          2HG       GLN 106  -8.895 -11.857   1.245
  835   2HG   GLN 106          1HG       GLN 106 -10.409 -12.552   0.681
  836   1HE2  GLN 106          1HE2      GLN 106  -8.068 -12.000  -0.801
  837   2HE2  GLN 106          2HE2      GLN 106  -8.482 -10.879  -2.052
  838    H    SER 107           H        SER 107 -10.276  -9.736   4.719
  839    HA   SER 107           HA       SER 107 -12.781  -8.493   5.076
  840   1HB   SER 107          2HB       SER 107 -10.584  -8.936   7.105
  841   2HB   SER 107          1HB       SER 107 -12.292  -8.664   7.462
  842    HG   SER 107           HG       SER 107 -12.476 -10.709   7.303
  843    H    THR 108           H        THR 108  -9.503  -7.294   5.327
  844    HA   THR 108           HA       THR 108 -10.256  -4.748   6.346
  845    HB   THR 108           HB       THR 108  -7.678  -5.566   4.977
  846    HG1  THR 108           1HG      THR 108  -8.050  -6.940   6.775
  847   1HG2  THR 108          1HG2      THR 108  -8.319  -3.381   6.985
  848   2HG2  THR 108          2HG2      THR 108  -7.969  -3.133   5.277
  849   3HG2  THR 108          3HG2      THR 108  -6.715  -3.748   6.354
  850    H    ILE 109           H        ILE 109  -9.728  -6.169   3.172
  851    HA   ILE 109           HA       ILE 109  -9.817  -3.718   1.762
  852    HB   ILE 109           HB       ILE 109 -10.415  -6.525   0.771
  853   1HG1  ILE 109          2HG1      ILE 109  -7.888  -4.870   0.588
  854   2HG1  ILE 109          1HG1      ILE 109  -8.138  -6.214   1.694
  855   1HG2  ILE 109          1HG2      ILE 109  -9.977  -5.585  -1.465
  856   2HG2  ILE 109          2HG2      ILE 109  -9.811  -3.979  -0.748
  857   3HG2  ILE 109          3HG2      ILE 109 -11.366  -4.811  -0.699
  858   1HD1  ILE 109          1HD1      ILE 109  -8.352  -7.731  -0.193
  859   2HD1  ILE 109          2HD1      ILE 109  -6.817  -6.852  -0.239
  860   3HD1  ILE 109          3HD1      ILE 109  -8.139  -6.377  -1.304
  861    H    ALA 110           H        ALA 110 -12.255  -6.170   2.624
  862    HA   ALA 110           HA       ALA 110 -14.451  -4.966   1.317
  863   1HB   ALA 110          1HB       ALA 110 -14.465  -7.291   2.156
  864   2HB   ALA 110          2HB       ALA 110 -15.835  -6.359   2.765
  865   3HB   ALA 110          3HB       ALA 110 -14.452  -6.679   3.807
  866    H    LYS 111           H        LYS 111 -12.940  -4.373   4.334
  867    HA   LYS 111           HA       LYS 111 -14.799  -2.780   5.663
  868   1HB   LYS 111          2HB       LYS 111 -12.565  -3.715   6.406
  869   2HB   LYS 111          1HB       LYS 111 -11.908  -2.404   5.484
  870   1HG   LYS 111          2HG       LYS 111 -12.872  -0.732   6.875
  871   2HG   LYS 111          1HG       LYS 111 -13.748  -1.948   7.804
  872   1HD   LYS 111          2HD       LYS 111 -11.635  -2.897   8.576
  873   2HD   LYS 111          1HD       LYS 111 -10.747  -1.701   7.630
  874   1HE   LYS 111          2HE       LYS 111 -12.661  -1.071   9.877
  875   2HE   LYS 111          1HE       LYS 111 -10.903  -1.103  10.015
  876   1HZ   LYS 111          1HZ       LYS 111 -11.784   1.136   9.706
  877   2HZ   LYS 111          2HZ       LYS 111 -12.409   0.714   8.190
  878   3HZ   LYS 111          3HZ       LYS 111 -10.736   0.690   8.474
  879    H    HIS 112           H        HIS 112 -12.347  -1.992   3.275
  880    HA   HIS 112           HA       HIS 112 -13.240   0.778   3.151
  881   1HB   HIS 112          2HB       HIS 112 -10.838  -0.638   2.047
  882   2HB   HIS 112          1HB       HIS 112 -11.244   1.025   1.687
  883    HD1  HIS 112           1HD      HIS 112 -10.858   2.771   3.624
  884    HD2  HIS 112           2HD      HIS 112  -9.778  -1.133   4.577
  885    HE1  HIS 112           1HE      HIS 112  -9.441   2.945   5.662
  886    HE2  HIS 112           2HE      HIS 112  -9.019   0.542   6.358
  887    H    LEU 113           H        LEU 113 -14.252  -2.036   1.644
  888    HA   LEU 113           HA       LEU 113 -14.045  -1.271  -1.026
  889   1HB   LEU 113          2HB       LEU 113 -14.070  -3.520  -0.071
  890   2HB   LEU 113          1HB       LEU 113 -15.723  -3.231   0.423
  891    HG   LEU 113           HG       LEU 113 -15.353  -4.690  -1.446
  892   1HD1  LEU 113          1HD1      LEU 113 -17.564  -3.644  -1.213
  893   2HD1  LEU 113          2HD1      LEU 113 -17.178  -3.774  -2.925
  894   3HD1  LEU 113          3HD1      LEU 113 -17.007  -2.222  -2.097
  895   1HD2  LEU 113          1HD2      LEU 113 -14.878  -3.752  -3.706
  896   2HD2  LEU 113          2HD2      LEU 113 -13.532  -3.647  -2.573
  897   3HD2  LEU 113          3HD2      LEU 113 -14.503  -2.219  -2.925
  898    H    ALA 114           H        ALA 114 -15.315   0.075  -2.075
  899    HA   ALA 114           HA       ALA 114 -18.059   0.485  -1.223
  900   1HB   ALA 114          1HB       ALA 114 -17.829   2.913  -1.599
  901   2HB   ALA 114          2HB       ALA 114 -16.105   2.709  -1.892
  902   3HB   ALA 114          3HB       ALA 114 -16.771   2.373  -0.297
  Start of MODEL    7
    1    H    MET   1           H        MET   1 -11.019   7.458 -22.144
    2    HA   MET   1           HA       MET   1  -9.375   7.247 -20.623
    3   1HB   MET   1          2HB       MET   1 -11.267   6.881 -19.106
    4   2HB   MET   1          1HB       MET   1 -11.231   5.164 -19.449
    5   1HG   MET   1          2HG       MET   1  -9.022   5.006 -18.394
    6   2HG   MET   1          1HG       MET   1  -9.077   6.731 -18.037
    7   1HE   MET   1          1HE       MET   1  -8.641   6.227 -15.429
    8   2HE   MET   1          2HE       MET   1  -8.552   4.507 -15.815
    9   3HE   MET   1          3HE       MET   1  -9.586   5.064 -14.499
   10    H    ALA   2           H        ALA   2  -7.815   6.528 -22.062
   11    HA   ALA   2           HA       ALA   2  -7.180   3.686 -21.774
   12   1HB   ALA   2          1HB       ALA   2  -6.544   5.453 -24.144
   13   2HB   ALA   2          2HB       ALA   2  -7.813   4.229 -24.079
   14   3HB   ALA   2          3HB       ALA   2  -6.124   3.749 -23.972
   15    H    SER   3           H        SER   3  -5.805   3.729 -20.164
   16    HA   SER   3           HA       SER   3  -3.191   4.813 -20.563
   17   1HB   SER   3          2HB       SER   3  -4.879   5.711 -18.183
   18   2HB   SER   3          1HB       SER   3  -3.175   6.091 -18.441
   19    HG   SER   3           HG       SER   3  -4.515   6.761 -20.607
   20    H    GLU   4           H        GLU   4  -1.864   4.066 -18.384
   21    HA   GLU   4           HA       GLU   4  -2.477   1.357 -18.112
   22   1HB   GLU   4          2HB       GLU   4  -0.537   1.360 -16.571
   23   2HB   GLU   4          1HB       GLU   4  -0.148   1.941 -18.178
   24   1HG   GLU   4          2HG       GLU   4  -0.584   3.683 -15.739
   25   2HG   GLU   4          1HG       GLU   4   0.988   3.139 -16.303
   26    H    GLU   5           H        GLU   5  -3.888   0.541 -16.813
   27    HA   GLU   5           HA       GLU   5  -4.579   1.974 -14.338
   28   1HB   GLU   5          2HB       GLU   5  -6.192   1.917 -16.450
   29   2HB   GLU   5          1HB       GLU   5  -6.497   0.272 -15.950
   30   1HG   GLU   5          2HG       GLU   5  -6.987   2.711 -14.250
   31   2HG   GLU   5          1HG       GLU   5  -8.208   1.902 -15.220
   32    H    GLY   6           H        GLY   6  -5.398   0.225 -12.575
   33   1HA   GLY   6          2HA       GLY   6  -4.924  -1.690 -11.502
   34   2HA   GLY   6          1HA       GLY   6  -4.310  -2.405 -13.009
   35    H    GLN   7           H        GLN   7  -3.173   0.640 -11.880
   36    HA   GLN   7           HA       GLN   7  -0.530  -0.552 -11.762
   37   1HB   GLN   7          2HB       GLN   7   0.334   1.702 -11.750
   38   2HB   GLN   7          1HB       GLN   7  -0.630   1.304 -13.157
   39   1HG   GLN   7          2HG       GLN   7  -2.501   2.602 -12.252
   40   2HG   GLN   7          1HG       GLN   7  -1.611   2.864 -10.754
   41   1HE2  GLN   7          1HE2      GLN   7  -1.937   3.762 -14.075
   42   2HE2  GLN   7          2HE2      GLN   7  -0.936   5.159 -13.993
   43    H    VAL   8           H        VAL   8   0.744  -0.436 -10.279
   44    HA   VAL   8           HA       VAL   8   0.006   0.635  -7.627
   45    HB   VAL   8           HB       VAL   8   1.843  -1.709  -8.204
   46   1HG1  VAL   8          1HG1      VAL   8   0.752  -0.641  -5.614
   47   2HG1  VAL   8          2HG1      VAL   8   2.423  -0.552  -6.172
   48   3HG1  VAL   8          3HG1      VAL   8   1.694  -2.122  -5.785
   49   1HG2  VAL   8          1HG2      VAL   8  -0.977  -1.769  -7.136
   50   2HG2  VAL   8          2HG2      VAL   8   0.096  -3.163  -7.263
   51   3HG2  VAL   8          3HG2      VAL   8  -0.455  -2.336  -8.720
   52    H    ILE   9           H        ILE   9   1.497   2.223  -6.893
   53    HA   ILE   9           HA       ILE   9   3.711   2.698  -8.686
   54    HB   ILE   9           HB       ILE   9   2.773   4.261  -6.275
   55   1HG1  ILE   9          2HG1      ILE   9   1.220   4.369  -8.160
   56   2HG1  ILE   9          1HG1      ILE   9   2.056   5.903  -7.941
   57   1HG2  ILE   9          1HG2      ILE   9   4.929   4.969  -8.275
   58   2HG2  ILE   9          2HG2      ILE   9   5.189   4.548  -6.586
   59   3HG2  ILE   9          3HG2      ILE   9   4.325   6.031  -7.000
   60   1HD1  ILE   9          1HD1      ILE   9   3.537   5.367  -9.805
   61   2HD1  ILE   9          2HD1      ILE   9   1.843   5.355 -10.290
   62   3HD1  ILE   9          3HD1      ILE   9   2.692   3.834 -10.041
   63    H    ALA  10           H        ALA  10   5.507   1.628  -8.404
   64    HA   ALA  10           HA       ALA  10   6.241   0.591  -5.806
   65   1HB   ALA  10          1HB       ALA  10   6.489  -0.851  -7.779
   66   2HB   ALA  10          2HB       ALA  10   8.046  -0.546  -7.009
   67   3HB   ALA  10          3HB       ALA  10   7.609   0.314  -8.484
   68    H    CYS  11           H        CYS  11   7.360   1.804  -4.444
   69    HA   CYS  11           HA       CYS  11   8.926   3.973  -5.524
   70   1HB   CYS  11          2HB       CYS  11   8.146   3.535  -2.669
   71   2HB   CYS  11          1HB       CYS  11   8.705   4.955  -3.472
   72    HG   CYS  11           HG       CYS  11   5.761   3.653  -4.541
   73    H    HIS  12           H        HIS  12  11.056   3.811  -5.379
   74    HA   HIS  12           HA       HIS  12  12.232   1.951  -3.423
   75   1HB   HIS  12          2HB       HIS  12  13.265   2.651  -6.181
   76   2HB   HIS  12          1HB       HIS  12  14.158   1.712  -4.995
   77    HD1  HIS  12           1HD      HIS  12  13.607  -0.717  -4.777
   78    HD2  HIS  12           2HD      HIS  12  11.017   1.296  -7.317
   79    HE1  HIS  12           1HE      HIS  12  12.273  -2.509  -5.952
   80    HE2  HIS  12           2HE      HIS  12  11.074  -1.233  -7.748
   81    H    THR  13           H        THR  13  11.559   4.981  -3.787
   82    HA   THR  13           HA       THR  13  14.103   5.884  -2.700
   83    HB   THR  13           HB       THR  13  13.780   8.057  -4.008
   84    HG1  THR  13           1HG      THR  13  12.578   6.841  -6.076
   85   1HG2  THR  13          1HG2      THR  13  15.544   6.462  -4.592
   86   2HG2  THR  13          2HG2      THR  13  14.855   7.176  -6.051
   87   3HG2  THR  13          3HG2      THR  13  14.402   5.543  -5.567
   88    H    VAL  14           H        VAL  14  13.945   7.545  -1.187
   89    HA   VAL  14           HA       VAL  14  11.430   7.635   0.115
   90    HB   VAL  14           HB       VAL  14  13.533   7.667   1.423
   91   1HG1  VAL  14          1HG1      VAL  14  14.963   8.962   0.031
   92   2HG1  VAL  14          2HG1      VAL  14  14.880   9.713   1.625
   93   3HG1  VAL  14          3HG1      VAL  14  13.976  10.400   0.274
   94   1HG2  VAL  14          1HG2      VAL  14  11.851  10.135   1.856
   95   2HG2  VAL  14          2HG2      VAL  14  12.950   9.434   3.042
   96   3HG2  VAL  14          3HG2      VAL  14  11.537   8.525   2.505
   97    H    GLU  15           H        GLU  15  13.049   9.592  -2.186
   98    HA   GLU  15           HA       GLU  15  11.674  12.021  -2.009
   99   1HB   GLU  15          2HB       GLU  15  13.585  11.688  -3.487
  100   2HB   GLU  15          1HB       GLU  15  12.689  10.516  -4.422
  101   1HG   GLU  15          2HG       GLU  15  12.801  12.602  -5.620
  102   2HG   GLU  15          1HG       GLU  15  11.141  12.261  -5.152
  103    H    THR  16           H        THR  16  10.960   9.148  -3.942
  104    HA   THR  16           HA       THR  16   8.501  10.064  -4.943
  105    HB   THR  16           HB       THR  16   9.425   7.194  -4.580
  106    HG1  THR  16           1HG      THR  16  10.881   7.964  -5.909
  107   1HG2  THR  16          1HG2      THR  16   7.010   7.382  -5.088
  108   2HG2  THR  16          2HG2      THR  16   7.894   6.708  -6.457
  109   3HG2  THR  16          3HG2      THR  16   7.385   8.394  -6.483
  110    H    TRP  17           H        TRP  17   9.308   8.023  -2.171
  111    HA   TRP  17           HA       TRP  17   6.781   7.409  -1.216
  112   1HB   TRP  17          2HB       TRP  17   8.712   6.345  -0.284
  113   2HB   TRP  17          1HB       TRP  17   9.402   7.894   0.180
  114    HD1  TRP  17           HD       TRP  17   9.048   8.591   2.607
  115    HE1  TRP  17           1HE      TRP  17   7.559   7.827   4.539
  116    HE3  TRP  17           3HE      TRP  17   6.154   5.244   0.092
  117    HZ2  TRP  17           2HZ      TRP  17   5.425   6.027   4.959
  118    HZ3  TRP  17           3HZ      TRP  17   4.407   4.054   1.324
  119    HH2  TRP  17           HH       TRP  17   4.050   4.433   3.711
  120    H    ASN  18           H        ASN  18   8.837  10.150  -0.325
  121    HA   ASN  18           HA       ASN  18   7.057  11.357   1.494
  122   1HB   ASN  18          2HB       ASN  18   9.535  11.738   1.338
  123   2HB   ASN  18          1HB       ASN  18   9.264  12.633  -0.142
  124   1HD2  ASN  18          1HD2      ASN  18  10.545  13.512   2.248
  125   2HD2  ASN  18          2HD2      ASN  18   9.643  14.855   2.847
  126    H    GLU  19           H        GLU  19   7.749  11.996  -1.928
  127    HA   GLU  19           HA       GLU  19   6.071  14.209  -2.177
  128   1HB   GLU  19          2HB       GLU  19   7.857  13.652  -3.772
  129   2HB   GLU  19          1HB       GLU  19   6.936  12.259  -4.305
  130   1HG   GLU  19          2HG       GLU  19   5.164  13.720  -5.104
  131   2HG   GLU  19          1HG       GLU  19   6.079  15.126  -4.557
  132    H    GLN  20           H        GLN  20   5.393  10.700  -2.875
  133    HA   GLN  20           HA       GLN  20   2.905  11.126  -3.894
  134   1HB   GLN  20          2HB       GLN  20   4.269   8.902  -2.583
  135   2HB   GLN  20          1HB       GLN  20   2.614   8.725  -3.131
  136   1HG   GLN  20          2HG       GLN  20   5.011   9.416  -4.851
  137   2HG   GLN  20          1HG       GLN  20   4.268   7.826  -4.749
  138   1HE2  GLN  20          1HE2      GLN  20   3.813   7.770  -6.917
  139   2HE2  GLN  20          2HE2      GLN  20   2.576   8.734  -7.649
  140    H    LEU  21           H        LEU  21   3.967  10.691  -0.452
  141    HA   LEU  21           HA       LEU  21   1.357  10.477   0.448
  142   1HB   LEU  21          2HB       LEU  21   3.957  11.172   1.585
  143   2HB   LEU  21          1HB       LEU  21   2.528  11.101   2.569
  144    HG   LEU  21           HG       LEU  21   3.920   8.835   1.120
  145   1HD1  LEU  21          1HD1      LEU  21   4.990   9.547   3.178
  146   2HD1  LEU  21          2HD1      LEU  21   4.269   7.952   3.365
  147   3HD1  LEU  21          3HD1      LEU  21   3.467   9.368   4.049
  148   1HD2  LEU  21          1HD2      LEU  21   1.496   8.482   1.001
  149   2HD2  LEU  21          2HD2      LEU  21   1.370   8.734   2.741
  150   3HD2  LEU  21          3HD2      LEU  21   2.244   7.335   2.115
  151    H    GLN  22           H        GLN  22   3.633  13.121   0.130
  152    HA   GLN  22           HA       GLN  22   2.089  15.066   1.373
  153   1HB   GLN  22          2HB       GLN  22   4.468  15.354   0.718
  154   2HB   GLN  22          1HB       GLN  22   3.973  15.432  -0.967
  155   1HG   GLN  22          2HG       GLN  22   2.673  17.442  -0.478
  156   2HG   GLN  22          1HG       GLN  22   3.217  17.385   1.196
  157   1HE2  GLN  22          1HE2      GLN  22   4.068  18.103  -2.053
  158   2HE2  GLN  22          2HE2      GLN  22   5.595  18.832  -1.742
  159    H    LYS  23           H        LYS  23   2.231  13.986  -1.977
  160    HA   LYS  23           HA       LYS  23   0.376  15.771  -3.070
  161   1HB   LYS  23          2HB       LYS  23   1.976  14.468  -4.400
  162   2HB   LYS  23          1HB       LYS  23   1.141  12.990  -3.960
  163   1HG   LYS  23          2HG       LYS  23  -0.843  13.740  -5.162
  164   2HG   LYS  23          1HG       LYS  23  -0.025  15.249  -5.572
  165   1HD   LYS  23          2HD       LYS  23   1.696  13.965  -6.778
  166   2HD   LYS  23          1HD       LYS  23   0.830  12.477  -6.407
  167   1HE   LYS  23          2HE       LYS  23  -0.270  14.793  -7.996
  168   2HE   LYS  23          1HE       LYS  23   0.363  13.301  -8.684
  169   1HZ   LYS  23          1HZ       LYS  23  -2.067  13.325  -8.528
  170   2HZ   LYS  23          2HZ       LYS  23  -2.007  13.454  -6.863
  171   3HZ   LYS  23          3HZ       LYS  23  -1.391  12.080  -7.634
  172    H    ALA  24           H        ALA  24  -0.032  12.456  -1.704
  173    HA   ALA  24           HA       ALA  24  -2.775  12.313  -2.372
  174   1HB   ALA  24          1HB       ALA  24  -1.404  10.320  -1.943
  175   2HB   ALA  24          2HB       ALA  24  -2.828  10.367  -0.901
  176   3HB   ALA  24          3HB       ALA  24  -1.246  10.801  -0.252
  177    H    ASN  25           H        ASN  25  -1.012  13.347   0.455
  178    HA   ASN  25           HA       ASN  25  -3.113  13.635   2.305
  179   1HB   ASN  25          2HB       ASN  25  -0.575  13.793   2.674
  180   2HB   ASN  25          1HB       ASN  25  -0.705  15.390   2.041
  181   1HD2  ASN  25          1HD2      ASN  25  -1.527  17.074   3.236
  182   2HD2  ASN  25          2HD2      ASN  25  -1.969  16.902   4.889
  183    H    GLU  26           H        GLU  26  -1.516  15.925   0.275
  184    HA   GLU  26           HA       GLU  26  -3.138  18.160   0.818
  185   1HB   GLU  26          2HB       GLU  26  -0.918  18.404  -0.082
  186   2HB   GLU  26          1HB       GLU  26  -1.378  17.564  -1.549
  187   1HG   GLU  26          2HG       GLU  26  -2.840  19.372  -2.166
  188   2HG   GLU  26          1HG       GLU  26  -2.485  20.207  -0.652
  189    H    SER  27           H        SER  27  -3.367  15.773  -1.833
  190    HA   SER  27           HA       SER  27  -5.546  17.216  -3.021
  191   1HB   SER  27          2HB       SER  27  -4.308  14.579  -3.730
  192   2HB   SER  27          1HB       SER  27  -5.440  15.493  -4.729
  193    HG   SER  27           HG       SER  27  -2.763  15.957  -4.145
  194    H    LYS  28           H        LYS  28  -5.421  15.248  -0.396
  195    HA   LYS  28           HA       LYS  28  -6.907  14.061   0.799
  196   1HB   LYS  28          2HB       LYS  28  -8.756  15.314  -1.116
  197   2HB   LYS  28          1HB       LYS  28  -9.371  14.268   0.160
  198   1HG   LYS  28          2HG       LYS  28  -8.300  15.794   1.801
  199   2HG   LYS  28          1HG       LYS  28  -7.857  16.850   0.458
  200   1HD   LYS  28          2HD       LYS  28 -10.142  17.262  -0.077
  201   2HD   LYS  28          1HD       LYS  28 -10.685  16.012   1.043
  202   1HE   LYS  28          2HE       LYS  28  -9.266  18.556   1.795
  203   2HE   LYS  28          1HE       LYS  28 -10.992  18.245   1.984
  204   1HZ   LYS  28          1HZ       LYS  28  -9.839  17.843   4.078
  205   2HZ   LYS  28          2HZ       LYS  28  -8.793  16.772   3.325
  206   3HZ   LYS  28          3HZ       LYS  28 -10.400  16.366   3.467
  207    H    THR  29           H        THR  29  -5.629  12.915  -1.550
  208    HA   THR  29           HA       THR  29  -7.516  11.040  -2.616
  209    HB   THR  29           HB       THR  29  -4.553  10.896  -2.784
  210    HG1  THR  29           1HG      THR  29  -6.463  12.538  -4.109
  211   1HG2  THR  29          1HG2      THR  29  -5.775   8.976  -3.660
  212   2HG2  THR  29          2HG2      THR  29  -5.021   9.854  -4.991
  213   3HG2  THR  29          3HG2      THR  29  -6.748  10.036  -4.683
  214    H    LEU  30           H        LEU  30  -7.530   8.940  -2.113
  215    HA   LEU  30           HA       LEU  30  -6.678   8.347   0.532
  216   1HB   LEU  30          2HB       LEU  30  -8.964   7.718  -0.230
  217   2HB   LEU  30          1HB       LEU  30  -8.283   6.657  -1.427
  218    HG   LEU  30           HG       LEU  30  -8.054   6.148   1.563
  219   1HD1  LEU  30          1HD1      LEU  30 -10.388   6.193   0.892
  220   2HD1  LEU  30          2HD1      LEU  30  -9.860   4.549   1.247
  221   3HD1  LEU  30          3HD1      LEU  30 -10.039   5.077  -0.427
  222   1HD2  LEU  30          1HD2      LEU  30  -7.763   4.299  -0.798
  223   2HD2  LEU  30          2HD2      LEU  30  -7.542   3.869   0.900
  224   3HD2  LEU  30          3HD2      LEU  30  -6.410   4.971   0.108
  225    H    VAL  31           H        VAL  31  -4.928   6.918   0.985
  226    HA   VAL  31           HA       VAL  31  -3.476   5.927  -1.339
  227    HB   VAL  31           HB       VAL  31  -2.458   8.003  -0.584
  228   1HG1  VAL  31          1HG1      VAL  31  -3.217   8.072   1.706
  229   2HG1  VAL  31          2HG1      VAL  31  -1.464   8.260   1.636
  230   3HG1  VAL  31          3HG1      VAL  31  -2.166   6.713   2.110
  231   1HG2  VAL  31          1HG2      VAL  31  -0.166   7.234  -0.127
  232   2HG2  VAL  31          2HG2      VAL  31  -0.944   6.316  -1.414
  233   3HG2  VAL  31          3HG2      VAL  31  -0.792   5.617   0.199
  234    H    VAL  32           H        VAL  32  -2.616   3.922  -1.177
  235    HA   VAL  32           HA       VAL  32  -2.678   2.627   1.439
  236    HB   VAL  32           HB       VAL  32  -4.576   1.855  -0.020
  237   1HG1  VAL  32          1HG1      VAL  32  -4.214   0.501  -1.921
  238   2HG1  VAL  32          2HG1      VAL  32  -2.495   0.853  -1.826
  239   3HG1  VAL  32          3HG1      VAL  32  -3.652   2.162  -2.127
  240   1HG2  VAL  32          1HG2      VAL  32  -3.703   0.342   1.682
  241   2HG2  VAL  32          2HG2      VAL  32  -2.497  -0.252   0.543
  242   3HG2  VAL  32          3HG2      VAL  32  -4.208  -0.555   0.249
  243    H    VAL  33           H        VAL  33  -0.883   1.533   1.962
  244    HA   VAL  33           HA       VAL  33   1.233   1.444  -0.086
  245    HB   VAL  33           HB       VAL  33   1.579   1.979   2.869
  246   1HG1  VAL  33          1HG1      VAL  33   3.440   0.736   1.914
  247   2HG1  VAL  33          2HG1      VAL  33   3.915   2.369   2.346
  248   3HG1  VAL  33          3HG1      VAL  33   3.625   1.953   0.651
  249   1HG2  VAL  33          1HG2      VAL  33   1.882   3.830   0.502
  250   2HG2  VAL  33          2HG2      VAL  33   2.276   4.232   2.174
  251   3HG2  VAL  33          3HG2      VAL  33   0.605   3.896   1.716
  252    H    ASP  34           H        ASP  34   2.117  -0.448  -0.452
  253    HA   ASP  34           HA       ASP  34   1.843  -2.638   1.467
  254   1HB   ASP  34          2HB       ASP  34   1.030  -3.275  -0.690
  255   2HB   ASP  34          1HB       ASP  34   2.402  -2.543  -1.501
  256    H    PHE  35           H        PHE  35   3.552  -2.740   2.819
  257    HA   PHE  35           HA       PHE  35   6.183  -1.962   1.887
  258   1HB   PHE  35          2HB       PHE  35   5.141  -2.888   4.566
  259   2HB   PHE  35          1HB       PHE  35   6.807  -2.468   4.241
  260    HD1  PHE  35           1HD      PHE  35   3.465  -1.228   4.923
  261    HD2  PHE  35           2HD      PHE  35   7.417  -0.109   3.805
  262    HE1  PHE  35           1HE      PHE  35   2.969   1.109   5.517
  263    HE2  PHE  35           2HE      PHE  35   6.930   2.223   4.395
  264    HZ   PHE  35           HZ       PHE  35   4.701   2.836   5.257
  265    H    THR  36           H        THR  36   7.420  -3.473   0.951
  266    HA   THR  36           HA       THR  36   7.238  -6.228   1.875
  267    HB   THR  36           HB       THR  36   5.582  -6.041   0.064
  268    HG1  THR  36           1HG      THR  36   6.771  -7.531  -1.469
  269   1HG2  THR  36          1HG2      THR  36   6.274  -5.513  -2.193
  270   2HG2  THR  36          2HG2      THR  36   7.909  -5.139  -1.632
  271   3HG2  THR  36          3HG2      THR  36   6.542  -4.136  -1.125
  272    H    ALA  37           H        ALA  37   8.913  -7.535   0.694
  273    HA   ALA  37           HA       ALA  37  11.242  -6.008  -0.174
  274   1HB   ALA  37          1HB       ALA  37  11.327  -8.235   1.866
  275   2HB   ALA  37          2HB       ALA  37  11.619  -6.528   2.196
  276   3HB   ALA  37          3HB       ALA  37  12.732  -7.429   1.165
  277    H    SER  38           H        SER  38  12.501  -7.085  -1.637
  278    HA   SER  38           HA       SER  38  11.219  -8.813  -3.422
  279   1HB   SER  38          2HB       SER  38  13.001  -7.222  -4.054
  280   2HB   SER  38          1HB       SER  38  14.161  -8.153  -3.120
  281    HG   SER  38           HG       SER  38  12.945  -9.788  -4.844
  282    H    TRP  39           H        TRP  39  13.282  -9.429  -0.688
  283    HA   TRP  39           HA       TRP  39  13.678 -12.196  -1.446
  284   1HB   TRP  39          2HB       TRP  39  15.152 -12.285   0.602
  285   2HB   TRP  39          1HB       TRP  39  15.619 -11.094  -0.591
  286    HD1  TRP  39           HD       TRP  39  15.572  -8.659   0.100
  287    HE1  TRP  39           1HE      TRP  39  15.385  -7.414   2.389
  288    HE3  TRP  39           3HE      TRP  39  13.915 -12.526   2.942
  289    HZ2  TRP  39           2HZ      TRP  39  14.619  -8.051   5.021
  290    HZ3  TRP  39           3HZ      TRP  39  13.478 -12.150   5.330
  291    HH2  TRP  39           HH       TRP  39  13.825  -9.961   6.348
  292    H    CYS  40           H        CYS  40  11.089 -10.805  -0.272
  293    HA   CYS  40           HA       CYS  40  10.635 -12.702   1.901
  294   1HB   CYS  40          2HB       CYS  40  10.103 -10.400   2.428
  295   2HB   CYS  40          1HB       CYS  40   9.065 -10.274   1.014
  296    H    GLY  41           H        GLY  41   9.554 -14.503   1.508
  297   1HA   GLY  41          2HA       GLY  41   8.502 -15.170  -1.030
  298   2HA   GLY  41          1HA       GLY  41   8.361 -16.129   0.435
  299    HA   PRO  42           HA       PRO  42   4.044 -15.176   1.182
  300   1HB   PRO  42          2HB       PRO  42   4.813 -13.194   3.282
  301   2HB   PRO  42          1HB       PRO  42   3.616 -14.486   3.359
  302   1HG   PRO  42          2HG       PRO  42   5.944 -14.798   4.545
  303   2HG   PRO  42          1HG       PRO  42   5.224 -16.138   3.635
  304   1HD   PRO  42          2HD       PRO  42   7.497 -14.357   2.891
  305   2HD   PRO  42          1HD       PRO  42   7.248 -16.078   2.543
  306    H    CYS  43           H        CYS  43   6.119 -12.357   1.359
  307    HA   CYS  43           HA       CYS  43   4.204 -10.390   0.703
  308   1HB   CYS  43          2HB       CYS  43   7.180 -10.353   0.235
  309   2HB   CYS  43          1HB       CYS  43   6.128  -8.958   0.434
  310    H    ARG  44           H        ARG  44   6.565 -12.227  -1.205
  311    HA   ARG  44           HA       ARG  44   6.098 -11.000  -3.701
  312   1HB   ARG  44          2HB       ARG  44   8.126 -12.221  -3.150
  313   2HB   ARG  44          1HB       ARG  44   7.204 -13.689  -2.899
  314   1HG   ARG  44          2HG       ARG  44   6.681 -13.748  -5.285
  315   2HG   ARG  44          1HG       ARG  44   7.613 -12.264  -5.514
  316   1HD   ARG  44          2HD       ARG  44   9.625 -13.349  -4.727
  317   2HD   ARG  44          1HD       ARG  44   8.720 -14.818  -4.368
  318    HE   ARG  44           HE       ARG  44   8.280 -14.328  -7.008
  319   1HH1  ARG  44          1HH1      ARG  44  11.174 -14.868  -5.026
  320   2HH1  ARG  44          2HH1      ARG  44  12.051 -15.593  -6.282
  321   1HH2  ARG  44          1HH2      ARG  44   9.459 -15.342  -8.699
  322   2HH2  ARG  44          2HH2      ARG  44  11.057 -15.874  -8.434
  323    H    PHE  45           H        PHE  45   4.668 -13.632  -1.966
  324    HA   PHE  45           HA       PHE  45   3.099 -14.674  -4.120
  325   1HB   PHE  45          2HB       PHE  45   3.804 -16.157  -2.364
  326   2HB   PHE  45          1HB       PHE  45   3.039 -15.155  -1.142
  327    HD1  PHE  45           1HD      PHE  45   2.315 -17.294  -4.085
  328    HD2  PHE  45           2HD      PHE  45   0.842 -15.562  -0.488
  329    HE1  PHE  45           1HE      PHE  45   0.274 -18.640  -4.273
  330    HE2  PHE  45           2HE      PHE  45  -1.207 -16.912  -0.672
  331    HZ   PHE  45           HZ       PHE  45  -1.488 -18.450  -2.567
  332    H    ILE  46           H        ILE  46   2.512 -12.320  -1.566
  333    HA   ILE  46           HA       ILE  46  -0.341 -12.320  -2.104
  334    HB   ILE  46           HB       ILE  46   0.600 -12.020   0.230
  335   1HG1  ILE  46          2HG1      ILE  46  -0.922 -10.165   0.899
  336   2HG1  ILE  46          1HG1      ILE  46  -1.161  -9.797  -0.811
  337   1HG2  ILE  46          1HG2      ILE  46   1.390  -9.301  -0.777
  338   2HG2  ILE  46          2HG2      ILE  46   2.475 -10.609  -0.315
  339   3HG2  ILE  46          3HG2      ILE  46   1.446  -9.842   0.904
  340   1HD1  ILE  46          1HD1      ILE  46  -2.985 -11.110   0.114
  341   2HD1  ILE  46          2HD1      ILE  46  -1.814 -12.366   0.560
  342   3HD1  ILE  46          3HD1      ILE  46  -2.108 -12.003  -1.141
  343    H    ALA  47           H        ALA  47   2.428 -10.797  -3.213
  344    HA   ALA  47           HA       ALA  47   1.703  -8.238  -3.832
  345   1HB   ALA  47          1HB       ALA  47   3.490  -9.996  -5.498
  346   2HB   ALA  47          2HB       ALA  47   3.970  -9.159  -4.026
  347   3HB   ALA  47          3HB       ALA  47   3.494  -8.230  -5.446
  348    HA   PRO  48           HA       PRO  48  -0.043  -9.617  -8.223
  349   1HB   PRO  48          2HB       PRO  48  -1.211 -12.117  -8.210
  350   2HB   PRO  48          1HB       PRO  48   0.397 -11.760  -8.850
  351   1HG   PRO  48          2HG       PRO  48  -0.365 -12.860  -6.172
  352   2HG   PRO  48          1HG       PRO  48   0.943 -13.370  -7.258
  353   1HD   PRO  48          2HD       PRO  48   1.445 -11.844  -5.134
  354   2HD   PRO  48          1HD       PRO  48   2.287 -11.569  -6.675
  355    H    PHE  49           H        PHE  49  -1.337 -10.782  -5.219
  356    HA   PHE  49           HA       PHE  49  -4.097 -10.497  -5.923
  357   1HB   PHE  49          2HB       PHE  49  -3.259 -12.008  -4.098
  358   2HB   PHE  49          1HB       PHE  49  -2.862 -10.585  -3.151
  359    HD1  PHE  49           1HD      PHE  49  -4.602  -9.317  -2.040
  360    HD2  PHE  49           2HD      PHE  49  -5.558 -12.671  -4.479
  361    HE1  PHE  49           1HE      PHE  49  -6.876  -9.360  -1.095
  362    HE2  PHE  49           2HE      PHE  49  -7.823 -12.715  -3.543
  363    HZ   PHE  49           HZ       PHE  49  -8.487 -11.063  -1.851
  364    H    PHE  50           H        PHE  50  -1.727  -8.501  -4.247
  365    HA   PHE  50           HA       PHE  50  -3.479  -6.290  -3.676
  366   1HB   PHE  50          2HB       PHE  50  -1.366  -6.732  -2.429
  367   2HB   PHE  50          1HB       PHE  50  -0.452  -6.408  -3.889
  368    HD1  PHE  50           1HD      PHE  50  -2.648  -4.886  -1.333
  369    HD2  PHE  50           2HD      PHE  50   0.132  -4.183  -4.482
  370    HE1  PHE  50           1HE      PHE  50  -2.500  -2.520  -0.670
  371    HE2  PHE  50           2HE      PHE  50   0.284  -1.818  -3.821
  372    HZ   PHE  50           HZ       PHE  50  -1.031  -0.985  -1.916
  373    H    ALA  51           H        ALA  51  -1.420  -7.155  -6.354
  374    HA   ALA  51           HA       ALA  51  -1.704  -4.697  -7.763
  375   1HB   ALA  51          1HB       ALA  51   0.073  -6.316  -8.298
  376   2HB   ALA  51          2HB       ALA  51  -0.902  -5.944  -9.720
  377   3HB   ALA  51          3HB       ALA  51  -1.145  -7.462  -8.857
  378    H    ASP  52           H        ASP  52  -3.544  -7.647  -7.605
  379    HA   ASP  52           HA       ASP  52  -5.422  -7.152  -9.681
  380   1HB   ASP  52          2HB       ASP  52  -4.933  -9.308  -8.471
  381   2HB   ASP  52          1HB       ASP  52  -5.806  -8.666  -7.133
  382    H    LEU  53           H        LEU  53  -5.230  -6.379  -6.332
  383    HA   LEU  53           HA       LEU  53  -7.728  -5.193  -5.985
  384   1HB   LEU  53          2HB       LEU  53  -5.070  -4.827  -4.693
  385   2HB   LEU  53          1HB       LEU  53  -6.445  -3.969  -4.113
  386    HG   LEU  53           HG       LEU  53  -6.016  -6.925  -4.128
  387   1HD1  LEU  53          1HD1      LEU  53  -6.116  -6.683  -1.692
  388   2HD1  LEU  53          2HD1      LEU  53  -6.352  -4.949  -1.872
  389   3HD1  LEU  53          3HD1      LEU  53  -4.826  -5.679  -2.355
  390   1HD2  LEU  53          1HD2      LEU  53  -8.171  -7.089  -2.965
  391   2HD2  LEU  53          2HD2      LEU  53  -8.358  -6.496  -4.608
  392   3HD2  LEU  53          3HD2      LEU  53  -8.447  -5.372  -3.246
  393    H    ALA  54           H        ALA  54  -4.624  -3.757  -6.953
  394    HA   ALA  54           HA       ALA  54  -5.571  -1.108  -7.256
  395   1HB   ALA  54          1HB       ALA  54  -3.567  -0.744  -8.618
  396   2HB   ALA  54          2HB       ALA  54  -3.320  -2.491  -8.720
  397   3HB   ALA  54          3HB       ALA  54  -3.193  -1.668  -7.163
  398    H    LYS  55           H        LYS  55  -5.552  -3.847  -9.296
  399    HA   LYS  55           HA       LYS  55  -6.362  -2.795 -11.794
  400   1HB   LYS  55          2HB       LYS  55  -5.395  -4.956 -11.551
  401   2HB   LYS  55          1HB       LYS  55  -6.594  -5.419 -10.371
  402   1HG   LYS  55          2HG       LYS  55  -8.286  -5.333 -12.241
  403   2HG   LYS  55          1HG       LYS  55  -6.909  -5.168 -13.346
  404   1HD   LYS  55          2HD       LYS  55  -5.929  -7.207 -12.520
  405   2HD   LYS  55          1HD       LYS  55  -7.181  -7.352 -11.297
  406   1HE   LYS  55          2HE       LYS  55  -8.848  -7.580 -13.118
  407   2HE   LYS  55          1HE       LYS  55  -7.510  -7.572 -14.272
  408   1HZ   LYS  55          1HZ       LYS  55  -8.201  -9.832 -13.675
  409   2HZ   LYS  55          2HZ       LYS  55  -7.826  -9.513 -12.055
  410   3HZ   LYS  55          3HZ       LYS  55  -6.609  -9.532 -13.206
  411    H    LYS  56           H        LYS  56  -8.118  -3.609  -8.892
  412    HA   LYS  56           HA       LYS  56 -10.637  -3.301 -10.323
  413   1HB   LYS  56          2HB       LYS  56 -10.086  -4.360  -7.565
  414   2HB   LYS  56          1HB       LYS  56 -11.707  -4.138  -8.221
  415   1HG   LYS  56          2HG       LYS  56 -11.175  -5.686 -10.045
  416   2HG   LYS  56          1HG       LYS  56  -9.561  -5.910  -9.379
  417   1HD   LYS  56          2HD       LYS  56 -12.134  -6.577  -7.945
  418   2HD   LYS  56          1HD       LYS  56 -11.132  -7.733  -8.821
  419   1HE   LYS  56          2HE       LYS  56  -9.265  -7.246  -7.288
  420   2HE   LYS  56          1HE       LYS  56 -10.295  -6.115  -6.413
  421   1HZ   LYS  56          1HZ       LYS  56 -10.857  -9.011  -6.719
  422   2HZ   LYS  56          2HZ       LYS  56 -11.735  -7.923  -5.777
  423   3HZ   LYS  56          3HZ       LYS  56 -10.155  -8.312  -5.370
  424    H    LEU  57           H        LEU  57  -8.756  -1.645  -7.834
  425    HA   LEU  57           HA       LEU  57 -10.899   0.307  -7.670
  426   1HB   LEU  57          2HB       LEU  57  -8.611  -0.288  -5.805
  427   2HB   LEU  57          1HB       LEU  57  -9.636   1.113  -5.656
  428    HG   LEU  57           HG       LEU  57 -11.579  -0.481  -5.277
  429   1HD1  LEU  57          1HD1      LEU  57 -10.673  -2.487  -6.270
  430   2HD1  LEU  57          2HD1      LEU  57 -11.107  -2.763  -4.581
  431   3HD1  LEU  57          3HD1      LEU  57  -9.415  -2.550  -5.032
  432   1HD2  LEU  57          1HD2      LEU  57 -10.527   0.664  -3.429
  433   2HD2  LEU  57          2HD2      LEU  57  -9.299  -0.598  -3.316
  434   3HD2  LEU  57          3HD2      LEU  57 -10.982  -0.971  -2.954
  435    HA   PRO  58           HA       PRO  58  -7.761   2.500 -10.106
  436   1HB   PRO  58          2HB       PRO  58  -9.403   3.855 -11.697
  437   2HB   PRO  58          1HB       PRO  58  -9.167   2.115 -11.910
  438   1HG   PRO  58          2HG       PRO  58 -11.425   3.571 -10.608
  439   2HG   PRO  58          1HG       PRO  58 -11.479   2.167 -11.685
  440   1HD   PRO  58          2HD       PRO  58 -11.626   2.062  -8.916
  441   2HD   PRO  58          1HD       PRO  58 -11.150   0.702  -9.951
  442    H    ASN  59           H        ASN  59 -10.191   3.641  -7.990
  443    HA   ASN  59           HA       ASN  59  -9.392   6.438  -8.297
  444   1HB   ASN  59          2HB       ASN  59 -11.809   5.822  -7.935
  445   2HB   ASN  59          1HB       ASN  59 -11.343   5.279  -6.323
  446   1HD2  ASN  59          1HD2      ASN  59 -12.714   6.801  -5.326
  447   2HD2  ASN  59          2HD2      ASN  59 -12.323   8.481  -5.311
  448    H    VAL  60           H        VAL  60  -8.754   3.729  -6.334
  449    HA   VAL  60           HA       VAL  60  -7.482   5.294  -4.253
  450    HB   VAL  60           HB       VAL  60  -7.741   2.284  -4.613
  451   1HG1  VAL  60          1HG1      VAL  60  -5.745   2.762  -3.357
  452   2HG1  VAL  60          2HG1      VAL  60  -6.973   2.152  -2.242
  453   3HG1  VAL  60          3HG1      VAL  60  -6.615   3.879  -2.321
  454   1HG2  VAL  60          1HG2      VAL  60  -9.181   4.172  -2.750
  455   2HG2  VAL  60          2HG2      VAL  60  -9.336   2.417  -2.744
  456   3HG2  VAL  60          3HG2      VAL  60  -9.877   3.346  -4.143
  457    H    LEU  61           H        LEU  61  -5.292   5.568  -4.134
  458    HA   LEU  61           HA       LEU  61  -3.810   4.590  -6.452
  459   1HB   LEU  61          2HB       LEU  61  -3.959   7.084  -5.704
  460   2HB   LEU  61          1HB       LEU  61  -2.879   6.619  -4.411
  461    HG   LEU  61           HG       LEU  61  -1.668   7.737  -6.204
  462   1HD1  LEU  61          1HD1      LEU  61  -0.972   4.821  -6.137
  463   2HD1  LEU  61          2HD1      LEU  61  -0.425   6.068  -5.015
  464   3HD1  LEU  61          3HD1      LEU  61   0.070   6.126  -6.704
  465   1HD2  LEU  61          1HD2      LEU  61  -2.648   5.532  -8.002
  466   2HD2  LEU  61          2HD2      LEU  61  -1.481   6.777  -8.441
  467   3HD2  LEU  61          3HD2      LEU  61  -3.141   7.223  -8.052
  468    H    PHE  62           H        PHE  62  -2.690   2.794  -6.131
  469    HA   PHE  62           HA       PHE  62  -2.086   1.923  -3.421
  470   1HB   PHE  62          2HB       PHE  62  -1.838   0.452  -6.042
  471   2HB   PHE  62          1HB       PHE  62  -1.503  -0.232  -4.484
  472    HD1  PHE  62           1HD      PHE  62  -3.109  -1.522  -3.473
  473    HD2  PHE  62           2HD      PHE  62  -4.371   1.507  -6.179
  474    HE1  PHE  62           1HE      PHE  62  -5.440  -2.230  -3.171
  475    HE2  PHE  62           2HE      PHE  62  -6.702   0.804  -5.882
  476    HZ   PHE  62           HZ       PHE  62  -7.241  -1.070  -4.373
  477    H    LEU  63           H        LEU  63  -0.004   1.512  -2.780
  478    HA   LEU  63           HA       LEU  63   2.173   2.080  -4.636
  479   1HB   LEU  63          2HB       LEU  63   2.023   2.960  -1.763
  480   2HB   LEU  63          1HB       LEU  63   3.476   2.982  -2.722
  481    HG   LEU  63           HG       LEU  63   2.236   4.590  -4.266
  482   1HD1  LEU  63          1HD1      LEU  63   0.453   5.904  -3.213
  483   2HD1  LEU  63          2HD1      LEU  63   0.418   4.737  -1.889
  484   3HD1  LEU  63          3HD1      LEU  63  -0.009   4.229  -3.523
  485   1HD2  LEU  63          1HD2      LEU  63   4.027   5.301  -2.797
  486   2HD2  LEU  63          2HD2      LEU  63   2.893   5.456  -1.453
  487   3HD2  LEU  63          3HD2      LEU  63   2.755   6.521  -2.849
  488    H    LYS  64           H        LYS  64   4.020   0.988  -4.329
  489    HA   LYS  64           HA       LYS  64   4.073  -1.314  -2.434
  490   1HB   LYS  64          2HB       LYS  64   3.495  -1.809  -4.867
  491   2HB   LYS  64          1HB       LYS  64   5.145  -1.278  -5.211
  492   1HG   LYS  64          2HG       LYS  64   6.005  -2.866  -3.702
  493   2HG   LYS  64          1HG       LYS  64   4.380  -3.358  -3.236
  494   1HD   LYS  64          2HD       LYS  64   3.970  -4.029  -5.552
  495   2HD   LYS  64          1HD       LYS  64   5.668  -3.661  -5.920
  496   1HE   LYS  64          2HE       LYS  64   5.720  -5.956  -5.351
  497   2HE   LYS  64          1HE       LYS  64   6.191  -4.889  -3.986
  498   1HZ   LYS  64          1HZ       LYS  64   4.203  -5.238  -2.828
  499   2HZ   LYS  64          2HZ       LYS  64   4.683  -6.761  -3.296
  500   3HZ   LYS  64          3HZ       LYS  64   3.454  -5.964  -4.148
  501    H    VAL  65           H        VAL  65   5.627  -0.946  -1.104
  502    HA   VAL  65           HA       VAL  65   7.869   0.676  -2.077
  503    HB   VAL  65           HB       VAL  65   6.717   0.575   0.722
  504   1HG1  VAL  65          1HG1      VAL  65   8.975   2.228  -0.389
  505   2HG1  VAL  65          2HG1      VAL  65   9.130   0.902   0.768
  506   3HG1  VAL  65          3HG1      VAL  65   8.290   2.385   1.229
  507   1HG2  VAL  65          1HG2      VAL  65   6.675   2.772  -1.345
  508   2HG2  VAL  65          2HG2      VAL  65   6.075   2.904   0.308
  509   3HG2  VAL  65          3HG2      VAL  65   5.298   1.801  -0.829
  510    H    ASP  66           H        ASP  66   9.794  -0.197  -1.982
  511    HA   ASP  66           HA       ASP  66  10.154  -2.817  -0.857
  512   1HB   ASP  66          2HB       ASP  66  11.337  -2.038  -2.945
  513   2HB   ASP  66          1HB       ASP  66  12.219  -0.932  -1.892
  514    H    THR  67           H        THR  67  10.016  -2.818   1.232
  515    HA   THR  67           HA       THR  67  10.893  -0.660   2.865
  516    HB   THR  67           HB       THR  67   8.908  -1.987   3.496
  517    HG1  THR  67           1HG      THR  67  11.087  -1.619   5.156
  518   1HG2  THR  67          1HG2      THR  67   9.178  -4.221   4.472
  519   2HG2  THR  67          2HG2      THR  67  10.891  -4.193   4.054
  520   3HG2  THR  67          3HG2      THR  67   9.673  -4.198   2.778
  521    H    ASP  68           H        ASP  68  12.555  -3.178   1.460
  522    HA   ASP  68           HA       ASP  68  14.450  -3.649   3.563
  523   1HB   ASP  68          2HB       ASP  68  13.966  -5.303   1.769
  524   2HB   ASP  68          1HB       ASP  68  14.646  -4.188   0.611
  525    H    GLU  69           H        GLU  69  14.367  -1.834   0.513
  526    HA   GLU  69           HA       GLU  69  16.808  -0.534   0.871
  527   1HB   GLU  69          2HB       GLU  69  14.347   0.063  -0.699
  528   2HB   GLU  69          1HB       GLU  69  15.770   1.069  -0.759
  529   1HG   GLU  69          2HG       GLU  69  17.054  -0.947  -1.522
  530   2HG   GLU  69          1HG       GLU  69  15.517  -1.813  -1.535
  531    H    LEU  70           H        LEU  70  13.443   0.675   1.310
  532    HA   LEU  70           HA       LEU  70  14.379   2.975   2.638
  533   1HB   LEU  70          2HB       LEU  70  11.678   1.867   1.978
  534   2HB   LEU  70          1HB       LEU  70  11.884   3.303   2.938
  535    HG   LEU  70           HG       LEU  70  13.126   4.303   0.950
  536   1HD1  LEU  70          1HD1      LEU  70  12.697   3.370  -1.250
  537   2HD1  LEU  70          2HD1      LEU  70  11.966   1.948  -0.502
  538   3HD1  LEU  70          3HD1      LEU  70  13.676   2.302  -0.245
  539   1HD2  LEU  70          1HD2      LEU  70  10.869   4.981   1.472
  540   2HD2  LEU  70          2HD2      LEU  70  10.221   3.597   0.602
  541   3HD2  LEU  70          3HD2      LEU  70  11.074   4.868  -0.276
  542    H    LYS  71           H        LYS  71  15.346   1.003   4.040
  543    HA   LYS  71           HA       LYS  71  13.692  -0.031   6.056
  544   1HB   LYS  71          2HB       LYS  71  15.846  -0.746   7.178
  545   2HB   LYS  71          1HB       LYS  71  15.563  -1.349   5.559
  546   1HG   LYS  71          2HG       LYS  71  17.889  -0.770   5.780
  547   2HG   LYS  71          1HG       LYS  71  17.125   0.383   4.693
  548   1HD   LYS  71          2HD       LYS  71  16.977   1.989   6.560
  549   2HD   LYS  71          1HD       LYS  71  17.803   0.826   7.597
  550   1HE   LYS  71          2HE       LYS  71  19.741   0.890   6.152
  551   2HE   LYS  71          1HE       LYS  71  18.923   2.011   5.068
  552   1HZ   LYS  71          1HZ       LYS  71  18.798   3.601   6.880
  553   2HZ   LYS  71          2HZ       LYS  71  20.387   3.204   6.526
  554   3HZ   LYS  71          3HZ       LYS  71  19.664   2.565   7.901
  555    H    SER  72           H        SER  72  15.407   3.018   5.950
  556    HA   SER  72           HA       SER  72  15.254   3.436   8.764
  557   1HB   SER  72          2HB       SER  72  15.580   5.414   6.519
  558   2HB   SER  72          1HB       SER  72  15.870   5.761   8.212
  559    HG   SER  72           HG       SER  72  17.802   5.282   7.543
  560    H    VAL  73           H        VAL  73  13.238   3.972   6.011
  561    HA   VAL  73           HA       VAL  73  11.287   5.599   7.292
  562    HB   VAL  73           HB       VAL  73  11.039   3.786   4.861
  563   1HG1  VAL  73          1HG1      VAL  73   9.255   6.038   5.768
  564   2HG1  VAL  73          2HG1      VAL  73   8.854   4.318   5.767
  565   3HG1  VAL  73          3HG1      VAL  73   9.110   5.165   4.242
  566   1HG2  VAL  73          1HG2      VAL  73  11.348   5.833   3.539
  567   2HG2  VAL  73          2HG2      VAL  73  12.754   5.487   4.551
  568   3HG2  VAL  73          3HG2      VAL  73  11.611   6.742   5.027
  569    H    ALA  74           H        ALA  74  11.696   2.180   6.656
  570    HA   ALA  74           HA       ALA  74   9.334   1.123   7.643
  571   1HB   ALA  74          1HB       ALA  74  10.566  -0.956   7.960
  572   2HB   ALA  74          2HB       ALA  74  12.087  -0.075   7.838
  573   3HB   ALA  74          3HB       ALA  74  11.013  -0.180   6.442
  574    H    SER  75           H        SER  75  12.382   1.682   9.428
  575    HA   SER  75           HA       SER  75  11.542   0.744  11.900
  576   1HB   SER  75          2HB       SER  75  13.543   2.916  11.274
  577   2HB   SER  75          1HB       SER  75  13.435   2.015  12.788
  578    HG   SER  75           HG       SER  75  14.404   0.436  11.928
  579    H    ASP  76           H        ASP  76  11.137   3.900  10.395
  580    HA   ASP  76           HA       ASP  76  10.306   5.206  12.796
  581   1HB   ASP  76          2HB       ASP  76  11.352   6.379  10.850
  582   2HB   ASP  76          1HB       ASP  76   9.880   6.079   9.937
  583    H    TRP  77           H        TRP  77   8.672   3.659  10.097
  584    HA   TRP  77           HA       TRP  77   6.125   4.363  11.181
  585   1HB   TRP  77          2HB       TRP  77   6.907   2.916   8.697
  586   2HB   TRP  77          1HB       TRP  77   5.217   3.098   9.171
  587    HD1  TRP  77           HD       TRP  77   8.178   5.060   7.777
  588    HE1  TRP  77           1HE      TRP  77   7.351   7.359   6.942
  589    HE3  TRP  77           3HE      TRP  77   3.388   4.929   9.545
  590    HZ2  TRP  77           2HZ      TRP  77   5.028   8.891   7.004
  591    HZ3  TRP  77           3HZ      TRP  77   1.930   6.873   9.109
  592    HH2  TRP  77           HH       TRP  77   2.734   8.802   7.870
  593    H    ALA  78           H        ALA  78   8.185   2.235  12.205
  594    HA   ALA  78           HA       ALA  78   8.101   0.429  13.581
  595   1HB   ALA  78          1HB       ALA  78   6.209   1.619  14.628
  596   2HB   ALA  78          2HB       ALA  78   5.998  -0.128  14.703
  597   3HB   ALA  78          3HB       ALA  78   5.098   0.817  13.516
  598    H    ILE  79           H        ILE  79   8.002   0.099  10.696
  599    HA   ILE  79           HA       ILE  79   6.434  -2.293  10.265
  600    HB   ILE  79           HB       ILE  79   8.452  -0.964   8.428
  601   1HG1  ILE  79          2HG1      ILE  79   6.620   0.582   8.904
  602   2HG1  ILE  79          1HG1      ILE  79   6.512   0.015   7.245
  603   1HG2  ILE  79          1HG2      ILE  79   6.325  -3.023   7.824
  604   2HG2  ILE  79          2HG2      ILE  79   8.064  -3.296   7.843
  605   3HG2  ILE  79          3HG2      ILE  79   7.354  -2.237   6.625
  606   1HD1  ILE  79          1HD1      ILE  79   4.853  -0.931   9.574
  607   2HD1  ILE  79          2HD1      ILE  79   4.749  -1.551   7.928
  608   3HD1  ILE  79          3HD1      ILE  79   4.325   0.129   8.265
  609    H    GLN  80           H        GLN  80   7.296  -3.939  11.464
  610    HA   GLN  80           HA       GLN  80  10.111  -4.500  11.022
  611   1HB   GLN  80          2HB       GLN  80  10.018  -5.689  13.219
  612   2HB   GLN  80          1HB       GLN  80   9.911  -3.933  13.299
  613   1HG   GLN  80          2HG       GLN  80   8.385  -4.786  14.905
  614   2HG   GLN  80          1HG       GLN  80   7.417  -4.249  13.544
  615   1HE2  GLN  80          1HE2      GLN  80   5.701  -5.539  14.097
  616   2HE2  GLN  80          2HE2      GLN  80   5.724  -7.261  13.924
  617    H    ALA  81           H        ALA  81   7.033  -5.562  10.393
  618    HA   ALA  81           HA       ALA  81   8.059  -8.218   9.724
  619   1HB   ALA  81          1HB       ALA  81   5.851  -9.156  10.221
  620   2HB   ALA  81          2HB       ALA  81   5.296  -7.565  10.742
  621   3HB   ALA  81          3HB       ALA  81   6.557  -8.399  11.653
  622    H    MET  82           H        MET  82   7.277  -9.080   7.764
  623    HA   MET  82           HA       MET  82   5.999  -7.084   6.058
  624   1HB   MET  82          2HB       MET  82   8.140  -9.083   5.395
  625   2HB   MET  82          1HB       MET  82   7.350  -8.040   4.235
  626   1HG   MET  82          2HG       MET  82   8.271  -6.088   5.326
  627   2HG   MET  82          1HG       MET  82   9.019  -7.106   6.556
  628   1HE   MET  82          1HE       MET  82   9.987  -9.604   4.767
  629   2HE   MET  82          2HE       MET  82  10.945  -8.859   6.044
  630   3HE   MET  82          3HE       MET  82  11.645  -9.102   4.450
  631    HA   PRO  83           HA       PRO  83   5.235  -6.963   4.232
  632   1HB   PRO  83          2HB       PRO  83   3.033  -6.970   2.726
  633   2HB   PRO  83          1HB       PRO  83   4.457  -7.907   2.249
  634   1HG   PRO  83          2HG       PRO  83   1.890  -8.836   3.429
  635   2HG   PRO  83          1HG       PRO  83   2.965  -9.649   2.280
  636   1HD   PRO  83          2HD       PRO  83   2.835 -10.089   5.064
  637   2HD   PRO  83          1HD       PRO  83   4.083 -10.685   3.954
  638    H    THR  84           H        THR  84   4.132  -5.008   4.641
  639    HA   THR  84           HA       THR  84   1.832  -5.292   6.421
  640    HB   THR  84           HB       THR  84   3.799  -3.087   6.355
  641    HG1  THR  84           1HG      THR  84   4.468  -5.181   7.399
  642   1HG2  THR  84          1HG2      THR  84   1.610  -2.276   7.023
  643   2HG2  THR  84          2HG2      THR  84   2.662  -2.274   8.436
  644   3HG2  THR  84          3HG2      THR  84   1.472  -3.557   8.228
  645    H    PHE  85           H        PHE  85  -0.020  -4.496   5.647
  646    HA   PHE  85           HA       PHE  85   0.085  -2.767   3.323
  647   1HB   PHE  85          2HB       PHE  85  -2.131  -4.414   4.550
  648   2HB   PHE  85          1HB       PHE  85  -2.240  -3.454   3.093
  649    HD1  PHE  85           1HD      PHE  85  -1.106  -4.178   1.046
  650    HD2  PHE  85           2HD      PHE  85  -1.086  -6.562   4.568
  651    HE1  PHE  85           1HE      PHE  85  -0.402  -6.121  -0.276
  652    HE2  PHE  85           2HE      PHE  85  -0.378  -8.510   3.250
  653    HZ   PHE  85           HZ       PHE  85  -0.034  -8.285   0.826
  654    H    MET  86           H        MET  86  -0.316  -0.727   3.764
  655    HA   MET  86           HA       MET  86  -1.775  -0.113   6.238
  656   1HB   MET  86          2HB       MET  86   0.565   0.487   6.356
  657   2HB   MET  86          1HB       MET  86   0.411   1.430   4.874
  658   1HG   MET  86          2HG       MET  86  -1.043   2.981   6.010
  659   2HG   MET  86          1HG       MET  86  -0.958   2.103   7.516
  660   1HE   MET  86          1HE       MET  86  -0.149   4.125   8.856
  661   2HE   MET  86          2HE       MET  86  -0.322   5.093   7.391
  662   3HE   MET  86          3HE       MET  86   1.162   5.188   8.347
  663    H    PHE  87           H        PHE  87  -3.645   0.831   5.961
  664    HA   PHE  87           HA       PHE  87  -4.332   1.921   3.386
  665   1HB   PHE  87          2HB       PHE  87  -5.885   0.785   5.687
  666   2HB   PHE  87          1HB       PHE  87  -6.603   1.505   4.267
  667    HD1  PHE  87           1HD      PHE  87  -4.654  -1.348   5.548
  668    HD2  PHE  87           2HD      PHE  87  -6.773   0.247   2.221
  669    HE1  PHE  87           1HE      PHE  87  -4.603  -3.556   4.464
  670    HE2  PHE  87           2HE      PHE  87  -6.722  -1.955   1.129
  671    HZ   PHE  87           HZ       PHE  87  -5.637  -3.862   2.251
  672    H    LEU  88           H        LEU  88  -4.367   4.121   3.387
  673    HA   LEU  88           HA       LEU  88  -5.200   5.356   5.872
  674   1HB   LEU  88          2HB       LEU  88  -3.422   6.642   3.765
  675   2HB   LEU  88          1HB       LEU  88  -3.903   7.362   5.271
  676    HG   LEU  88           HG       LEU  88  -2.505   5.503   6.387
  677   1HD1  LEU  88          1HD1      LEU  88  -2.253   4.028   4.499
  678   2HD1  LEU  88          2HD1      LEU  88  -0.664   4.643   4.996
  679   3HD1  LEU  88          3HD1      LEU  88  -1.459   5.302   3.578
  680   1HD2  LEU  88          1HD2      LEU  88  -0.439   6.796   6.085
  681   2HD2  LEU  88          2HD2      LEU  88  -1.838   7.841   6.331
  682   3HD2  LEU  88          3HD2      LEU  88  -1.171   7.624   4.712
  683    H    LYS  89           H        LYS  89  -6.355   7.500   5.341
  684    HA   LYS  89           HA       LYS  89  -7.282   7.675   2.574
  685   1HB   LYS  89          2HB       LYS  89  -9.104   6.627   3.874
  686   2HB   LYS  89          1HB       LYS  89  -9.072   8.001   4.978
  687   1HG   LYS  89          2HG       LYS  89  -9.770   9.484   3.163
  688   2HG   LYS  89          1HG       LYS  89  -9.769   8.124   2.041
  689   1HD   LYS  89          2HD       LYS  89 -11.528   7.043   3.365
  690   2HD   LYS  89          1HD       LYS  89 -11.515   8.399   4.490
  691   1HE   LYS  89          2HE       LYS  89 -13.372   8.623   2.930
  692   2HE   LYS  89          1HE       LYS  89 -12.198   9.910   2.662
  693   1HZ   LYS  89          1HZ       LYS  89 -13.010   8.971   0.599
  694   2HZ   LYS  89          2HZ       LYS  89 -12.506   7.446   1.025
  695   3HZ   LYS  89          3HZ       LYS  89 -11.368   8.649   0.721
  696    H    GLU  90           H        GLU  90  -6.946   9.547   1.760
  697    HA   GLU  90           HA       GLU  90  -6.457  11.585   1.440
  698   1HB   GLU  90          2HB       GLU  90  -7.376  12.137   4.237
  699   2HB   GLU  90          1HB       GLU  90  -7.018  13.403   3.084
  700   1HG   GLU  90          2HG       GLU  90  -8.910  12.655   1.721
  701   2HG   GLU  90          1HG       GLU  90  -9.245  11.380   2.899
  702    H    GLY  91           H        GLY  91  -4.764   9.705   3.109
  703   1HA   GLY  91          2HA       GLY  91  -2.474   9.828   3.745
  704   2HA   GLY  91          1HA       GLY  91  -2.641  11.576   3.878
  705    H    LYS  92           H        LYS  92  -5.252  10.154   5.391
  706    HA   LYS  92           HA       LYS  92  -4.080  10.478   8.047
  707   1HB   LYS  92          2HB       LYS  92  -6.940   9.967   7.187
  708   2HB   LYS  92          1HB       LYS  92  -6.413  10.291   8.823
  709   1HG   LYS  92          2HG       LYS  92  -5.768  12.554   8.172
  710   2HG   LYS  92          1HG       LYS  92  -6.266  12.214   6.510
  711   1HD   LYS  92          2HD       LYS  92  -8.550  11.811   7.254
  712   2HD   LYS  92          1HD       LYS  92  -8.071  12.085   8.925
  713   1HE   LYS  92          2HE       LYS  92  -9.157  14.060   8.047
  714   2HE   LYS  92          1HE       LYS  92  -7.450  14.378   8.346
  715   1HZ   LYS  92          1HZ       LYS  92  -8.169  15.311   6.241
  716   2HZ   LYS  92          2HZ       LYS  92  -8.702  13.810   5.717
  717   3HZ   LYS  92          3HZ       LYS  92  -7.046  14.081   5.956
  718    H    ILE  93           H        ILE  93  -3.699   8.677   9.281
  719    HA   ILE  93           HA       ILE  93  -3.686   6.098   8.096
  720    HB   ILE  93           HB       ILE  93  -3.341   6.906  11.000
  721   1HG1  ILE  93          2HG1      ILE  93  -1.288   6.109   8.968
  722   2HG1  ILE  93          1HG1      ILE  93  -1.642   7.782   9.302
  723   1HG2  ILE  93          1HG2      ILE  93  -3.990   4.550  10.844
  724   2HG2  ILE  93          2HG2      ILE  93  -2.298   4.694  11.319
  725   3HG2  ILE  93          3HG2      ILE  93  -2.714   4.265   9.660
  726   1HD1  ILE  93          1HD1      ILE  93   0.352   7.087  10.485
  727   2HD1  ILE  93          2HD1      ILE  93  -0.509   5.730  11.210
  728   3HD1  ILE  93          3HD1      ILE  93  -0.926   7.384  11.664
  729    H    LEU  94           H        LEU  94  -5.384   4.744   7.835
  730    HA   LEU  94           HA       LEU  94  -7.578   5.005   9.701
  731   1HB   LEU  94          2HB       LEU  94  -7.383   3.590   7.066
  732   2HB   LEU  94          1HB       LEU  94  -8.778   3.536   8.107
  733    HG   LEU  94           HG       LEU  94  -7.704   5.921   6.613
  734   1HD1  LEU  94          1HD1      LEU  94  -9.915   5.836   5.537
  735   2HD1  LEU  94          2HD1      LEU  94 -10.243   4.324   6.392
  736   3HD1  LEU  94          3HD1      LEU  94  -8.921   4.418   5.228
  737   1HD2  LEU  94          1HD2      LEU  94  -9.621   7.167   7.528
  738   2HD2  LEU  94          2HD2      LEU  94  -8.503   6.676   8.793
  739   3HD2  LEU  94          3HD2      LEU  94 -10.014   5.796   8.564
  740    H    ASP  95           H        ASP  95  -5.939   2.355   7.945
  741    HA   ASP  95           HA       ASP  95  -5.564   0.970  10.398
  742   1HB   ASP  95          2HB       ASP  95  -6.733  -0.992   9.703
  743   2HB   ASP  95          1HB       ASP  95  -7.862   0.280  10.119
  744    H    LYS  96           H        LYS  96  -4.502  -0.988  10.164
  745    HA   LYS  96           HA       LYS  96  -3.233  -1.420   7.599
  746   1HB   LYS  96          2HB       LYS  96  -0.952  -1.621   8.723
  747   2HB   LYS  96          1HB       LYS  96  -1.586  -0.006   8.505
  748   1HG   LYS  96          2HG       LYS  96  -0.512  -0.151  10.653
  749   2HG   LYS  96          1HG       LYS  96  -2.245   0.011  10.902
  750   1HD   LYS  96          2HD       LYS  96  -2.383  -2.418  11.318
  751   2HD   LYS  96          1HD       LYS  96  -0.637  -2.543  11.093
  752   1HE   LYS  96          2HE       LYS  96  -0.275  -1.020  12.964
  753   2HE   LYS  96          1HE       LYS  96  -2.013  -0.866  13.188
  754   1HZ   LYS  96          1HZ       LYS  96  -1.047  -2.398  14.744
  755   2HZ   LYS  96          2HZ       LYS  96  -0.455  -3.391  13.516
  756   3HZ   LYS  96          3HZ       LYS  96  -2.115  -3.213  13.747
  757    H    VAL  97           H        VAL  97  -2.231  -3.414   7.282
  758    HA   VAL  97           HA       VAL  97  -3.022  -5.536   9.174
  759    HB   VAL  97           HB       VAL  97  -3.106  -5.715   6.139
  760   1HG1  VAL  97          1HG1      VAL  97  -2.535  -7.841   7.171
  761   2HG1  VAL  97          2HG1      VAL  97  -4.160  -7.901   6.489
  762   3HG1  VAL  97          3HG1      VAL  97  -3.942  -7.721   8.230
  763   1HG2  VAL  97          1HG2      VAL  97  -4.926  -4.338   6.964
  764   2HG2  VAL  97          2HG2      VAL  97  -5.386  -5.599   8.108
  765   3HG2  VAL  97          3HG2      VAL  97  -5.543  -5.881   6.374
  766    H    VAL  98           H        VAL  98  -1.301  -6.757   9.748
  767    HA   VAL  98           HA       VAL  98   1.059  -6.558   8.060
  768    HB   VAL  98           HB       VAL  98   1.334  -5.548  10.272
  769   1HG1  VAL  98          1HG1      VAL  98  -0.229  -6.829  11.563
  770   2HG1  VAL  98          2HG1      VAL  98   1.367  -6.910  12.313
  771   3HG1  VAL  98          3HG1      VAL  98   0.758  -8.279  11.382
  772   1HG2  VAL  98          1HG2      VAL  98   3.289  -6.500   9.207
  773   2HG2  VAL  98          2HG2      VAL  98   2.925  -8.078   9.903
  774   3HG2  VAL  98          3HG2      VAL  98   3.382  -6.737  10.951
  775    H    GLY  99           H        GLY  99   1.923  -8.340   7.261
  776   1HA   GLY  99          2HA       GLY  99   2.501 -10.633   7.285
  777   2HA   GLY  99          1HA       GLY  99   1.114 -10.939   8.334
  778    H    ALA 100           H        ALA 100   1.873 -12.127   5.674
  779    HA   ALA 100           HA       ALA 100  -0.169 -11.049   3.941
  780   1HB   ALA 100          1HB       ALA 100   0.482 -12.836   2.386
  781   2HB   ALA 100          2HB       ALA 100   1.527 -13.528   3.632
  782   3HB   ALA 100          3HB       ALA 100   1.890 -11.939   2.959
  783    H    LYS 101           H        LYS 101  -2.169 -11.385   4.520
  784    HA   LYS 101           HA       LYS 101  -3.010 -14.053   5.342
  785   1HB   LYS 101          2HB       LYS 101  -4.154 -11.374   6.097
  786   2HB   LYS 101          1HB       LYS 101  -4.650 -12.958   6.680
  787   1HG   LYS 101          2HG       LYS 101  -1.957 -11.670   7.241
  788   2HG   LYS 101          1HG       LYS 101  -3.360 -11.755   8.297
  789   1HD   LYS 101          2HD       LYS 101  -2.094 -14.158   7.199
  790   2HD   LYS 101          1HD       LYS 101  -1.528 -13.449   8.714
  791   1HE   LYS 101          2HE       LYS 101  -4.318 -14.461   8.109
  792   2HE   LYS 101          1HE       LYS 101  -3.130 -15.255   9.138
  793   1HZ   LYS 101          1HZ       LYS 101  -4.364 -12.584   9.679
  794   2HZ   LYS 101          2HZ       LYS 101  -3.226 -13.337  10.650
  795   3HZ   LYS 101          3HZ       LYS 101  -4.740 -14.031  10.439
  796    H    LYS 102           H        LYS 102  -4.138 -14.809   3.489
  797    HA   LYS 102           HA       LYS 102  -4.958 -13.021   1.486
  798   1HB   LYS 102          2HB       LYS 102  -4.145 -15.333   1.177
  799   2HB   LYS 102          1HB       LYS 102  -5.620 -15.908   1.921
  800   1HG   LYS 102          2HG       LYS 102  -5.586 -14.275  -0.582
  801   2HG   LYS 102          1HG       LYS 102  -5.418 -16.031  -0.546
  802   1HD   LYS 102          2HD       LYS 102  -7.646 -16.183   0.557
  803   2HD   LYS 102          1HD       LYS 102  -7.780 -14.431   0.479
  804   1HE   LYS 102          2HE       LYS 102  -7.713 -14.513  -1.956
  805   2HE   LYS 102          1HE       LYS 102  -7.525 -16.264  -1.898
  806   1HZ   LYS 102          1HZ       LYS 102  -9.802 -15.607  -2.360
  807   2HZ   LYS 102          2HZ       LYS 102  -9.882 -14.744  -0.920
  808   3HZ   LYS 102          3HZ       LYS 102  -9.732 -16.418  -0.883
  809    H    ASP 103           H        ASP 103  -6.815 -14.990   3.805
  810    HA   ASP 103           HA       ASP 103  -9.304 -13.970   2.855
  811   1HB   ASP 103          2HB       ASP 103  -9.203 -16.201   3.805
  812   2HB   ASP 103          1HB       ASP 103  -8.708 -15.542   5.363
  813    H    GLU 104           H        GLU 104  -7.333 -13.322   5.678
  814    HA   GLU 104           HA       GLU 104  -9.185 -11.589   6.904
  815   1HB   GLU 104          2HB       GLU 104  -7.454 -12.634   8.217
  816   2HB   GLU 104          1HB       GLU 104  -6.205 -11.842   7.272
  817   1HG   GLU 104          2HG       GLU 104  -6.788  -9.709   8.181
  818   2HG   GLU 104          1HG       GLU 104  -8.191 -10.390   9.001
  819    H    LEU 105           H        LEU 105  -6.688 -10.994   4.506
  820    HA   LEU 105           HA       LEU 105  -6.620  -8.185   4.609
  821   1HB   LEU 105          2HB       LEU 105  -5.145  -9.719   3.273
  822   2HB   LEU 105          1HB       LEU 105  -6.464  -9.927   2.188
  823    HG   LEU 105           HG       LEU 105  -6.491  -7.589   1.569
  824   1HD1  LEU 105          1HD1      LEU 105  -5.659  -6.582   3.629
  825   2HD1  LEU 105          2HD1      LEU 105  -4.674  -6.074   2.262
  826   3HD1  LEU 105          3HD1      LEU 105  -4.075  -7.313   3.364
  827   1HD2  LEU 105          1HD2      LEU 105  -4.386  -7.532   0.307
  828   2HD2  LEU 105          2HD2      LEU 105  -5.130  -9.135   0.265
  829   3HD2  LEU 105          3HD2      LEU 105  -3.753  -8.829   1.320
  830    H    GLN 106           H        GLN 106  -8.559 -10.427   2.896
  831    HA   GLN 106           HA       GLN 106 -10.138  -8.590   1.450
  832   1HB   GLN 106          2HB       GLN 106 -10.919 -11.369   2.310
  833   2HB   GLN 106          1HB       GLN 106 -11.776 -10.410   1.113
  834   1HG   GLN 106          2HG       GLN 106  -9.711 -10.338  -0.235
  835   2HG   GLN 106          1HG       GLN 106  -8.957 -11.424   0.930
  836   1HE2  GLN 106          1HE2      GLN 106 -11.260 -11.093  -1.588
  837   2HE2  GLN 106          2HE2      GLN 106 -11.549 -12.769  -1.849
  838    H    SER 107           H        SER 107 -10.491  -9.789   4.687
  839    HA   SER 107           HA       SER 107 -13.058  -8.681   5.125
  840   1HB   SER 107          2HB       SER 107 -10.866  -9.346   7.107
  841   2HB   SER 107          1HB       SER 107 -12.565  -9.064   7.501
  842    HG   SER 107           HG       SER 107 -11.632 -11.344   7.053
  843    H    THR 108           H        THR 108  -9.796  -7.464   5.267
  844    HA   THR 108           HA       THR 108 -10.493  -4.979   6.447
  845    HB   THR 108           HB       THR 108  -8.032  -5.796   4.882
  846    HG1  THR 108           1HG      THR 108  -8.852  -6.628   7.179
  847   1HG2  THR 108          1HG2      THR 108  -6.950  -3.861   5.950
  848   2HG2  THR 108          2HG2      THR 108  -8.462  -3.414   6.722
  849   3HG2  THR 108          3HG2      THR 108  -8.311  -3.333   4.967
  850    H    ILE 109           H        ILE 109 -10.272  -6.237   3.197
  851    HA   ILE 109           HA       ILE 109 -10.622  -3.806   1.809
  852    HB   ILE 109           HB       ILE 109 -11.666  -6.563   1.036
  853   1HG1  ILE 109          2HG1      ILE 109  -9.064  -5.198   0.298
  854   2HG1  ILE 109          1HG1      ILE 109  -9.228  -6.527   1.438
  855   1HG2  ILE 109          1HG2      ILE 109 -12.733  -4.773  -0.246
  856   2HG2  ILE 109          2HG2      ILE 109 -11.635  -5.699  -1.276
  857   3HG2  ILE 109          3HG2      ILE 109 -11.151  -4.116  -0.668
  858   1HD1  ILE 109          1HD1      ILE 109 -10.024  -7.966  -0.404
  859   2HD1  ILE 109          2HD1      ILE 109  -8.414  -7.313  -0.693
  860   3HD1  ILE 109          3HD1      ILE 109  -9.809  -6.610  -1.510
  861    H    ALA 110           H        ALA 110 -12.920  -6.218   2.989
  862    HA   ALA 110           HA       ALA 110 -15.313  -4.885   2.400
  863   1HB   ALA 110          1HB       ALA 110 -14.743  -6.770   4.683
  864   2HB   ALA 110          2HB       ALA 110 -15.176  -7.250   3.041
  865   3HB   ALA 110          3HB       ALA 110 -16.335  -6.371   4.040
  866    H    LYS 111           H        LYS 111 -13.138  -4.551   5.092
  867    HA   LYS 111           HA       LYS 111 -14.593  -2.967   6.903
  868   1HB   LYS 111          2HB       LYS 111 -12.226  -3.917   7.065
  869   2HB   LYS 111          1HB       LYS 111 -11.816  -2.542   6.084
  870   1HG   LYS 111          2HG       LYS 111 -12.659  -0.996   7.809
  871   2HG   LYS 111          1HG       LYS 111 -12.940  -2.370   8.873
  872   1HD   LYS 111          2HD       LYS 111 -10.268  -1.493   7.755
  873   2HD   LYS 111          1HD       LYS 111 -10.827  -1.263   9.405
  874   1HE   LYS 111          2HE       LYS 111 -10.845  -3.674   9.755
  875   2HE   LYS 111          1HE       LYS 111 -10.385  -3.942   8.079
  876   1HZ   LYS 111          1HZ       LYS 111  -8.737  -2.619  10.167
  877   2HZ   LYS 111          2HZ       LYS 111  -8.323  -2.666   8.548
  878   3HZ   LYS 111          3HZ       LYS 111  -8.431  -4.112   9.429
  879    H    HIS 112           H        HIS 112 -12.832  -2.213   4.003
  880    HA   HIS 112           HA       HIS 112 -13.338   0.594   4.234
  881   1HB   HIS 112          2HB       HIS 112 -11.764  -1.068   2.321
  882   2HB   HIS 112          1HB       HIS 112 -12.110   0.621   2.004
  883    HD1  HIS 112           1HD      HIS 112 -10.618   2.300   3.124
  884    HD2  HIS 112           2HD      HIS 112 -10.173  -1.488   4.754
  885    HE1  HIS 112           1HE      HIS 112  -8.646   2.448   4.666
  886    HE2  HIS 112           2HE      HIS 112  -8.706   0.296   5.912
  887    H    LEU 113           H        LEU 113 -15.215  -2.009   2.981
  888    HA   LEU 113           HA       LEU 113 -16.336  -0.459   0.937
  889   1HB   LEU 113          2HB       LEU 113 -16.554  -3.118   2.055
  890   2HB   LEU 113          1HB       LEU 113 -18.057  -2.478   1.462
  891    HG   LEU 113           HG       LEU 113 -16.959  -3.889  -0.191
  892   1HD1  LEU 113          1HD1      LEU 113 -16.874  -0.982  -1.003
  893   2HD1  LEU 113          2HD1      LEU 113 -18.277  -2.042  -1.042
  894   3HD1  LEU 113          3HD1      LEU 113 -16.910  -2.355  -2.109
  895   1HD2  LEU 113          1HD2      LEU 113 -14.644  -3.612   0.491
  896   2HD2  LEU 113          2HD2      LEU 113 -14.666  -1.938  -0.062
  897   3HD2  LEU 113          3HD2      LEU 113 -14.828  -3.254  -1.227
  898    H    ALA 114           H        ALA 114 -16.951   1.377   1.986
  899    HA   ALA 114           HA       ALA 114 -19.518   1.276   3.240
  900   1HB   ALA 114          1HB       ALA 114 -17.133   2.486   4.664
  901   2HB   ALA 114          2HB       ALA 114 -18.022   1.061   5.188
  902   3HB   ALA 114          3HB       ALA 114 -18.812   2.641   5.178
  Start of MODEL    8
    1    H    MET   1           H        MET   1  -9.856   5.156 -22.266
    2    HA   MET   1           HA       MET   1  -8.807   7.881 -21.894
    3   1HB   MET   1          2HB       MET   1  -9.207   5.740 -19.796
    4   2HB   MET   1          1HB       MET   1  -8.711   7.397 -19.531
    5   1HG   MET   1          2HG       MET   1 -10.897   8.184 -20.242
    6   2HG   MET   1          1HG       MET   1 -11.396   6.523 -20.562
    7   1HE   MET   1          1HE       MET   1 -13.504   6.644 -19.052
    8   2HE   MET   1          2HE       MET   1 -13.163   8.352 -18.776
    9   3HE   MET   1          3HE       MET   1 -13.511   7.288 -17.413
   10    H    ALA   2           H        ALA   2  -6.824   7.496 -20.249
   11    HA   ALA   2           HA       ALA   2  -5.024   5.616 -21.562
   12   1HB   ALA   2          1HB       ALA   2  -4.248   7.950 -21.393
   13   2HB   ALA   2          2HB       ALA   2  -3.238   6.876 -20.426
   14   3HB   ALA   2          3HB       ALA   2  -4.455   7.882 -19.643
   15    H    SER   3           H        SER   3  -3.386   4.697 -19.841
   16    HA   SER   3           HA       SER   3  -5.044   3.247 -18.029
   17   1HB   SER   3          2HB       SER   3  -3.174   2.141 -19.224
   18   2HB   SER   3          1HB       SER   3  -2.029   3.148 -18.337
   19    HG   SER   3           HG       SER   3  -3.949   1.638 -16.977
   20    H    GLU   4           H        GLU   4  -5.475   3.735 -16.062
   21    HA   GLU   4           HA       GLU   4  -3.626   5.292 -14.402
   22   1HB   GLU   4          2HB       GLU   4  -5.318   6.858 -15.436
   23   2HB   GLU   4          1HB       GLU   4  -6.589   5.921 -14.682
   24   1HG   GLU   4          2HG       GLU   4  -6.154   7.961 -13.427
   25   2HG   GLU   4          1HG       GLU   4  -5.743   6.544 -12.469
   26    H    GLU   5           H        GLU   5  -4.896   2.524 -14.887
   27    HA   GLU   5           HA       GLU   5  -5.561   1.997 -12.104
   28   1HB   GLU   5          2HB       GLU   5  -7.237   0.369 -12.781
   29   2HB   GLU   5          1HB       GLU   5  -7.633   1.922 -13.478
   30   1HG   GLU   5          2HG       GLU   5  -6.328  -0.367 -14.950
   31   2HG   GLU   5          1HG       GLU   5  -8.040   0.028 -15.002
   32    H    GLY   6           H        GLY   6  -4.958  -0.135 -11.435
   33   1HA   GLY   6          2HA       GLY   6  -3.752  -2.113 -11.524
   34   2HA   GLY   6          1HA       GLY   6  -3.470  -1.829 -13.235
   35    H    GLN   7           H        GLN   7  -2.638   0.949 -11.896
   36    HA   GLN   7           HA       GLN   7   0.113   0.119 -11.781
   37   1HB   GLN   7          2HB       GLN   7   0.601   2.582 -12.019
   38   2HB   GLN   7          1HB       GLN   7   0.051   1.642 -13.396
   39   1HG   GLN   7          2HG       GLN   7  -2.206   2.587 -13.120
   40   2HG   GLN   7          1HG       GLN   7  -1.670   3.457 -11.684
   41   1HE2  GLN   7          1HE2      GLN   7  -0.438   5.295 -11.922
   42   2HE2  GLN   7          2HE2      GLN   7  -0.224   6.085 -13.430
   43    H    VAL   8           H        VAL   8   1.227   0.246 -10.278
   44    HA   VAL   8           HA       VAL   8   0.399   1.590  -7.794
   45    HB   VAL   8           HB       VAL   8   2.115  -0.895  -8.045
   46   1HG1  VAL   8          1HG1      VAL   8   2.573   0.344  -6.056
   47   2HG1  VAL   8          2HG1      VAL   8   1.632  -1.110  -5.632
   48   3HG1  VAL   8          3HG1      VAL   8   0.854   0.461  -5.696
   49   1HG2  VAL   8          1HG2      VAL   8  -0.800  -0.729  -7.288
   50   2HG2  VAL   8          2HG2      VAL   8   0.201  -2.177  -7.194
   51   3HG2  VAL   8          3HG2      VAL   8  -0.144  -1.443  -8.760
   52    H    ILE   9           H        ILE   9   2.060   2.881  -6.831
   53    HA   ILE   9           HA       ILE   9   4.316   3.324  -8.591
   54    HB   ILE   9           HB       ILE   9   3.422   4.829  -6.131
   55   1HG1  ILE   9          2HG1      ILE   9   1.848   5.078  -7.984
   56   2HG1  ILE   9          1HG1      ILE   9   2.760   6.559  -7.732
   57   1HG2  ILE   9          1HG2      ILE   9   5.036   6.557  -6.821
   58   2HG2  ILE   9          2HG2      ILE   9   5.597   5.513  -8.121
   59   3HG2  ILE   9          3HG2      ILE   9   5.839   5.034  -6.440
   60   1HD1  ILE   9          1HD1      ILE   9   4.167   6.044  -9.650
   61   2HD1  ILE   9          2HD1      ILE   9   2.464   6.086 -10.096
   62   3HD1  ILE   9          3HD1      ILE   9   3.279   4.539  -9.909
   63    H    ALA  10           H        ALA  10   6.095   2.140  -8.239
   64    HA   ALA  10           HA       ALA  10   6.615   1.168  -5.541
   65   1HB   ALA  10          1HB       ALA  10   6.676  -0.484  -7.360
   66   2HB   ALA  10          2HB       ALA  10   8.262  -0.300  -6.612
   67   3HB   ALA  10          3HB       ALA  10   7.928   0.461  -8.168
   68    H    CYS  11           H        CYS  11   7.716   2.606  -4.341
   69    HA   CYS  11           HA       CYS  11   9.669   4.222  -5.685
   70   1HB   CYS  11          2HB       CYS  11   9.716   5.342  -3.447
   71   2HB   CYS  11          1HB       CYS  11   8.310   5.653  -4.441
   72    HG   CYS  11           HG       CYS  11   8.510   3.426  -1.836
   73    H    HIS  12           H        HIS  12  11.706   4.083  -5.336
   74    HA   HIS  12           HA       HIS  12  12.671   2.180  -3.336
   75   1HB   HIS  12          2HB       HIS  12  14.018   3.151  -5.875
   76   2HB   HIS  12          1HB       HIS  12  14.725   2.032  -4.720
   77    HD1  HIS  12           1HD      HIS  12  14.047  -0.433  -4.904
   78    HD2  HIS  12           2HD      HIS  12  11.905   2.071  -7.451
   79    HE1  HIS  12           1HE      HIS  12  12.769  -1.947  -6.436
   80    HE2  HIS  12           2HE      HIS  12  11.539  -0.409  -8.021
   81    H    THR  13           H        THR  13  12.123   5.398  -3.818
   82    HA   THR  13           HA       THR  13  14.438   6.106  -2.208
   83    HB   THR  13           HB       THR  13  14.384   8.360  -3.335
   84    HG1  THR  13           1HG      THR  13  13.332   8.474  -5.332
   85   1HG2  THR  13          1HG2      THR  13  16.056   6.684  -3.964
   86   2HG2  THR  13          2HG2      THR  13  15.562   7.647  -5.357
   87   3HG2  THR  13          3HG2      THR  13  14.937   6.009  -5.147
   88    H    VAL  14           H        VAL  14  14.079   7.744  -0.669
   89    HA   VAL  14           HA       VAL  14  11.461   7.607   0.425
   90    HB   VAL  14           HB       VAL  14  13.443   7.621   1.864
   91   1HG1  VAL  14          1HG1      VAL  14  14.894   9.138   0.707
   92   2HG1  VAL  14          2HG1      VAL  14  14.664   9.704   2.360
   93   3HG1  VAL  14          3HG1      VAL  14  13.809  10.490   1.033
   94   1HG2  VAL  14          1HG2      VAL  14  11.585   9.939   2.395
   95   2HG2  VAL  14          2HG2      VAL  14  12.649   9.206   3.594
   96   3HG2  VAL  14          3HG2      VAL  14  11.345   8.259   2.878
   97    H    GLU  15           H        GLU  15  13.149   9.920  -1.523
   98    HA   GLU  15           HA       GLU  15  11.538  12.167  -0.949
   99   1HB   GLU  15          2HB       GLU  15  13.784  12.137  -2.139
  100   2HB   GLU  15          1HB       GLU  15  12.910  11.601  -3.569
  101   1HG   GLU  15          2HG       GLU  15  13.284  13.984  -3.674
  102   2HG   GLU  15          1HG       GLU  15  11.560  13.655  -3.485
  103    H    THR  16           H        THR  16  11.414   9.720  -3.536
  104    HA   THR  16           HA       THR  16   9.057  10.643  -4.753
  105    HB   THR  16           HB       THR  16  10.184   7.831  -4.628
  106    HG1  THR  16           1HG      THR  16  10.598  10.068  -6.309
  107   1HG2  THR  16          1HG2      THR  16   8.922   7.439  -6.708
  108   2HG2  THR  16          2HG2      THR  16   8.258   9.065  -6.618
  109   3HG2  THR  16          3HG2      THR  16   7.826   7.873  -5.392
  110    H    TRP  17           H        TRP  17   9.648   8.284  -2.187
  111    HA   TRP  17           HA       TRP  17   7.110   7.376  -1.639
  112   1HB   TRP  17          2HB       TRP  17   8.948   6.385  -0.516
  113   2HB   TRP  17          1HB       TRP  17   9.515   7.941   0.063
  114    HD1  TRP  17           HD       TRP  17   9.185   8.242   2.542
  115    HE1  TRP  17           1HE      TRP  17   7.550   7.417   4.317
  116    HE3  TRP  17           3HE      TRP  17   6.105   5.500  -0.454
  117    HZ2  TRP  17           2HZ      TRP  17   5.234   5.811   4.434
  118    HZ3  TRP  17           3HZ      TRP  17   4.189   4.358   0.576
  119    HH2  TRP  17           HH       TRP  17   3.768   4.516   2.976
  120    H    ASN  18           H        ASN  18   8.712  10.183  -0.171
  121    HA   ASN  18           HA       ASN  18   6.485  11.047   1.335
  122   1HB   ASN  18          2HB       ASN  18   8.820  11.686   1.803
  123   2HB   ASN  18          1HB       ASN  18   8.839  12.636   0.333
  124   1HD2  ASN  18          1HD2      ASN  18   9.293  14.502   1.462
  125   2HD2  ASN  18          2HD2      ASN  18   8.105  15.349   2.379
  126    H    GLU  19           H        GLU  19   7.682  11.893  -1.832
  127    HA   GLU  19           HA       GLU  19   5.984  14.065  -2.363
  128   1HB   GLU  19          2HB       GLU  19   7.987  13.615  -3.667
  129   2HB   GLU  19          1HB       GLU  19   7.275  12.136  -4.273
  130   1HG   GLU  19          2HG       GLU  19   5.630  13.356  -5.502
  131   2HG   GLU  19          1HG       GLU  19   6.166  14.876  -4.783
  132    H    GLN  20           H        GLN  20   5.440  10.547  -2.978
  133    HA   GLN  20           HA       GLN  20   3.072  11.020  -4.328
  134   1HB   GLN  20          2HB       GLN  20   4.352   8.741  -3.041
  135   2HB   GLN  20          1HB       GLN  20   2.776   8.565  -3.792
  136   1HG   GLN  20          2HG       GLN  20   5.364   9.417  -5.126
  137   2HG   GLN  20          1HG       GLN  20   4.596   7.841  -5.298
  138   1HE2  GLN  20          1HE2      GLN  20   4.501   8.103  -7.562
  139   2HE2  GLN  20          2HE2      GLN  20   3.360   9.129  -8.322
  140    H    LEU  21           H        LEU  21   3.877  10.445  -0.899
  141    HA   LEU  21           HA       LEU  21   1.296  10.200   0.024
  142   1HB   LEU  21          2HB       LEU  21   3.822  11.233   1.098
  143   2HB   LEU  21          1HB       LEU  21   2.406  11.018   2.083
  144    HG   LEU  21           HG       LEU  21   4.061   8.874   0.722
  145   1HD1  LEU  21          1HD1      LEU  21   3.596   9.465   3.633
  146   2HD1  LEU  21          2HD1      LEU  21   5.070   9.796   2.724
  147   3HD1  LEU  21          3HD1      LEU  21   4.548   8.129   2.988
  148   1HD2  LEU  21          1HD2      LEU  21   1.696   8.233   0.661
  149   2HD2  LEU  21          2HD2      LEU  21   1.560   8.549   2.389
  150   3HD2  LEU  21          3HD2      LEU  21   2.584   7.234   1.813
  151    H    GLN  22           H        GLN  22   3.445  12.889  -0.513
  152    HA   GLN  22           HA       GLN  22   1.931  15.009   0.404
  153   1HB   GLN  22          2HB       GLN  22   4.232  15.247  -0.391
  154   2HB   GLN  22          1HB       GLN  22   3.716  14.889  -2.027
  155   1HG   GLN  22          2HG       GLN  22   2.363  16.951  -2.017
  156   2HG   GLN  22          1HG       GLN  22   2.975  17.319  -0.406
  157   1HE2  GLN  22          1HE2      GLN  22   5.133  17.875  -0.168
  158   2HE2  GLN  22          2HE2      GLN  22   6.104  18.378  -1.514
  159    H    LYS  23           H        LYS  23   1.916  13.478  -2.790
  160    HA   LYS  23           HA       LYS  23  -0.208  15.035  -3.785
  161   1HB   LYS  23          2HB       LYS  23   0.958  12.428  -4.707
  162   2HB   LYS  23          1HB       LYS  23  -0.442  13.140  -5.503
  163   1HG   LYS  23          2HG       LYS  23   2.223  14.505  -5.159
  164   2HG   LYS  23          1HG       LYS  23   1.680  13.698  -6.636
  165   1HD   LYS  23          2HD       LYS  23  -0.227  15.200  -6.778
  166   2HD   LYS  23          1HD       LYS  23   0.256  16.018  -5.301
  167   1HE   LYS  23          2HE       LYS  23   2.315  16.737  -6.406
  168   2HE   LYS  23          1HE       LYS  23   1.781  15.942  -7.888
  169   1HZ   LYS  23          1HZ       LYS  23   0.270  18.097  -6.506
  170   2HZ   LYS  23          2HZ       LYS  23  -0.120  17.390  -7.985
  171   3HZ   LYS  23          3HZ       LYS  23   1.264  18.338  -7.845
  172    H    ALA  24           H        ALA  24  -0.250  11.946  -2.108
  173    HA   ALA  24           HA       ALA  24  -3.013  11.501  -2.409
  174   1HB   ALA  24          1HB       ALA  24  -1.220  10.712  -0.108
  175   2HB   ALA  24          2HB       ALA  24  -1.464   9.777  -1.581
  176   3HB   ALA  24          3HB       ALA  24  -2.804  10.026  -0.460
  177    H    ASN  25           H        ASN  25  -1.151  13.318  -0.102
  178    HA   ASN  25           HA       ASN  25  -3.197  14.087   1.720
  179   1HB   ASN  25          2HB       ASN  25  -0.712  14.240   2.074
  180   2HB   ASN  25          1HB       ASN  25  -0.690  15.508   0.912
  181   1HD2  ASN  25          1HD2      ASN  25   0.151  16.965   2.387
  182   2HD2  ASN  25          2HD2      ASN  25  -0.833  17.737   3.568
  183    H    GLU  26           H        GLU  26  -1.567  15.770  -0.814
  184    HA   GLU  26           HA       GLU  26  -3.019  18.165  -0.741
  185   1HB   GLU  26          2HB       GLU  26  -0.822  18.135  -1.714
  186   2HB   GLU  26          1HB       GLU  26  -1.302  16.961  -2.911
  187   1HG   GLU  26          2HG       GLU  26  -2.549  19.688  -2.923
  188   2HG   GLU  26          1HG       GLU  26  -0.922  19.469  -3.550
  189    H    SER  27           H        SER  27  -3.560  15.344  -2.843
  190    HA   SER  27           HA       SER  27  -5.824  16.740  -3.933
  191   1HB   SER  27          2HB       SER  27  -4.564  14.110  -4.606
  192   2HB   SER  27          1HB       SER  27  -5.911  14.842  -5.482
  193    HG   SER  27           HG       SER  27  -4.010  16.675  -5.196
  194    H    LYS  28           H        LYS  28  -5.351  15.115  -1.187
  195    HA   LYS  28           HA       LYS  28  -6.635  14.070   0.342
  196   1HB   LYS  28          2HB       LYS  28  -8.774  15.200  -1.359
  197   2HB   LYS  28          1HB       LYS  28  -9.094  14.528   0.239
  198   1HG   LYS  28          2HG       LYS  28  -7.602  16.252   1.201
  199   2HG   LYS  28          1HG       LYS  28  -7.376  16.928  -0.414
  200   1HD   LYS  28          2HD       LYS  28  -9.764  17.400  -0.547
  201   2HD   LYS  28          1HD       LYS  28 -10.005  16.699   1.057
  202   1HE   LYS  28          2HE       LYS  28  -8.539  18.402   2.016
  203   2HE   LYS  28          1HE       LYS  28  -8.293  19.101   0.416
  204   1HZ   LYS  28          1HZ       LYS  28 -10.651  19.597   0.320
  205   2HZ   LYS  28          2HZ       LYS  28  -9.969  20.309   1.683
  206   3HZ   LYS  28          3HZ       LYS  28 -10.894  18.923   1.842
  207    H    THR  29           H        THR  29  -5.782  12.581  -1.904
  208    HA   THR  29           HA       THR  29  -7.933  10.785  -2.614
  209    HB   THR  29           HB       THR  29  -5.043  10.609  -3.287
  210    HG1  THR  29           1HG      THR  29  -7.042  12.300  -4.104
  211   1HG2  THR  29          1HG2      THR  29  -7.488   9.506  -4.691
  212   2HG2  THR  29          2HG2      THR  29  -6.310   8.575  -3.767
  213   3HG2  THR  29          3HG2      THR  29  -5.834   9.347  -5.282
  214    H    LEU  30           H        LEU  30  -7.941   8.747  -2.081
  215    HA   LEU  30           HA       LEU  30  -6.947   8.031   0.480
  216   1HB   LEU  30          2HB       LEU  30  -9.204   7.386  -0.393
  217   2HB   LEU  30          1HB       LEU  30  -8.449   6.363  -1.580
  218    HG   LEU  30           HG       LEU  30  -8.381   5.852   1.416
  219   1HD1  LEU  30          1HD1      LEU  30 -10.044   4.141   0.941
  220   2HD1  LEU  30          2HD1      LEU  30 -10.110   4.663  -0.741
  221   3HD1  LEU  30          3HD1      LEU  30 -10.643   5.751   0.542
  222   1HD2  LEU  30          1HD2      LEU  30  -7.738   4.036  -0.910
  223   2HD2  LEU  30          2HD2      LEU  30  -7.686   3.602   0.797
  224   3HD2  LEU  30          3HD2      LEU  30  -6.539   4.776   0.149
  225    H    VAL  31           H        VAL  31  -5.181   6.619   0.918
  226    HA   VAL  31           HA       VAL  31  -3.735   5.643  -1.402
  227    HB   VAL  31           HB       VAL  31  -2.690   7.716  -0.646
  228   1HG1  VAL  31          1HG1      VAL  31  -3.384   7.762   1.666
  229   2HG1  VAL  31          2HG1      VAL  31  -1.633   7.931   1.547
  230   3HG1  VAL  31          3HG1      VAL  31  -2.338   6.384   2.022
  231   1HG2  VAL  31          1HG2      VAL  31  -1.036   5.295   0.053
  232   2HG2  VAL  31          2HG2      VAL  31  -0.392   6.903  -0.276
  233   3HG2  VAL  31          3HG2      VAL  31  -1.220   6.006  -1.549
  234    H    VAL  32           H        VAL  32  -3.021   3.627  -1.259
  235    HA   VAL  32           HA       VAL  32  -3.014   2.337   1.372
  236    HB   VAL  32           HB       VAL  32  -3.692   1.065  -1.254
  237   1HG1  VAL  32          1HG1      VAL  32  -2.516  -0.462   0.270
  238   2HG1  VAL  32          2HG1      VAL  32  -4.197  -0.968   0.081
  239   3HG1  VAL  32          3HG1      VAL  32  -3.688  -0.111   1.539
  240   1HG2  VAL  32          1HG2      VAL  32  -5.957   0.726  -0.322
  241   2HG2  VAL  32          2HG2      VAL  32  -5.533   2.433  -0.461
  242   3HG2  VAL  32          3HG2      VAL  32  -5.471   1.634   1.108
  243    H    VAL  33           H        VAL  33  -1.095   1.619   1.932
  244    HA   VAL  33           HA       VAL  33   0.913   1.506  -0.195
  245    HB   VAL  33           HB       VAL  33   1.381   2.031   2.746
  246   1HG1  VAL  33          1HG1      VAL  33   3.247   2.172   0.383
  247   2HG1  VAL  33          2HG1      VAL  33   3.255   0.945   1.642
  248   3HG1  VAL  33          3HG1      VAL  33   3.652   2.616   2.041
  249   1HG2  VAL  33          1HG2      VAL  33   1.409   3.953   0.413
  250   2HG2  VAL  33          2HG2      VAL  33   1.859   4.346   2.074
  251   3HG2  VAL  33          3HG2      VAL  33   0.199   3.896   1.692
  252    H    ASP  34           H        ASP  34   1.986  -0.281  -0.530
  253    HA   ASP  34           HA       ASP  34   1.609  -2.596   1.217
  254   1HB   ASP  34          2HB       ASP  34   0.940  -2.913  -1.099
  255   2HB   ASP  34          1HB       ASP  34   2.474  -2.280  -1.660
  256    H    PHE  35           H        PHE  35   3.258  -2.641   2.666
  257    HA   PHE  35           HA       PHE  35   5.912  -1.869   1.805
  258   1HB   PHE  35          2HB       PHE  35   4.793  -2.692   4.473
  259   2HB   PHE  35          1HB       PHE  35   6.438  -2.176   4.176
  260    HD1  PHE  35           1HD      PHE  35   6.870   0.213   3.546
  261    HD2  PHE  35           2HD      PHE  35   3.043  -1.138   4.825
  262    HE1  PHE  35           1HE      PHE  35   6.223   2.533   4.055
  263    HE2  PHE  35           2HE      PHE  35   2.388   1.174   5.326
  264    HZ   PHE  35           HZ       PHE  35   3.981   3.016   4.946
  265    H    THR  36           H        THR  36   7.170  -3.458   1.073
  266    HA   THR  36           HA       THR  36   6.703  -6.171   2.021
  267    HB   THR  36           HB       THR  36   5.348  -5.877  -0.033
  268    HG1  THR  36           1HG      THR  36   6.294  -7.607  -1.215
  269   1HG2  THR  36          1HG2      THR  36   7.991  -5.245  -1.366
  270   2HG2  THR  36          2HG2      THR  36   6.674  -4.106  -1.095
  271   3HG2  THR  36          3HG2      THR  36   6.446  -5.466  -2.193
  272    H    ALA  37           H        ALA  37   8.421  -7.559   0.880
  273    HA   ALA  37           HA       ALA  37  10.958  -6.140   0.613
  274   1HB   ALA  37          1HB       ALA  37  12.077  -7.964   1.862
  275   2HB   ALA  37          2HB       ALA  37  10.496  -8.666   2.216
  276   3HB   ALA  37          3HB       ALA  37  10.925  -7.090   2.872
  277    H    SER  38           H        SER  38  11.979  -6.744  -1.159
  278    HA   SER  38           HA       SER  38  10.705  -8.327  -3.072
  279   1HB   SER  38          2HB       SER  38  13.616  -7.514  -3.014
  280   2HB   SER  38          1HB       SER  38  12.674  -7.957  -4.435
  281    HG   SER  38           HG       SER  38  12.358  -5.691  -2.760
  282    H    TRP  39           H        TRP  39  13.112  -9.187  -0.680
  283    HA   TRP  39           HA       TRP  39  13.562 -11.798  -1.844
  284   1HB   TRP  39          2HB       TRP  39  15.091 -12.101   0.186
  285   2HB   TRP  39          1HB       TRP  39  15.517 -10.817  -0.927
  286    HD1  TRP  39           HD       TRP  39  15.897  -8.552   0.064
  287    HE1  TRP  39           1HE      TRP  39  15.599  -7.431   2.376
  288    HE3  TRP  39           3HE      TRP  39  13.328 -12.275   2.423
  289    HZ2  TRP  39           2HZ      TRP  39  14.405  -8.065   4.861
  290    HZ3  TRP  39           3HZ      TRP  39  12.645 -11.944   4.764
  291    HH2  TRP  39           HH       TRP  39  13.175  -9.883   5.953
  292    H    CYS  40           H        CYS  40  11.000 -10.731  -0.366
  293    HA   CYS  40           HA       CYS  40  10.739 -12.837   1.622
  294   1HB   CYS  40          2HB       CYS  40  10.147 -10.693   2.404
  295   2HB   CYS  40          1HB       CYS  40   9.116 -10.372   1.018
  296    H    GLY  41           H        GLY  41   9.693 -14.626   1.231
  297   1HA   GLY  41          2HA       GLY  41   8.631 -15.291  -1.308
  298   2HA   GLY  41          1HA       GLY  41   8.549 -16.290   0.135
  299    HA   PRO  42           HA       PRO  42   4.204 -15.534   0.766
  300   1HB   PRO  42          2HB       PRO  42   4.032 -13.949   3.068
  301   2HB   PRO  42          1HB       PRO  42   4.114 -15.712   3.048
  302   1HG   PRO  42          2HG       PRO  42   6.292 -13.717   3.488
  303   2HG   PRO  42          1HG       PRO  42   6.035 -15.290   4.264
  304   1HD   PRO  42          2HD       PRO  42   7.888 -14.961   2.369
  305   2HD   PRO  42          1HD       PRO  42   6.931 -16.456   2.463
  306    H    CYS  43           H        CYS  43   6.217 -12.718   1.113
  307    HA   CYS  43           HA       CYS  43   4.257 -10.733   0.632
  308   1HB   CYS  43          2HB       CYS  43   7.224 -10.641   0.089
  309   2HB   CYS  43          1HB       CYS  43   6.161  -9.253   0.274
  310    H    ARG  44           H        ARG  44   6.497 -12.516  -1.443
  311    HA   ARG  44           HA       ARG  44   5.890 -11.254  -3.887
  312   1HB   ARG  44          2HB       ARG  44   7.929 -12.607  -3.383
  313   2HB   ARG  44          1HB       ARG  44   6.947 -14.028  -3.228
  314   1HG   ARG  44          2HG       ARG  44   7.117 -12.587  -5.868
  315   2HG   ARG  44          1HG       ARG  44   8.428 -13.621  -5.347
  316   1HD   ARG  44          2HD       ARG  44   7.106 -14.991  -6.730
  317   2HD   ARG  44          1HD       ARG  44   6.647 -15.455  -5.102
  318    HE   ARG  44           HE       ARG  44   4.981 -13.455  -6.337
  319   1HH1  ARG  44          1HH1      ARG  44   5.396 -16.932  -5.704
  320   2HH1  ARG  44          2HH1      ARG  44   3.803 -17.310  -6.166
  321   1HH2  ARG  44          1HH2      ARG  44   2.878 -13.986  -6.903
  322   2HH2  ARG  44          2HH2      ARG  44   2.289 -15.593  -6.843
  323    H    PHE  45           H        PHE  45   4.639 -14.019  -2.175
  324    HA   PHE  45           HA       PHE  45   2.831 -14.951  -4.121
  325   1HB   PHE  45          2HB       PHE  45   3.541 -16.390  -2.338
  326   2HB   PHE  45          1HB       PHE  45   2.879 -15.303  -1.127
  327    HD1  PHE  45           1HD      PHE  45   1.926 -17.502  -3.945
  328    HD2  PHE  45           2HD      PHE  45   0.678 -15.586  -0.350
  329    HE1  PHE  45           1HE      PHE  45  -0.184 -18.761  -3.999
  330    HE2  PHE  45           2HE      PHE  45  -1.420 -16.842  -0.403
  331    HZ   PHE  45           HZ       PHE  45  -1.859 -18.428  -2.224
  332    H    ILE  46           H        ILE  46   2.433 -12.519  -1.603
  333    HA   ILE  46           HA       ILE  46  -0.440 -12.457  -2.012
  334    HB   ILE  46           HB       ILE  46   0.636 -12.203   0.268
  335   1HG1  ILE  46          2HG1      ILE  46  -0.848 -10.318   1.020
  336   2HG1  ILE  46          1HG1      ILE  46  -1.220 -10.025  -0.677
  337   1HG2  ILE  46          1HG2      ILE  46   1.486 -10.007   0.930
  338   2HG2  ILE  46          2HG2      ILE  46   1.383  -9.481  -0.752
  339   3HG2  ILE  46          3HG2      ILE  46   2.481 -10.783  -0.306
  340   1HD1  ILE  46          1HD1      ILE  46  -2.947 -11.342   0.392
  341   2HD1  ILE  46          2HD1      ILE  46  -1.729 -12.531   0.862
  342   3HD1  ILE  46          3HD1      ILE  46  -2.113 -12.299  -0.847
  343    H    ALA  47           H        ALA  47   2.345 -10.817  -3.132
  344    HA   ALA  47           HA       ALA  47   1.548  -8.255  -3.639
  345   1HB   ALA  47          1HB       ALA  47   3.335  -8.090  -5.212
  346   2HB   ALA  47          2HB       ALA  47   3.386  -9.842  -5.405
  347   3HB   ALA  47          3HB       ALA  47   3.838  -9.115  -3.865
  348    HA   PRO  48           HA       PRO  48   0.029  -9.586  -8.207
  349   1HB   PRO  48          2HB       PRO  48  -1.363 -12.057  -7.293
  350   2HB   PRO  48          1HB       PRO  48  -0.618 -11.705  -8.859
  351   1HG   PRO  48          2HG       PRO  48   0.627 -13.276  -7.157
  352   2HG   PRO  48          1HG       PRO  48   1.529 -12.038  -8.054
  353   1HD   PRO  48          2HD       PRO  48   0.626 -12.032  -5.207
  354   2HD   PRO  48          1HD       PRO  48   2.156 -11.466  -5.906
  355    H    PHE  49           H        PHE  49  -1.681 -10.313  -5.201
  356    HA   PHE  49           HA       PHE  49  -4.245  -9.598  -6.207
  357   1HB   PHE  49          2HB       PHE  49  -4.131 -11.071  -4.291
  358   2HB   PHE  49          1HB       PHE  49  -3.282  -9.850  -3.344
  359    HD1  PHE  49           1HD      PHE  49  -6.499 -10.648  -4.968
  360    HD2  PHE  49           2HD      PHE  49  -4.472  -8.174  -2.171
  361    HE1  PHE  49           1HE      PHE  49  -8.655  -9.743  -4.207
  362    HE2  PHE  49           2HE      PHE  49  -6.623  -7.269  -1.400
  363    HZ   PHE  49           HZ       PHE  49  -8.718  -8.048  -2.417
  364    H    PHE  50           H        PHE  50  -1.669  -7.844  -4.629
  365    HA   PHE  50           HA       PHE  50  -3.243  -5.556  -4.025
  366   1HB   PHE  50          2HB       PHE  50  -1.077  -6.155  -2.897
  367   2HB   PHE  50          1HB       PHE  50  -0.240  -5.724  -4.382
  368    HD1  PHE  50           1HD      PHE  50  -2.323  -4.424  -1.644
  369    HD2  PHE  50           2HD      PHE  50   0.283  -3.461  -4.860
  370    HE1  PHE  50           1HE      PHE  50  -2.207  -2.117  -0.842
  371    HE2  PHE  50           2HE      PHE  50   0.401  -1.133  -4.054
  372    HZ   PHE  50           HZ       PHE  50  -0.843  -0.461  -2.046
  373    H    ALA  51           H        ALA  51  -1.294  -6.583  -6.724
  374    HA   ALA  51           HA       ALA  51  -1.494  -4.143  -8.209
  375   1HB   ALA  51          1HB       ALA  51  -0.583  -5.451 -10.072
  376   2HB   ALA  51          2HB       ALA  51  -0.861  -6.936  -9.163
  377   3HB   ALA  51          3HB       ALA  51   0.319  -5.759  -8.586
  378    H    ASP  52           H        ASP  52  -3.404  -6.958  -7.820
  379    HA   ASP  52           HA       ASP  52  -5.127  -6.680 -10.108
  380   1HB   ASP  52          2HB       ASP  52  -4.698  -8.790  -8.789
  381   2HB   ASP  52          1HB       ASP  52  -5.584  -8.066  -7.485
  382    H    LEU  53           H        LEU  53  -5.439  -6.066  -6.657
  383    HA   LEU  53           HA       LEU  53  -7.847  -4.765  -6.453
  384   1HB   LEU  53          2HB       LEU  53  -5.896  -5.523  -4.827
  385   2HB   LEU  53          1HB       LEU  53  -5.353  -3.887  -5.056
  386    HG   LEU  53           HG       LEU  53  -7.923  -4.793  -3.960
  387   1HD1  LEU  53          1HD1      LEU  53  -6.082  -5.237  -2.434
  388   2HD1  LEU  53          2HD1      LEU  53  -6.994  -3.875  -1.777
  389   3HD1  LEU  53          3HD1      LEU  53  -5.477  -3.593  -2.625
  390   1HD2  LEU  53          1HD2      LEU  53  -6.835  -1.984  -4.117
  391   2HD2  LEU  53          2HD2      LEU  53  -8.272  -2.435  -3.206
  392   3HD2  LEU  53          3HD2      LEU  53  -8.253  -2.608  -4.966
  393    H    ALA  54           H        ALA  54  -4.676  -3.601  -7.398
  394    HA   ALA  54           HA       ALA  54  -5.205  -0.886  -7.582
  395   1HB   ALA  54          1HB       ALA  54  -3.209  -0.719  -8.948
  396   2HB   ALA  54          2HB       ALA  54  -3.229  -2.459  -9.224
  397   3HB   ALA  54          3HB       ALA  54  -2.943  -1.828  -7.607
  398    H    LYS  55           H        LYS  55  -5.976  -3.449  -9.872
  399    HA   LYS  55           HA       LYS  55  -6.619  -1.582 -11.991
  400   1HB   LYS  55          2HB       LYS  55  -7.378  -4.486 -11.675
  401   2HB   LYS  55          1HB       LYS  55  -7.606  -3.532 -13.127
  402   1HG   LYS  55          2HG       LYS  55  -5.179  -3.282 -13.322
  403   2HG   LYS  55          1HG       LYS  55  -4.975  -4.270 -11.872
  404   1HD   LYS  55          2HD       LYS  55  -6.147  -6.113 -12.990
  405   2HD   LYS  55          1HD       LYS  55  -6.289  -5.131 -14.444
  406   1HE   LYS  55          2HE       LYS  55  -3.854  -5.005 -14.602
  407   2HE   LYS  55          1HE       LYS  55  -3.714  -5.988 -13.144
  408   1HZ   LYS  55          1HZ       LYS  55  -4.844  -7.778 -14.307
  409   2HZ   LYS  55          2HZ       LYS  55  -3.424  -7.321 -15.092
  410   3HZ   LYS  55          3HZ       LYS  55  -4.912  -6.850 -15.720
  411    H    LYS  56           H        LYS  56  -8.251  -3.027  -9.315
  412    HA   LYS  56           HA       LYS  56 -10.913  -2.539 -10.354
  413   1HB   LYS  56          2HB       LYS  56  -9.902  -3.902  -7.875
  414   2HB   LYS  56          1HB       LYS  56 -11.604  -3.763  -8.308
  415   1HG   LYS  56          2HG       LYS  56 -11.294  -5.059 -10.276
  416   2HG   LYS  56          1HG       LYS  56  -9.543  -5.022 -10.087
  417   1HD   LYS  56          2HD       LYS  56  -9.715  -6.350  -8.065
  418   2HD   LYS  56          1HD       LYS  56 -11.476  -6.340  -8.192
  419   1HE   LYS  56          2HE       LYS  56 -11.399  -7.584 -10.241
  420   2HE   LYS  56          1HE       LYS  56  -9.646  -7.435 -10.318
  421   1HZ   LYS  56          1HZ       LYS  56  -9.419  -8.752  -8.427
  422   2HZ   LYS  56          2HZ       LYS  56 -10.387  -9.611  -9.504
  423   3HZ   LYS  56          3HZ       LYS  56 -11.075  -8.874  -8.143
  424    H    LEU  57           H        LEU  57  -8.701  -0.776  -8.761
  425    HA   LEU  57           HA       LEU  57  -9.847   0.416  -6.573
  426   1HB   LEU  57          2HB       LEU  57  -8.262   2.113  -6.784
  427   2HB   LEU  57          1HB       LEU  57  -7.534   0.731  -7.562
  428    HG   LEU  57           HG       LEU  57  -8.699   3.181  -8.912
  429   1HD1  LEU  57          1HD1      LEU  57  -5.883   2.182  -8.776
  430   2HD1  LEU  57          2HD1      LEU  57  -6.552   3.580  -7.937
  431   3HD1  LEU  57          3HD1      LEU  57  -6.438   3.575  -9.699
  432   1HD2  LEU  57          1HD2      LEU  57  -7.917   2.264 -11.054
  433   2HD2  LEU  57          2HD2      LEU  57  -9.162   1.242 -10.327
  434   3HD2  LEU  57          3HD2      LEU  57  -7.466   0.763 -10.244
  435    HA   PRO  58           HA       PRO  58 -13.020   3.083  -8.426
  436   1HB   PRO  58          2HB       PRO  58 -12.892   4.611  -5.906
  437   2HB   PRO  58          1HB       PRO  58 -14.256   3.722  -6.582
  438   1HG   PRO  58          2HG       PRO  58 -12.952   2.860  -4.377
  439   2HG   PRO  58          1HG       PRO  58 -13.672   1.745  -5.551
  440   1HD   PRO  58          2HD       PRO  58 -10.810   2.559  -5.222
  441   2HD   PRO  58          1HD       PRO  58 -11.505   0.958  -5.567
  442    H    ASN  59           H        ASN  59 -10.784   4.650  -6.123
  443    HA   ASN  59           HA       ASN  59  -9.115   5.735  -8.104
  444   1HB   ASN  59          2HB       ASN  59 -10.992   7.362  -8.284
  445   2HB   ASN  59          1HB       ASN  59 -10.832   7.675  -6.561
  446   1HD2  ASN  59          1HD2      ASN  59  -9.210   9.001  -5.842
  447   2HD2  ASN  59          2HD2      ASN  59  -8.178   9.912  -6.880
  448    H    VAL  60           H        VAL  60  -7.592   4.623  -6.884
  449    HA   VAL  60           HA       VAL  60  -6.980   5.757  -4.248
  450    HB   VAL  60           HB       VAL  60  -6.923   2.795  -4.931
  451   1HG1  VAL  60          1HG1      VAL  60  -5.106   3.376  -3.447
  452   2HG1  VAL  60          2HG1      VAL  60  -6.330   2.458  -2.571
  453   3HG1  VAL  60          3HG1      VAL  60  -6.220   4.209  -2.365
  454   1HG2  VAL  60          1HG2      VAL  60  -8.706   4.298  -3.014
  455   2HG2  VAL  60          2HG2      VAL  60  -8.685   2.548  -3.247
  456   3HG2  VAL  60          3HG2      VAL  60  -9.193   3.613  -4.560
  457    H    LEU  61           H        LEU  61  -4.852   6.147  -3.901
  458    HA   LEU  61           HA       LEU  61  -3.035   5.563  -6.116
  459   1HB   LEU  61          2HB       LEU  61  -3.361   7.868  -4.849
  460   2HB   LEU  61          1HB       LEU  61  -2.360   7.130  -3.624
  461    HG   LEU  61           HG       LEU  61  -1.554   7.754  -6.469
  462   1HD1  LEU  61          1HD1      LEU  61  -1.726   9.722  -5.111
  463   2HD1  LEU  61          2HD1      LEU  61  -0.035   9.368  -5.462
  464   3HD1  LEU  61          3HD1      LEU  61  -0.701   8.995  -3.875
  465   1HD2  LEU  61          1HD2      LEU  61   0.112   6.585  -4.248
  466   2HD2  LEU  61          2HD2      LEU  61   0.719   7.092  -5.826
  467   3HD2  LEU  61          3HD2      LEU  61  -0.403   5.733  -5.702
  468    H    PHE  62           H        PHE  62  -1.705   3.812  -5.936
  469    HA   PHE  62           HA       PHE  62  -1.364   2.547  -3.279
  470   1HB   PHE  62          2HB       PHE  62  -1.176   1.234  -5.978
  471   2HB   PHE  62          1HB       PHE  62  -1.006   0.449  -4.435
  472    HD1  PHE  62           1HD      PHE  62  -3.375   1.808  -6.834
  473    HD2  PHE  62           2HD      PHE  62  -2.923  -0.012  -3.024
  474    HE1  PHE  62           1HE      PHE  62  -5.761   1.285  -6.811
  475    HE2  PHE  62           2HE      PHE  62  -5.322  -0.543  -2.986
  476    HZ   PHE  62           HZ       PHE  62  -6.749   0.106  -4.888
  477    H    LEU  63           H        LEU  63   0.682   1.874  -2.665
  478    HA   LEU  63           HA       LEU  63   2.885   2.417  -4.507
  479   1HB   LEU  63          2HB       LEU  63   2.834   3.175  -1.595
  480   2HB   LEU  63          1HB       LEU  63   4.256   3.176  -2.600
  481    HG   LEU  63           HG       LEU  63   2.970   4.912  -4.020
  482   1HD1  LEU  63          1HD1      LEU  63   1.386   6.283  -2.761
  483   2HD1  LEU  63          2HD1      LEU  63   1.389   5.080  -1.476
  484   3HD1  LEU  63          3HD1      LEU  63   0.787   4.656  -3.079
  485   1HD2  LEU  63          1HD2      LEU  63   4.935   5.455  -2.716
  486   2HD2  LEU  63          2HD2      LEU  63   3.943   5.616  -1.262
  487   3HD2  LEU  63          3HD2      LEU  63   3.740   6.748  -2.595
  488    H    LYS  64           H        LYS  64   4.620   0.963  -4.452
  489    HA   LYS  64           HA       LYS  64   4.453  -1.288  -2.628
  490   1HB   LYS  64          2HB       LYS  64   5.828  -0.799  -5.260
  491   2HB   LYS  64          1HB       LYS  64   6.106  -2.207  -4.276
  492   1HG   LYS  64          2HG       LYS  64   3.485  -1.403  -5.513
  493   2HG   LYS  64          1HG       LYS  64   4.582  -2.580  -6.208
  494   1HD   LYS  64          2HD       LYS  64   3.262  -2.869  -3.494
  495   2HD   LYS  64          1HD       LYS  64   2.664  -3.603  -4.979
  496   1HE   LYS  64          2HE       LYS  64   4.747  -4.868  -5.201
  497   2HE   LYS  64          1HE       LYS  64   5.370  -4.110  -3.739
  498   1HZ   LYS  64          1HZ       LYS  64   4.467  -6.354  -3.352
  499   2HZ   LYS  64          2HZ       LYS  64   2.904  -5.798  -3.746
  500   3HZ   LYS  64          3HZ       LYS  64   3.740  -5.156  -2.443
  501    H    VAL  65           H        VAL  65   5.816  -1.016  -0.950
  502    HA   VAL  65           HA       VAL  65   8.241   0.584  -1.401
  503    HB   VAL  65           HB       VAL  65   6.703   0.183   1.177
  504   1HG1  VAL  65          1HG1      VAL  65   9.086   0.411   1.595
  505   2HG1  VAL  65          2HG1      VAL  65   8.225   1.859   2.123
  506   3HG1  VAL  65          3HG1      VAL  65   9.133   1.873   0.609
  507   1HG2  VAL  65          1HG2      VAL  65   6.989   2.618  -0.576
  508   2HG2  VAL  65          2HG2      VAL  65   6.181   2.571   0.989
  509   3HG2  VAL  65          3HG2      VAL  65   5.532   1.650  -0.367
  510    H    ASP  66           H        ASP  66  10.001  -0.629  -1.469
  511    HA   ASP  66           HA       ASP  66  10.092  -3.235  -0.219
  512   1HB   ASP  66          2HB       ASP  66  11.266  -2.843  -2.384
  513   2HB   ASP  66          1HB       ASP  66  12.257  -1.656  -1.540
  514    H    THR  67           H        THR  67  10.359  -3.385   1.857
  515    HA   THR  67           HA       THR  67  11.201  -1.211   3.460
  516    HB   THR  67           HB       THR  67  10.925  -2.831   5.340
  517    HG1  THR  67           1HG      THR  67  11.171  -4.829   4.747
  518   1HG2  THR  67          1HG2      THR  67   9.010  -1.513   4.511
  519   2HG2  THR  67          2HG2      THR  67   8.499  -3.117   5.040
  520   3HG2  THR  67          3HG2      THR  67   8.671  -2.769   3.319
  521    H    ASP  68           H        ASP  68  12.980  -3.513   1.849
  522    HA   ASP  68           HA       ASP  68  15.104  -3.709   3.783
  523   1HB   ASP  68          2HB       ASP  68  14.655  -5.461   2.084
  524   2HB   ASP  68          1HB       ASP  68  15.081  -4.318   0.835
  525    H    GLU  69           H        GLU  69  14.502  -2.021   0.736
  526    HA   GLU  69           HA       GLU  69  16.799  -0.391   0.892
  527   1HB   GLU  69          2HB       GLU  69  14.281  -0.311  -0.695
  528   2HB   GLU  69          1HB       GLU  69  15.467   0.963  -0.798
  529   1HG   GLU  69          2HG       GLU  69  17.135  -0.814  -1.496
  530   2HG   GLU  69          1HG       GLU  69  15.775  -1.937  -1.524
  531    H    LEU  70           H        LEU  70  13.282   0.326   1.345
  532    HA   LEU  70           HA       LEU  70  13.908   2.828   2.571
  533   1HB   LEU  70          2HB       LEU  70  11.386   1.338   1.886
  534   2HB   LEU  70          1HB       LEU  70  11.397   2.841   2.753
  535    HG   LEU  70           HG       LEU  70  10.808   3.300   0.494
  536   1HD1  LEU  70          1HD1      LEU  70  12.194   4.968   1.478
  537   2HD1  LEU  70          2HD1      LEU  70  12.520   4.838  -0.246
  538   3HD1  LEU  70          3HD1      LEU  70  13.649   4.145   0.915
  539   1HD2  LEU  70          1HD2      LEU  70  13.318   1.863  -0.358
  540   2HD2  LEU  70          2HD2      LEU  70  12.220   2.750  -1.419
  541   3HD2  LEU  70          3HD2      LEU  70  11.660   1.296  -0.593
  542    H    LYS  71           H        LYS  71  15.097   1.160   3.996
  543    HA   LYS  71           HA       LYS  71  13.731  -0.424   5.864
  544   1HB   LYS  71          2HB       LYS  71  16.114  -0.555   5.038
  545   2HB   LYS  71          1HB       LYS  71  16.469   0.780   6.117
  546   1HG   LYS  71          2HG       LYS  71  15.745  -0.617   8.020
  547   2HG   LYS  71          1HG       LYS  71  15.450  -1.909   6.828
  548   1HD   LYS  71          2HD       LYS  71  17.764  -1.895   6.155
  549   2HD   LYS  71          1HD       LYS  71  18.106  -0.578   7.270
  550   1HE   LYS  71          2HE       LYS  71  17.592  -2.007   9.160
  551   2HE   LYS  71          1HE       LYS  71  17.153  -3.324   8.071
  552   1HZ   LYS  71          1HZ       LYS  71  19.414  -3.354   7.251
  553   2HZ   LYS  71          2HZ       LYS  71  19.403  -3.592   8.911
  554   3HZ   LYS  71          3HZ       LYS  71  19.856  -2.101   8.289
  555    H    SER  72           H        SER  72  15.028   2.857   5.956
  556    HA   SER  72           HA       SER  72  14.470   3.429   8.650
  557   1HB   SER  72          2HB       SER  72  14.608   5.269   6.285
  558   2HB   SER  72          1HB       SER  72  14.690   5.793   7.970
  559    HG   SER  72           HG       SER  72  16.577   4.460   6.398
  560    H    VAL  73           H        VAL  73  12.517   3.543   5.761
  561    HA   VAL  73           HA       VAL  73  10.326   4.978   6.864
  562    HB   VAL  73           HB       VAL  73  10.430   3.102   4.481
  563   1HG1  VAL  73          1HG1      VAL  73   8.379   4.214   3.728
  564   2HG1  VAL  73          2HG1      VAL  73   8.335   5.137   5.229
  565   3HG1  VAL  73          3HG1      VAL  73   8.142   3.385   5.268
  566   1HG2  VAL  73          1HG2      VAL  73  10.562   5.156   3.138
  567   2HG2  VAL  73          2HG2      VAL  73  11.935   4.997   4.233
  568   3HG2  VAL  73          3HG2      VAL  73  10.623   6.108   4.621
  569    H    ALA  74           H        ALA  74  11.106   1.581   6.416
  570    HA   ALA  74           HA       ALA  74   8.736   0.435   7.414
  571   1HB   ALA  74          1HB       ALA  74  11.557  -0.627   7.642
  572   2HB   ALA  74          2HB       ALA  74  10.494  -0.844   6.253
  573   3HB   ALA  74          3HB       ALA  74  10.075  -1.575   7.802
  574    H    SER  75           H        SER  75  11.641   1.533   9.082
  575    HA   SER  75           HA       SER  75  10.712   0.723  11.636
  576   1HB   SER  75          2HB       SER  75  12.841   2.732  10.890
  577   2HB   SER  75          1HB       SER  75  12.628   1.985  12.477
  578    HG   SER  75           HG       SER  75  12.668   0.054  10.699
  579    H    ASP  76           H        ASP  76  10.335   3.597   9.704
  580    HA   ASP  76           HA       ASP  76   9.490   5.338  11.803
  581   1HB   ASP  76          2HB       ASP  76  10.443   6.240   9.745
  582   2HB   ASP  76          1HB       ASP  76   9.141   5.530   8.805
  583    H    TRP  77           H        TRP  77   7.800   3.270   9.509
  584    HA   TRP  77           HA       TRP  77   5.264   4.074  10.582
  585   1HB   TRP  77          2HB       TRP  77   6.006   2.242   8.348
  586   2HB   TRP  77          1HB       TRP  77   4.329   2.479   8.840
  587    HD1  TRP  77           HD       TRP  77   7.301   4.495   7.416
  588    HE1  TRP  77           1HE      TRP  77   6.385   6.479   6.093
  589    HE3  TRP  77           3HE      TRP  77   2.339   3.900   8.403
  590    HZ2  TRP  77           2HZ      TRP  77   3.880   7.648   5.514
  591    HZ3  TRP  77           3HZ      TRP  77   0.747   5.485   7.426
  592    HH2  TRP  77           HH       TRP  77   1.499   7.327   6.007
  593    H    ALA  78           H        ALA  78   7.548   2.124  11.550
  594    HA   ALA  78           HA       ALA  78   7.839   0.411  12.923
  595   1HB   ALA  78          1HB       ALA  78   4.948   0.791  13.701
  596   2HB   ALA  78          2HB       ALA  78   6.315   1.680  14.376
  597   3HB   ALA  78          3HB       ALA  78   6.184  -0.060  14.632
  598    H    ILE  79           H        ILE  79   8.273  -1.047  11.393
  599    HA   ILE  79           HA       ILE  79   6.204  -3.087  10.888
  600    HB   ILE  79           HB       ILE  79   8.307  -2.085   8.949
  601   1HG1  ILE  79          2HG1      ILE  79   5.290  -1.799   8.894
  602   2HG1  ILE  79          1HG1      ILE  79   6.449  -0.517   9.193
  603   1HG2  ILE  79          1HG2      ILE  79   7.269  -3.622   7.333
  604   2HG2  ILE  79          2HG2      ILE  79   6.198  -4.224   8.595
  605   3HG2  ILE  79          3HG2      ILE  79   7.938  -4.488   8.717
  606   1HD1  ILE  79          1HD1      ILE  79   7.300  -0.786   6.922
  607   2HD1  ILE  79          2HD1      ILE  79   5.572  -0.423   6.958
  608   3HD1  ILE  79          3HD1      ILE  79   6.125  -2.068   6.658
  609    H    GLN  80           H        GLN  80   6.773  -4.843  11.832
  610    HA   GLN  80           HA       GLN  80   9.606  -5.380  12.343
  611   1HB   GLN  80          2HB       GLN  80   7.765  -5.531  14.160
  612   2HB   GLN  80          1HB       GLN  80   7.216  -6.961  13.324
  613   1HG   GLN  80          2HG       GLN  80   9.975  -6.647  14.494
  614   2HG   GLN  80          1HG       GLN  80   8.626  -7.366  15.352
  615   1HE2  GLN  80          1HE2      GLN  80  11.191  -8.456  14.667
  616   2HE2  GLN  80          2HE2      GLN  80  10.918  -9.877  13.724
  617    H    ALA  81           H        ALA  81   6.739  -6.645  10.745
  618    HA   ALA  81           HA       ALA  81   8.438  -8.575   9.356
  619   1HB   ALA  81          1HB       ALA  81   7.230  -9.746  11.134
  620   2HB   ALA  81          2HB       ALA  81   6.710 -10.278   9.534
  621   3HB   ALA  81          3HB       ALA  81   5.701  -9.176  10.468
  622    H    MET  82           H        MET  82   8.048  -8.827   7.282
  623    HA   MET  82           HA       MET  82   6.103  -7.080   6.075
  624   1HB   MET  82          2HB       MET  82   8.428  -8.577   4.971
  625   2HB   MET  82          1HB       MET  82   7.262  -7.754   3.951
  626   1HG   MET  82          2HG       MET  82   8.916  -6.226   4.222
  627   2HG   MET  82          1HG       MET  82   7.668  -5.717   5.290
  628   1HE   MET  82          1HE       MET  82  11.197  -7.505   5.184
  629   2HE   MET  82          2HE       MET  82  10.211  -8.678   6.060
  630   3HE   MET  82          3HE       MET  82  11.492  -7.806   6.893
  631    HA   PRO  83           HA       PRO  83   5.286  -6.997   4.029
  632   1HB   PRO  83          2HB       PRO  83   3.042  -7.159   2.610
  633   2HB   PRO  83          1HB       PRO  83   4.498  -8.022   2.097
  634   1HG   PRO  83          2HG       PRO  83   2.033  -9.075   3.384
  635   2HG   PRO  83          1HG       PRO  83   3.107  -9.843   2.207
  636   1HD   PRO  83          2HD       PRO  83   3.119 -10.242   5.006
  637   2HD   PRO  83          1HD       PRO  83   4.343 -10.791   3.849
  638    H    THR  84           H        THR  84   4.089  -5.132   4.412
  639    HA   THR  84           HA       THR  84   1.907  -5.440   6.324
  640    HB   THR  84           HB       THR  84   3.867  -3.249   6.087
  641    HG1  THR  84           1HG      THR  84   4.118  -5.578   7.304
  642   1HG2  THR  84          1HG2      THR  84   1.684  -3.671   8.134
  643   2HG2  THR  84          2HG2      THR  84   1.727  -2.413   6.897
  644   3HG2  THR  84          3HG2      THR  84   2.895  -2.388   8.220
  645    H    PHE  85           H        PHE  85   0.012  -4.712   5.545
  646    HA   PHE  85           HA       PHE  85   0.046  -2.927   3.252
  647   1HB   PHE  85          2HB       PHE  85  -2.148  -4.667   4.423
  648   2HB   PHE  85          1HB       PHE  85  -2.267  -3.628   3.033
  649    HD1  PHE  85           1HD      PHE  85  -0.791  -6.726   4.333
  650    HD2  PHE  85           2HD      PHE  85  -1.461  -4.302   0.900
  651    HE1  PHE  85           1HE      PHE  85  -0.110  -8.590   2.884
  652    HE2  PHE  85           2HE      PHE  85  -0.780  -6.158  -0.548
  653    HZ   PHE  85           HZ       PHE  85  -0.104  -8.300   0.437
  654    H    MET  86           H        MET  86  -0.417  -0.884   3.778
  655    HA   MET  86           HA       MET  86  -1.976  -0.573   6.212
  656   1HB   MET  86          2HB       MET  86   0.389  -0.030   6.578
  657   2HB   MET  86          1HB       MET  86   0.307   1.212   5.348
  658   1HG   MET  86          2HG       MET  86  -0.959   2.599   6.674
  659   2HG   MET  86          1HG       MET  86  -1.471   1.398   7.825
  660   1HE   MET  86          1HE       MET  86  -0.708   2.377  10.039
  661   2HE   MET  86          2HE       MET  86  -0.527   3.862   9.110
  662   3HE   MET  86          3HE       MET  86   0.749   3.358  10.220
  663    H    PHE  87           H        PHE  87  -3.765   0.420   6.051
  664    HA   PHE  87           HA       PHE  87  -4.460   1.557   3.513
  665   1HB   PHE  87          2HB       PHE  87  -5.935   0.306   5.789
  666   2HB   PHE  87          1HB       PHE  87  -6.742   1.099   4.462
  667    HD1  PHE  87           1HD      PHE  87  -7.043  -0.050   2.383
  668    HD2  PHE  87           2HD      PHE  87  -4.549  -1.731   5.392
  669    HE1  PHE  87           1HE      PHE  87  -6.951  -2.161   1.126
  670    HE2  PHE  87           2HE      PHE  87  -4.455  -3.845   4.139
  671    HZ   PHE  87           HZ       PHE  87  -5.654  -4.062   2.004
  672    H    LEU  88           H        LEU  88  -4.556   3.678   3.463
  673    HA   LEU  88           HA       LEU  88  -5.289   5.024   5.910
  674   1HB   LEU  88          2HB       LEU  88  -3.479   6.101   3.719
  675   2HB   LEU  88          1HB       LEU  88  -3.969   6.982   5.132
  676    HG   LEU  88           HG       LEU  88  -2.645   5.235   6.479
  677   1HD1  LEU  88          1HD1      LEU  88  -0.845   4.105   5.296
  678   2HD1  LEU  88          2HD1      LEU  88  -1.524   4.632   3.757
  679   3HD1  LEU  88          3HD1      LEU  88  -2.431   3.526   4.788
  680   1HD2  LEU  88          1HD2      LEU  88  -1.198   7.060   4.575
  681   2HD2  LEU  88          2HD2      LEU  88  -0.535   6.379   6.058
  682   3HD2  LEU  88          3HD2      LEU  88  -1.884   7.512   6.136
  683    H    LYS  89           H        LYS  89  -6.398   7.169   5.319
  684    HA   LYS  89           HA       LYS  89  -7.377   7.267   2.572
  685   1HB   LYS  89          2HB       LYS  89  -9.220   6.354   3.960
  686   2HB   LYS  89          1HB       LYS  89  -9.106   7.782   4.995
  687   1HG   LYS  89          2HG       LYS  89  -9.694   9.199   3.077
  688   2HG   LYS  89          1HG       LYS  89  -9.816   7.745   2.086
  689   1HD   LYS  89          2HD       LYS  89 -11.539   8.336   4.497
  690   2HD   LYS  89          1HD       LYS  89 -12.007   8.651   2.833
  691   1HE   LYS  89          2HE       LYS  89 -11.744   6.235   2.346
  692   2HE   LYS  89          1HE       LYS  89 -11.385   5.962   4.048
  693   1HZ   LYS  89          1HZ       LYS  89 -13.716   5.503   3.577
  694   2HZ   LYS  89          2HZ       LYS  89 -13.932   7.030   2.951
  695   3HZ   LYS  89          3HZ       LYS  89 -13.596   6.840   4.593
  696    H    GLU  90           H        GLU  90  -7.029   9.162   1.673
  697    HA   GLU  90           HA       GLU  90  -6.437  11.190   1.309
  698   1HB   GLU  90          2HB       GLU  90  -7.326  11.798   4.109
  699   2HB   GLU  90          1HB       GLU  90  -6.944  13.043   2.936
  700   1HG   GLU  90          2HG       GLU  90  -8.828  12.240   1.554
  701   2HG   GLU  90          1HG       GLU  90  -9.214  11.058   2.799
  702    H    GLY  91           H        GLY  91  -4.778   9.240   2.913
  703   1HA   GLY  91          2HA       GLY  91  -2.453   9.245   3.397
  704   2HA   GLY  91          1HA       GLY  91  -2.515  11.001   3.523
  705    H    LYS  92           H        LYS  92  -5.087   9.764   5.186
  706    HA   LYS  92           HA       LYS  92  -3.785  10.138   7.780
  707   1HB   LYS  92          2HB       LYS  92  -6.696   9.851   7.020
  708   2HB   LYS  92          1HB       LYS  92  -6.066  10.341   8.585
  709   1HG   LYS  92          2HG       LYS  92  -5.283  12.401   7.720
  710   2HG   LYS  92          1HG       LYS  92  -5.583  11.889   6.061
  711   1HD   LYS  92          2HD       LYS  92  -7.990  11.773   6.561
  712   2HD   LYS  92          1HD       LYS  92  -7.657  12.366   8.192
  713   1HE   LYS  92          2HE       LYS  92  -6.804  14.419   7.330
  714   2HE   LYS  92          1HE       LYS  92  -6.922  13.833   5.674
  715   1HZ   LYS  92          1HZ       LYS  92  -8.723  15.295   6.234
  716   2HZ   LYS  92          2HZ       LYS  92  -9.275  14.282   7.475
  717   3HZ   LYS  92          3HZ       LYS  92  -9.290  13.766   5.867
  718    H    ILE  93           H        ILE  93  -3.513   8.427   9.105
  719    HA   ILE  93           HA       ILE  93  -3.704   5.809   8.084
  720    HB   ILE  93           HB       ILE  93  -3.053   6.823  10.852
  721   1HG1  ILE  93          2HG1      ILE  93  -1.298   5.608   8.741
  722   2HG1  ILE  93          1HG1      ILE  93  -1.485   7.320   8.888
  723   1HG2  ILE  93          1HG2      ILE  93  -2.822   3.998   9.797
  724   2HG2  ILE  93          2HG2      ILE  93  -3.935   4.545  11.051
  725   3HG2  ILE  93          3HG2      ILE  93  -2.195   4.565  11.344
  726   1HD1  ILE  93          1HD1      ILE  93  -0.547   7.185  11.191
  727   2HD1  ILE  93          2HD1      ILE  93   0.565   6.597   9.955
  728   3HD1  ILE  93          3HD1      ILE  93  -0.328   5.452  10.957
  729    H    LEU  94           H        LEU  94  -5.300   4.397   8.058
  730    HA   LEU  94           HA       LEU  94  -7.458   4.749   9.947
  731   1HB   LEU  94          2HB       LEU  94  -7.350   3.326   7.314
  732   2HB   LEU  94          1HB       LEU  94  -8.737   3.317   8.373
  733    HG   LEU  94           HG       LEU  94  -7.594   5.691   6.888
  734   1HD1  LEU  94          1HD1      LEU  94 -10.186   4.199   6.634
  735   2HD1  LEU  94          2HD1      LEU  94  -8.869   4.287   5.447
  736   3HD1  LEU  94          3HD1      LEU  94  -9.809   5.719   5.836
  737   1HD2  LEU  94          1HD2      LEU  94  -8.380   6.409   9.099
  738   2HD2  LEU  94          2HD2      LEU  94  -9.939   5.629   8.796
  739   3HD2  LEU  94          3HD2      LEU  94  -9.429   6.999   7.815
  740    H    ASP  95           H        ASP  95  -5.604   2.165   8.253
  741    HA   ASP  95           HA       ASP  95  -5.209   0.839  10.721
  742   1HB   ASP  95          2HB       ASP  95  -6.136  -1.268   9.955
  743   2HB   ASP  95          1HB       ASP  95  -7.369  -0.101  10.433
  744    H    LYS  96           H        LYS  96  -3.944  -1.062  10.575
  745    HA   LYS  96           HA       LYS  96  -2.378  -1.279   8.102
  746   1HB   LYS  96          2HB       LYS  96  -0.279  -1.386   9.431
  747   2HB   LYS  96          1HB       LYS  96  -1.066   0.182   9.517
  748   1HG   LYS  96          2HG       LYS  96  -1.975  -0.404  11.722
  749   2HG   LYS  96          1HG       LYS  96  -1.171  -1.969  11.629
  750   1HD   LYS  96          2HD       LYS  96   0.207   0.725  11.624
  751   2HD   LYS  96          1HD       LYS  96   0.071  -0.345  13.015
  752   1HE   LYS  96          2HE       LYS  96   1.322  -2.076  11.726
  753   2HE   LYS  96          1HE       LYS  96   1.542  -0.899  10.435
  754   1HZ   LYS  96          1HZ       LYS  96   3.485  -0.993  11.908
  755   2HZ   LYS  96          2HZ       LYS  96   2.519  -0.619  13.217
  756   3HZ   LYS  96          3HZ       LYS  96   2.762   0.530  12.006
  757    H    VAL  97           H        VAL  97  -1.813  -3.319   7.538
  758    HA   VAL  97           HA       VAL  97  -2.474  -5.517   9.406
  759    HB   VAL  97           HB       VAL  97  -2.377  -5.514   6.368
  760   1HG1  VAL  97          1HG1      VAL  97  -3.236  -7.698   8.255
  761   2HG1  VAL  97          2HG1      VAL  97  -1.772  -7.680   7.270
  762   3HG1  VAL  97          3HG1      VAL  97  -3.356  -7.753   6.495
  763   1HG2  VAL  97          1HG2      VAL  97  -4.764  -5.615   8.206
  764   2HG2  VAL  97          2HG2      VAL  97  -4.818  -5.802   6.455
  765   3HG2  VAL  97          3HG2      VAL  97  -4.305  -4.270   7.162
  766    H    VAL  98           H        VAL  98  -0.666  -6.503  10.154
  767    HA   VAL  98           HA       VAL  98   1.704  -6.394   8.476
  768    HB   VAL  98           HB       VAL  98   1.962  -5.191  10.577
  769   1HG1  VAL  98          1HG1      VAL  98   1.980  -6.293  12.754
  770   2HG1  VAL  98          2HG1      VAL  98   1.417  -7.777  11.983
  771   3HG1  VAL  98          3HG1      VAL  98   0.389  -6.347  11.983
  772   1HG2  VAL  98          1HG2      VAL  98   3.584  -7.726  10.526
  773   2HG2  VAL  98          2HG2      VAL  98   4.015  -6.268  11.421
  774   3HG2  VAL  98          3HG2      VAL  98   3.941  -6.236   9.658
  775    H    GLY  99           H        GLY  99   2.206  -8.178   7.497
  776   1HA   GLY  99          2HA       GLY  99   2.938 -10.465   7.647
  777   2HA   GLY  99          1HA       GLY  99   1.634 -10.749   8.804
  778    H    ALA 100           H        ALA 100   2.063 -12.187   6.312
  779    HA   ALA 100           HA       ALA 100   0.012 -11.075   4.573
  780   1HB   ALA 100          1HB       ALA 100   2.060 -11.945   3.549
  781   2HB   ALA 100          2HB       ALA 100   0.640 -12.852   3.021
  782   3HB   ALA 100          3HB       ALA 100   1.723 -13.532   4.235
  783    H    LYS 101           H        LYS 101  -1.945 -11.396   5.260
  784    HA   LYS 101           HA       LYS 101  -2.788 -14.122   5.845
  785   1HB   LYS 101          2HB       LYS 101  -3.892 -11.525   6.849
  786   2HB   LYS 101          1HB       LYS 101  -4.566 -13.109   7.163
  787   1HG   LYS 101          2HG       LYS 101  -2.521 -13.646   8.496
  788   2HG   LYS 101          1HG       LYS 101  -1.969 -11.980   8.230
  789   1HD   LYS 101          2HD       LYS 101  -4.016 -11.235   9.166
  790   2HD   LYS 101          1HD       LYS 101  -4.442 -12.919   9.478
  791   1HE   LYS 101          2HE       LYS 101  -2.466 -13.107  10.932
  792   2HE   LYS 101          1HE       LYS 101  -2.115 -11.403  10.651
  793   1HZ   LYS 101          1HZ       LYS 101  -4.283 -10.839  11.613
  794   2HZ   LYS 101          2HZ       LYS 101  -3.345 -11.689  12.736
  795   3HZ   LYS 101          3HZ       LYS 101  -4.582 -12.459  11.907
  796    H    LYS 102           H        LYS 102  -4.142 -14.794   4.264
  797    HA   LYS 102           HA       LYS 102  -4.963 -13.043   2.253
  798   1HB   LYS 102          2HB       LYS 102  -4.512 -15.394   1.848
  799   2HB   LYS 102          1HB       LYS 102  -5.835 -15.839   2.914
  800   1HG   LYS 102          2HG       LYS 102  -7.429 -14.828   1.421
  801   2HG   LYS 102          1HG       LYS 102  -6.102 -14.286   0.386
  802   1HD   LYS 102          2HD       LYS 102  -6.735 -17.191   0.971
  803   2HD   LYS 102          1HD       LYS 102  -7.274 -16.326  -0.467
  804   1HE   LYS 102          2HE       LYS 102  -4.945 -15.925  -1.103
  805   2HE   LYS 102          1HE       LYS 102  -4.393 -16.758   0.343
  806   1HZ   LYS 102          1HZ       LYS 102  -5.382 -18.800  -0.491
  807   2HZ   LYS 102          2HZ       LYS 102  -4.318 -18.187  -1.641
  808   3HZ   LYS 102          3HZ       LYS 102  -5.974 -18.002  -1.849
  809    H    ASP 103           H        ASP 103  -6.678 -14.634   4.943
  810    HA   ASP 103           HA       ASP 103  -9.200 -13.551   4.221
  811   1HB   ASP 103          2HB       ASP 103  -9.176 -15.619   5.420
  812   2HB   ASP 103          1HB       ASP 103  -8.320 -14.890   6.772
  813    H    GLU 104           H        GLU 104  -6.845 -12.583   6.697
  814    HA   GLU 104           HA       GLU 104  -8.494 -10.530   7.755
  815   1HB   GLU 104          2HB       GLU 104  -6.508 -11.398   8.975
  816   2HB   GLU 104          1HB       GLU 104  -5.478 -10.667   7.755
  817   1HG   GLU 104          2HG       GLU 104  -6.232  -8.447   8.424
  818   2HG   GLU 104          1HG       GLU 104  -7.292  -9.165   9.632
  819    H    LEU 105           H        LEU 105  -6.277 -10.622   5.062
  820    HA   LEU 105           HA       LEU 105  -6.215  -7.873   4.496
  821   1HB   LEU 105          2HB       LEU 105  -4.787  -9.659   3.461
  822   2HB   LEU 105          1HB       LEU 105  -6.185 -10.184   2.588
  823    HG   LEU 105           HG       LEU 105  -6.340  -8.091   1.384
  824   1HD1  LEU 105          1HD1      LEU 105  -4.520  -6.433   1.519
  825   2HD1  LEU 105          2HD1      LEU 105  -3.819  -7.327   2.870
  826   3HD1  LEU 105          3HD1      LEU 105  -5.402  -6.571   3.037
  827   1HD2  LEU 105          1HD2      LEU 105  -4.318  -8.349   0.013
  828   2HD2  LEU 105          2HD2      LEU 105  -5.035  -9.905   0.427
  829   3HD2  LEU 105          3HD2      LEU 105  -3.599  -9.343   1.279
  830    H    GLN 106           H        GLN 106  -8.132 -10.487   3.198
  831    HA   GLN 106           HA       GLN 106  -9.947  -8.995   1.684
  832   1HB   GLN 106          2HB       GLN 106 -10.399 -11.631   3.066
  833   2HB   GLN 106          1HB       GLN 106 -11.533 -10.929   1.929
  834   1HG   GLN 106          2HG       GLN 106  -8.698 -11.740   1.341
  835   2HG   GLN 106          1HG       GLN 106 -10.156 -12.607   0.868
  836   1HE2  GLN 106          1HE2      GLN 106  -8.036 -11.493  -0.779
  837   2HE2  GLN 106          2HE2      GLN 106  -8.804 -10.398  -1.863
  838    H    SER 107           H        SER 107 -10.073  -9.778   5.100
  839    HA   SER 107           HA       SER 107 -12.679  -8.748   5.571
  840   1HB   SER 107          2HB       SER 107 -10.351  -8.923   7.518
  841   2HB   SER 107          1HB       SER 107 -12.050  -8.753   7.951
  842    HG   SER 107           HG       SER 107 -10.761 -10.973   6.728
  843    H    THR 108           H        THR 108  -9.471  -7.328   5.644
  844    HA   THR 108           HA       THR 108 -10.290  -4.774   6.520
  845    HB   THR 108           HB       THR 108  -7.827  -5.630   4.979
  846    HG1  THR 108           1HG      THR 108  -7.709  -6.661   6.895
  847   1HG2  THR 108          1HG2      THR 108  -8.215  -3.206   4.857
  848   2HG2  THR 108          2HG2      THR 108  -6.821  -3.572   5.871
  849   3HG2  THR 108          3HG2      THR 108  -8.363  -3.139   6.613
  850    H    ILE 109           H        ILE 109  -9.904  -6.280   3.361
  851    HA   ILE 109           HA       ILE 109 -10.321  -3.978   1.810
  852    HB   ILE 109           HB       ILE 109 -11.121  -6.823   1.104
  853   1HG1  ILE 109          2HG1      ILE 109  -8.729  -6.693   1.615
  854   2HG1  ILE 109          1HG1      ILE 109  -8.971  -6.937  -0.109
  855   1HG2  ILE 109          1HG2      ILE 109 -10.655  -4.417  -0.632
  856   2HG2  ILE 109          2HG2      ILE 109 -12.208  -5.169  -0.299
  857   3HG2  ILE 109          3HG2      ILE 109 -10.983  -6.045  -1.240
  858   1HD1  ILE 109          1HD1      ILE 109  -8.543  -4.559  -0.486
  859   2HD1  ILE 109          2HD1      ILE 109  -7.188  -5.359   0.309
  860   3HD1  ILE 109          3HD1      ILE 109  -8.275  -4.332   1.244
  861    H    ALA 110           H        ALA 110 -12.603  -6.394   3.097
  862    HA   ALA 110           HA       ALA 110 -14.909  -5.140   2.022
  863   1HB   ALA 110          1HB       ALA 110 -14.873  -7.507   2.727
  864   2HB   ALA 110          2HB       ALA 110 -16.171  -6.604   3.508
  865   3HB   ALA 110          3HB       ALA 110 -14.705  -6.988   4.404
  866    H    LYS 111           H        LYS 111 -13.123  -4.695   4.949
  867    HA   LYS 111           HA       LYS 111 -14.875  -3.128   6.484
  868   1HB   LYS 111          2HB       LYS 111 -12.614  -3.988   7.129
  869   2HB   LYS 111          1HB       LYS 111 -12.001  -2.770   6.047
  870   1HG   LYS 111          2HG       LYS 111 -12.985  -0.985   7.400
  871   2HG   LYS 111          1HG       LYS 111 -13.545  -2.191   8.560
  872   1HD   LYS 111          2HD       LYS 111 -11.253  -2.871   8.989
  873   2HD   LYS 111          1HD       LYS 111 -10.669  -1.719   7.791
  874   1HE   LYS 111          2HE       LYS 111 -11.675   0.103   9.134
  875   2HE   LYS 111          1HE       LYS 111 -12.102  -1.087  10.362
  876   1HZ   LYS 111          1HZ       LYS 111  -9.369  -0.426   9.438
  877   2HZ   LYS 111          2HZ       LYS 111  -9.734  -1.594  10.599
  878   3HZ   LYS 111          3HZ       LYS 111 -10.042   0.025  10.911
  879    H    HIS 112           H        HIS 112 -12.528  -2.274   4.021
  880    HA   HIS 112           HA       HIS 112 -13.183   0.511   4.124
  881   1HB   HIS 112          2HB       HIS 112 -11.252  -1.087   2.488
  882   2HB   HIS 112          1HB       HIS 112 -11.533   0.620   2.214
  883    HD1  HIS 112           1HD      HIS 112 -10.462   2.252   3.867
  884    HD2  HIS 112           2HD      HIS 112  -9.918  -1.720   4.870
  885    HE1  HIS 112           1HE      HIS 112  -8.754   2.285   5.669
  886    HE2  HIS 112           2HE      HIS 112  -8.665  -0.075   6.499
  887    H    LEU 113           H        LEU 113 -14.318  -2.242   2.255
  888    HA   LEU 113           HA       LEU 113 -14.937  -0.830  -0.055
  889   1HB   LEU 113          2HB       LEU 113 -14.573  -3.325   0.514
  890   2HB   LEU 113          1HB       LEU 113 -16.246  -3.236   1.015
  891    HG   LEU 113           HG       LEU 113 -15.938  -4.194  -1.106
  892   1HD1  LEU 113          1HD1      LEU 113 -17.589  -2.835  -2.444
  893   2HD1  LEU 113          2HD1      LEU 113 -17.348  -1.509  -1.308
  894   3HD1  LEU 113          3HD1      LEU 113 -18.075  -3.012  -0.757
  895   1HD2  LEU 113          1HD2      LEU 113 -15.237  -2.875  -3.086
  896   2HD2  LEU 113          2HD2      LEU 113 -13.967  -3.106  -1.886
  897   3HD2  LEU 113          3HD2      LEU 113 -14.802  -1.561  -2.000
  898    H    ALA 114           H        ALA 114 -16.434   0.683  -0.138
  899    HA   ALA 114           HA       ALA 114 -19.050   0.218   0.958
  900   1HB   ALA 114          1HB       ALA 114 -17.426   2.691   1.616
  901   2HB   ALA 114          2HB       ALA 114 -17.956   1.466   2.765
  902   3HB   ALA 114          3HB       ALA 114 -19.145   2.485   1.954
  Start of MODEL    9
    1    H    MET   1           H        MET   1  -8.459  -2.909 -16.934
    2    HA   MET   1           HA       MET   1  -7.485  -1.020 -17.268
    3   1HB   MET   1          2HB       MET   1  -5.806  -2.186 -18.604
    4   2HB   MET   1          1HB       MET   1  -6.799  -2.009 -20.041
    5   1HG   MET   1          2HG       MET   1  -6.542   0.414 -19.934
    6   2HG   MET   1          1HG       MET   1  -5.568   0.253 -18.472
    7   1HE   MET   1          1HE       MET   1  -2.386  -1.604 -19.822
    8   2HE   MET   1          2HE       MET   1  -3.824  -2.368 -19.161
    9   3HE   MET   1          3HE       MET   1  -3.175  -0.910 -18.408
   10    H    ALA   2           H        ALA   2  -9.543  -0.279 -16.952
   11    HA   ALA   2           HA       ALA   2 -10.558   1.219 -19.250
   12   1HB   ALA   2          1HB       ALA   2 -11.957   0.377 -16.695
   13   2HB   ALA   2          2HB       ALA   2 -12.235  -0.307 -18.292
   14   3HB   ALA   2          3HB       ALA   2 -12.675   1.370 -17.962
   15    H    SER   3           H        SER   3  -9.374   2.987 -19.139
   16    HA   SER   3           HA       SER   3  -8.480   4.912 -18.479
   17   1HB   SER   3          2HB       SER   3 -10.162   4.588 -15.957
   18   2HB   SER   3          1HB       SER   3  -9.317   6.061 -16.428
   19    HG   SER   3           HG       SER   3 -11.640   4.936 -17.377
   20    H    GLU   4           H        GLU   4  -7.296   5.743 -16.010
   21    HA   GLU   4           HA       GLU   4  -5.240   3.848 -15.967
   22   1HB   GLU   4          2HB       GLU   4  -4.281   5.385 -14.232
   23   2HB   GLU   4          1HB       GLU   4  -4.398   6.048 -15.849
   24   1HG   GLU   4          2HG       GLU   4  -6.243   6.621 -13.513
   25   2HG   GLU   4          1HG       GLU   4  -4.926   7.662 -14.040
   26    H    GLU   5           H        GLU   5  -5.555   2.048 -15.052
   27    HA   GLU   5           HA       GLU   5  -6.316   1.961 -12.225
   28   1HB   GLU   5          2HB       GLU   5  -7.500  -0.163 -12.678
   29   2HB   GLU   5          1HB       GLU   5  -8.243   1.175 -13.546
   30   1HG   GLU   5          2HG       GLU   5  -7.235   0.509 -15.597
   31   2HG   GLU   5          1HG       GLU   5  -6.255  -0.699 -14.781
   32    H    GLY   6           H        GLY   6  -5.458  -0.014 -11.200
   33   1HA   GLY   6          2HA       GLY   6  -3.993  -1.738 -10.938
   34   2HA   GLY   6          1HA       GLY   6  -3.673  -1.683 -12.661
   35    H    GLN   7           H        GLN   7  -3.225   1.311 -11.041
   36    HA   GLN   7           HA       GLN   7  -0.428   0.749 -11.358
   37   1HB   GLN   7          2HB       GLN   7   0.022   3.145 -11.122
   38   2HB   GLN   7          1HB       GLN   7  -0.896   2.641 -12.525
   39   1HG   GLN   7          2HG       GLN   7  -2.954   3.479 -11.433
   40   2HG   GLN   7          1HG       GLN   7  -2.010   3.932 -10.015
   41   1HE2  GLN   7          1HE2      GLN   7  -3.637   5.584 -11.706
   42   2HE2  GLN   7          2HE2      GLN   7  -2.616   6.828 -12.351
   43    H    VAL   8           H        VAL   8   0.849   0.597 -10.066
   44    HA   VAL   8           HA       VAL   8   0.322   1.132  -7.218
   45    HB   VAL   8           HB       VAL   8   2.020  -1.100  -8.385
   46   1HG1  VAL   8          1HG1      VAL   8   1.314  -0.466  -5.523
   47   2HG1  VAL   8          2HG1      VAL   8   2.897  -0.276  -6.276
   48   3HG1  VAL   8          3HG1      VAL   8   2.208  -1.889  -6.064
   49   1HG2  VAL   8          1HG2      VAL   8   0.342  -2.639  -7.451
   50   2HG2  VAL   8          2HG2      VAL   8  -0.355  -1.576  -8.675
   51   3HG2  VAL   8          3HG2      VAL   8  -0.640  -1.257  -6.964
   52    H    ILE   9           H        ILE   9   1.711   2.637  -6.458
   53    HA   ILE   9           HA       ILE   9   3.964   3.230  -8.174
   54    HB   ILE   9           HB       ILE   9   3.043   4.719  -5.693
   55   1HG1  ILE   9          2HG1      ILE   9   2.556   6.553  -7.398
   56   2HG1  ILE   9          1HG1      ILE   9   2.761   5.345  -8.638
   57   1HG2  ILE   9          1HG2      ILE   9   5.213   5.408  -7.669
   58   2HG2  ILE   9          2HG2      ILE   9   5.446   4.947  -5.984
   59   3HG2  ILE   9          3HG2      ILE   9   4.650   6.470  -6.383
   60   1HD1  ILE   9          1HD1      ILE   9   0.401   5.721  -8.177
   61   2HD1  ILE   9          2HD1      ILE   9   0.652   5.306  -6.482
   62   3HD1  ILE   9          3HD1      ILE   9   0.865   4.077  -7.732
   63    H    ALA  10           H        ALA  10   5.750   2.132  -7.865
   64    HA   ALA  10           HA       ALA  10   6.271   1.048  -5.222
   65   1HB   ALA  10          1HB       ALA  10   6.371  -0.524  -7.098
   66   2HB   ALA  10          2HB       ALA  10   7.961  -0.331  -6.359
   67   3HB   ALA  10          3HB       ALA  10   7.592   0.480  -7.881
   68    H    CYS  11           H        CYS  11   7.334   2.415  -3.962
   69    HA   CYS  11           HA       CYS  11   9.028   4.382  -5.149
   70   1HB   CYS  11          2HB       CYS  11   8.466   3.876  -2.244
   71   2HB   CYS  11          1HB       CYS  11   9.131   5.289  -2.997
   72    HG   CYS  11           HG       CYS  11   6.129   4.530  -4.237
   73    H    HIS  12           H        HIS  12  10.983   3.813  -5.589
   74    HA   HIS  12           HA       HIS  12  12.379   1.957  -3.811
   75   1HB   HIS  12          2HB       HIS  12  13.067   2.822  -6.639
   76   2HB   HIS  12          1HB       HIS  12  14.055   1.754  -5.651
   77    HD1  HIS  12           1HD      HIS  12  13.335  -0.692  -5.466
   78    HD2  HIS  12           2HD      HIS  12  10.670   1.681  -7.605
   79    HE1  HIS  12           1HE      HIS  12  11.738  -2.289  -6.598
   80    HE2  HIS  12           2HE      HIS  12  10.270  -0.834  -8.027
   81    H    THR  13           H        THR  13  11.749   5.026  -3.912
   82    HA   THR  13           HA       THR  13  14.287   5.783  -2.761
   83    HB   THR  13           HB       THR  13  14.143   8.013  -3.919
   84    HG1  THR  13           1HG      THR  13  12.908   7.903  -5.947
   85   1HG2  THR  13          1HG2      THR  13  15.728   6.332  -4.768
   86   2HG2  THR  13          2HG2      THR  13  15.060   7.287  -6.093
   87   3HG2  THR  13          3HG2      THR  13  14.465   5.655  -5.793
   88    H    VAL  14           H        VAL  14  13.992   7.432  -1.174
   89    HA   VAL  14           HA       VAL  14  11.342   7.480  -0.149
   90    HB   VAL  14           HB       VAL  14  13.329   7.467   1.371
   91   1HG1  VAL  14          1HG1      VAL  14  14.817   8.931   0.187
   92   2HG1  VAL  14          2HG1      VAL  14  14.568   9.515   1.833
   93   3HG1  VAL  14          3HG1      VAL  14  13.744  10.298   0.483
   94   1HG2  VAL  14          1HG2      VAL  14  11.483   9.820   1.756
   95   2HG2  VAL  14          2HG2      VAL  14  12.493   9.094   3.011
   96   3HG2  VAL  14          3HG2      VAL  14  11.202   8.154   2.271
   97    H    GLU  15           H        GLU  15  13.244   9.509  -2.274
   98    HA   GLU  15           HA       GLU  15  12.001  11.873  -2.179
   99   1HB   GLU  15          2HB       GLU  15  12.936  10.343  -4.615
  100   2HB   GLU  15          1HB       GLU  15  12.651  12.060  -4.463
  101   1HG   GLU  15          2HG       GLU  15  14.985  11.840  -4.408
  102   2HG   GLU  15          1HG       GLU  15  14.511  12.080  -2.734
  103    H    THR  16           H        THR  16  11.120   8.966  -4.112
  104    HA   THR  16           HA       THR  16   8.794  10.087  -5.247
  105    HB   THR  16           HB       THR  16   9.467   7.156  -4.810
  106    HG1  THR  16           1HG      THR  16  10.925   7.473  -6.243
  107   1HG2  THR  16          1HG2      THR  16   8.019   6.780  -6.770
  108   2HG2  THR  16          2HG2      THR  16   7.672   8.507  -6.845
  109   3HG2  THR  16          3HG2      THR  16   7.118   7.559  -5.467
  110    H    TRP  17           H        TRP  17   9.397   8.083  -2.428
  111    HA   TRP  17           HA       TRP  17   6.817   7.551  -1.574
  112   1HB   TRP  17          2HB       TRP  17   8.715   6.443  -0.600
  113   2HB   TRP  17          1HB       TRP  17   9.385   7.973  -0.062
  114    HD1  TRP  17           HD       TRP  17   9.137   8.337   2.410
  115    HE1  TRP  17           1HE      TRP  17   7.554   7.591   4.250
  116    HE3  TRP  17           3HE      TRP  17   5.842   5.671  -0.428
  117    HZ2  TRP  17           2HZ      TRP  17   5.181   6.073   4.497
  118    HZ3  TRP  17           3HZ      TRP  17   3.929   4.613   0.692
  119    HH2  TRP  17           HH       TRP  17   3.608   4.808   3.109
  120    H    ASN  18           H        ASN  18   8.890  10.292  -0.652
  121    HA   ASN  18           HA       ASN  18   7.039  11.627   1.001
  122   1HB   ASN  18          2HB       ASN  18   9.491  12.087   0.931
  123   2HB   ASN  18          1HB       ASN  18   9.294  12.785  -0.663
  124   1HD2  ASN  18          1HD2      ASN  18  10.344  13.941   1.834
  125   2HD2  ASN  18          2HD2      ASN  18   9.408  15.364   2.122
  126    H    GLU  19           H        GLU  19   7.763  11.918  -2.423
  127    HA   GLU  19           HA       GLU  19   6.151  14.103  -3.080
  128   1HB   GLU  19          2HB       GLU  19   7.924  13.064  -4.505
  129   2HB   GLU  19          1HB       GLU  19   6.833  11.729  -4.825
  130   1HG   GLU  19          2HG       GLU  19   6.843  13.243  -6.684
  131   2HG   GLU  19          1HG       GLU  19   5.269  13.299  -5.890
  132    H    GLN  20           H        GLN  20   5.343  10.574  -3.068
  133    HA   GLN  20           HA       GLN  20   2.775  10.969  -4.024
  134   1HB   GLN  20          2HB       GLN  20   4.291   8.783  -2.839
  135   2HB   GLN  20          1HB       GLN  20   2.565   8.594  -3.117
  136   1HG   GLN  20          2HG       GLN  20   4.673   9.225  -5.187
  137   2HG   GLN  20          1HG       GLN  20   3.868   7.667  -4.963
  138   1HE2  GLN  20          1HE2      GLN  20   3.908   9.415  -7.335
  139   2HE2  GLN  20          2HE2      GLN  20   2.254   9.760  -7.661
  140    H    LEU  21           H        LEU  21   4.109  10.700  -0.667
  141    HA   LEU  21           HA       LEU  21   1.670  10.420   0.560
  142   1HB   LEU  21          2HB       LEU  21   4.260  11.568   1.299
  143   2HB   LEU  21          1HB       LEU  21   2.950  11.422   2.433
  144    HG   LEU  21           HG       LEU  21   4.498   9.201   1.096
  145   1HD1  LEU  21          1HD1      LEU  21   5.225   8.693   3.374
  146   2HD1  LEU  21          2HD1      LEU  21   4.310  10.078   3.975
  147   3HD1  LEU  21          3HD1      LEU  21   5.685  10.327   2.897
  148   1HD2  LEU  21          1HD2      LEU  21   3.172   7.658   2.475
  149   2HD2  LEU  21          2HD2      LEU  21   2.155   8.532   1.338
  150   3HD2  LEU  21          3HD2      LEU  21   2.184   9.006   3.039
  151    H    GLN  22           H        GLN  22   3.571  13.263  -0.266
  152    HA   GLN  22           HA       GLN  22   1.799  15.018   0.959
  153   1HB   GLN  22          2HB       GLN  22   4.073  15.691   0.241
  154   2HB   GLN  22          1HB       GLN  22   3.554  15.597  -1.437
  155   1HG   GLN  22          2HG       GLN  22   3.553  17.897  -0.687
  156   2HG   GLN  22          1HG       GLN  22   1.908  17.363  -1.028
  157   1HE2  GLN  22          1HE2      GLN  22   4.148  18.300   1.441
  158   2HE2  GLN  22          2HE2      GLN  22   2.994  18.462   2.711
  159    H    LYS  23           H        LYS  23   1.840  13.546  -2.223
  160    HA   LYS  23           HA       LYS  23  -0.200  15.089  -3.380
  161   1HB   LYS  23          2HB       LYS  23   1.354  13.541  -4.614
  162   2HB   LYS  23          1HB       LYS  23   0.439  12.198  -3.967
  163   1HG   LYS  23          2HG       LYS  23  -1.559  12.964  -5.136
  164   2HG   LYS  23          1HG       LYS  23  -0.662  14.343  -5.776
  165   1HD   LYS  23          2HD       LYS  23   0.903  12.741  -6.859
  166   2HD   LYS  23          1HD       LYS  23  -0.136  11.422  -6.323
  167   1HE   LYS  23          2HE       LYS  23  -0.921  13.680  -8.176
  168   2HE   LYS  23          1HE       LYS  23  -0.602  12.016  -8.644
  169   1HZ   LYS  23          1HZ       LYS  23  -2.951  12.416  -8.489
  170   2HZ   LYS  23          2HZ       LYS  23  -2.832  12.954  -6.913
  171   3HZ   LYS  23          3HZ       LYS  23  -2.509  11.333  -7.281
  172    H    ALA  24           H        ALA  24  -0.282  12.023  -1.508
  173    HA   ALA  24           HA       ALA  24  -3.087  11.683  -1.799
  174   1HB   ALA  24          1HB       ALA  24  -2.843   9.948  -0.098
  175   2HB   ALA  24          2HB       ALA  24  -1.213  10.518   0.261
  176   3HB   ALA  24          3HB       ALA  24  -1.572   9.817  -1.317
  177    H    ASN  25           H        ASN  25  -1.060  13.331   0.449
  178    HA   ASN  25           HA       ASN  25  -2.948  13.753   2.571
  179   1HB   ASN  25          2HB       ASN  25  -0.448  13.837   2.713
  180   2HB   ASN  25          1HB       ASN  25  -0.505  15.280   1.775
  181   1HD2  ASN  25          1HD2      ASN  25   0.476  16.484   3.329
  182   2HD2  ASN  25          2HD2      ASN  25  -0.340  17.029   4.755
  183    H    GLU  26           H        GLU  26  -1.500  15.796   0.175
  184    HA   GLU  26           HA       GLU  26  -2.883  18.197   0.680
  185   1HB   GLU  26          2HB       GLU  26  -0.808  18.070  -0.592
  186   2HB   GLU  26          1HB       GLU  26  -1.639  17.238  -1.888
  187   1HG   GLU  26          2HG       GLU  26  -3.032  19.255  -2.218
  188   2HG   GLU  26          1HG       GLU  26  -2.056  20.076  -0.998
  189    H    SER  27           H        SER  27  -3.577  15.630  -1.682
  190    HA   SER  27           HA       SER  27  -5.917  17.077  -2.524
  191   1HB   SER  27          2HB       SER  27  -4.638  14.566  -3.521
  192   2HB   SER  27          1HB       SER  27  -6.048  15.345  -4.243
  193    HG   SER  27           HG       SER  27  -3.364  16.113  -4.249
  194    H    LYS  28           H        LYS  28  -5.248  15.027  -0.051
  195    HA   LYS  28           HA       LYS  28  -6.353  13.580   1.186
  196   1HB   LYS  28          2HB       LYS  28  -8.551  15.337   0.324
  197   2HB   LYS  28          1HB       LYS  28  -8.805  14.141   1.593
  198   1HG   LYS  28          2HG       LYS  28  -6.933  15.233   2.850
  199   2HG   LYS  28          1HG       LYS  28  -6.896  16.478   1.604
  200   1HD   LYS  28          2HD       LYS  28  -9.195  17.068   2.121
  201   2HD   LYS  28          1HD       LYS  28  -9.250  15.808   3.360
  202   1HE   LYS  28          2HE       LYS  28  -7.412  16.928   4.552
  203   2HE   LYS  28          1HE       LYS  28  -7.403  18.189   3.327
  204   1HZ   LYS  28          1HZ       LYS  28  -9.665  18.773   3.966
  205   2HZ   LYS  28          2HZ       LYS  28  -8.620  18.845   5.303
  206   3HZ   LYS  28          3HZ       LYS  28  -9.664  17.543   5.124
  207    H    THR  29           H        THR  29  -5.706  12.287  -0.769
  208    HA   THR  29           HA       THR  29  -7.981  10.899  -1.955
  209    HB   THR  29           HB       THR  29  -5.087  10.445  -2.493
  210    HG1  THR  29           1HG      THR  29  -6.901  12.442  -3.413
  211   1HG2  THR  29          1HG2      THR  29  -6.616   8.789  -3.402
  212   2HG2  THR  29          2HG2      THR  29  -5.931   9.740  -4.726
  213   3HG2  THR  29          3HG2      THR  29  -7.570  10.057  -4.170
  214    H    LEU  30           H        LEU  30  -8.156   8.701  -1.669
  215    HA   LEU  30           HA       LEU  30  -7.233   7.836   0.865
  216   1HB   LEU  30          2HB       LEU  30  -9.561   7.415   0.085
  217   2HB   LEU  30          1HB       LEU  30  -8.964   6.365  -1.171
  218    HG   LEU  30           HG       LEU  30  -8.815   5.747   1.806
  219   1HD1  LEU  30          1HD1      LEU  30 -10.665   4.226   1.383
  220   2HD1  LEU  30          2HD1      LEU  30 -10.760   4.807  -0.281
  221   3HD1  LEU  30          3HD1      LEU  30 -11.113   5.900   1.055
  222   1HD2  LEU  30          1HD2      LEU  30  -8.454   3.954  -0.598
  223   2HD2  LEU  30          2HD2      LEU  30  -8.374   3.460   1.095
  224   3HD2  LEU  30          3HD2      LEU  30  -7.148   4.538   0.430
  225    H    VAL  31           H        VAL  31  -5.460   6.378   1.152
  226    HA   VAL  31           HA       VAL  31  -4.253   5.280  -1.261
  227    HB   VAL  31           HB       VAL  31  -3.123   7.360  -0.690
  228   1HG1  VAL  31          1HG1      VAL  31  -2.548   6.124   1.979
  229   2HG1  VAL  31          2HG1      VAL  31  -3.583   7.517   1.655
  230   3HG1  VAL  31          3HG1      VAL  31  -1.844   7.628   1.380
  231   1HG2  VAL  31          1HG2      VAL  31  -1.431   4.950  -0.066
  232   2HG2  VAL  31          2HG2      VAL  31  -0.811   6.538  -0.518
  233   3HG2  VAL  31          3HG2      VAL  31  -1.773   5.604  -1.668
  234    H    VAL  32           H        VAL  32  -3.275   3.301  -1.069
  235    HA   VAL  32           HA       VAL  32  -3.246   2.025   1.581
  236    HB   VAL  32           HB       VAL  32  -3.728   0.727  -1.068
  237   1HG1  VAL  32          1HG1      VAL  32  -4.211  -1.332   0.246
  238   2HG1  VAL  32          2HG1      VAL  32  -3.765  -0.467   1.716
  239   3HG1  VAL  32          3HG1      VAL  32  -2.554  -0.766   0.466
  240   1HG2  VAL  32          1HG2      VAL  32  -5.685   1.983  -0.400
  241   2HG2  VAL  32          2HG2      VAL  32  -5.666   1.214   1.188
  242   3HG2  VAL  32          3HG2      VAL  32  -6.016   0.255  -0.254
  243    H    VAL  33           H        VAL  33  -1.261   1.482   2.200
  244    HA   VAL  33           HA       VAL  33   0.812   1.325   0.106
  245    HB   VAL  33           HB       VAL  33   1.197   2.221   2.965
  246   1HG1  VAL  33          1HG1      VAL  33   3.415   2.923   2.211
  247   2HG1  VAL  33          2HG1      VAL  33   3.071   2.254   0.618
  248   3HG1  VAL  33          3HG1      VAL  33   3.166   1.189   2.020
  249   1HG2  VAL  33          1HG2      VAL  33   1.074   3.892   0.445
  250   2HG2  VAL  33          2HG2      VAL  33   1.519   4.483   2.044
  251   3HG2  VAL  33          3HG2      VAL  33  -0.111   3.880   1.751
  252    H    ASP  34           H        ASP  34   1.959  -0.483  -0.010
  253    HA   ASP  34           HA       ASP  34   1.856  -2.457   2.161
  254   1HB   ASP  34          2HB       ASP  34   1.148  -3.464   0.136
  255   2HB   ASP  34          1HB       ASP  34   2.422  -2.680  -0.791
  256    H    PHE  35           H        PHE  35   3.602  -2.560   3.455
  257    HA   PHE  35           HA       PHE  35   6.177  -1.671   2.387
  258   1HB   PHE  35          2HB       PHE  35   5.237  -2.207   5.196
  259   2HB   PHE  35          1HB       PHE  35   6.829  -1.643   4.719
  260    HD1  PHE  35           1HD      PHE  35   7.126   0.694   4.027
  261    HD2  PHE  35           2HD      PHE  35   3.348  -0.781   5.301
  262    HE1  PHE  35           1HE      PHE  35   6.336   3.002   4.337
  263    HE2  PHE  35           2HE      PHE  35   2.546   1.509   5.607
  264    HZ   PHE  35           HZ       PHE  35   4.042   3.417   5.129
  265    H    THR  36           H        THR  36   7.325  -3.419   1.640
  266    HA   THR  36           HA       THR  36   7.791  -5.550   3.447
  267    HB   THR  36           HB       THR  36   5.670  -6.260   2.350
  268    HG1  THR  36           1HG      THR  36   6.449  -8.184   2.740
  269   1HG2  THR  36          1HG2      THR  36   5.775  -7.144   0.046
  270   2HG2  THR  36          2HG2      THR  36   7.427  -6.544  -0.094
  271   3HG2  THR  36          3HG2      THR  36   6.092  -5.407   0.089
  272    H    ALA  37           H        ALA  37   9.125  -7.325   2.220
  273    HA   ALA  37           HA       ALA  37  11.218  -5.977   0.632
  274   1HB   ALA  37          1HB       ALA  37  11.971  -6.531   2.895
  275   2HB   ALA  37          2HB       ALA  37  12.816  -7.496   1.688
  276   3HB   ALA  37          3HB       ALA  37  11.514  -8.214   2.640
  277    H    SER  38           H        SER  38  12.242  -7.303  -0.972
  278    HA   SER  38           HA       SER  38  10.341  -8.914  -2.366
  279   1HB   SER  38          2HB       SER  38  13.256  -8.474  -3.009
  280   2HB   SER  38          1HB       SER  38  12.014  -9.070  -4.109
  281    HG   SER  38           HG       SER  38  12.593  -6.545  -3.319
  282    H    TRP  39           H        TRP  39  12.884  -9.693  -0.178
  283    HA   TRP  39           HA       TRP  39  13.111 -12.430  -1.070
  284   1HB   TRP  39          2HB       TRP  39  14.661 -12.665   0.942
  285   2HB   TRP  39          1HB       TRP  39  15.140 -11.484  -0.259
  286    HD1  TRP  39           HD       TRP  39  15.347  -9.105   0.445
  287    HE1  TRP  39           1HE      TRP  39  15.217  -7.808   2.644
  288    HE3  TRP  39           3HE      TRP  39  13.306 -12.763   3.329
  289    HZ2  TRP  39           2HZ      TRP  39  14.350  -8.311   5.320
  290    HZ3  TRP  39           3HZ      TRP  39  12.852 -12.287   5.704
  291    HH2  TRP  39           HH       TRP  39  13.364 -10.099   6.675
  292    H    CYS  40           H        CYS  40  10.709 -11.004   0.405
  293    HA   CYS  40           HA       CYS  40  10.345 -12.946   2.498
  294   1HB   CYS  40          2HB       CYS  40   9.774 -10.712   3.085
  295   2HB   CYS  40          1HB       CYS  40   8.738 -10.520   1.686
  296    H    GLY  41           H        GLY  41   9.232 -14.731   2.267
  297   1HA   GLY  41          2HA       GLY  41   8.351 -15.717  -0.204
  298   2HA   GLY  41          1HA       GLY  41   7.991 -16.438   1.353
  299    HA   PRO  42           HA       PRO  42   3.694 -15.441   1.117
  300   1HB   PRO  42          2HB       PRO  42   3.220 -13.759   3.286
  301   2HB   PRO  42          1HB       PRO  42   3.245 -15.523   3.362
  302   1HG   PRO  42          2HG       PRO  42   5.387 -13.562   4.069
  303   2HG   PRO  42          1HG       PRO  42   4.948 -15.082   4.864
  304   1HD   PRO  42          2HD       PRO  42   7.102 -14.905   3.280
  305   2HD   PRO  42          1HD       PRO  42   6.100 -16.372   3.314
  306    H    CYS  43           H        CYS  43   5.806 -12.765   1.649
  307    HA   CYS  43           HA       CYS  43   4.086 -10.664   0.905
  308   1HB   CYS  43          2HB       CYS  43   7.069 -10.846   0.755
  309   2HB   CYS  43          1HB       CYS  43   6.121  -9.361   0.813
  310    H    ARG  44           H        ARG  44   6.528 -12.561  -0.911
  311    HA   ARG  44           HA       ARG  44   6.102 -11.152  -3.333
  312   1HB   ARG  44          2HB       ARG  44   8.200 -12.389  -2.849
  313   2HB   ARG  44          1HB       ARG  44   7.309 -13.901  -2.873
  314   1HG   ARG  44          2HG       ARG  44   6.806 -13.596  -5.234
  315   2HG   ARG  44          1HG       ARG  44   7.617 -12.034  -5.214
  316   1HD   ARG  44          2HD       ARG  44   9.052 -13.769  -6.171
  317   2HD   ARG  44          1HD       ARG  44   9.729 -13.111  -4.690
  318    HE   ARG  44           HE       ARG  44   8.968 -15.132  -3.553
  319   1HH1  ARG  44          1HH1      ARG  44   9.106 -15.314  -7.111
  320   2HH1  ARG  44          2HH1      ARG  44   9.411 -16.991  -7.118
  321   1HH2  ARG  44          1HH2      ARG  44   9.403 -17.408  -3.624
  322   2HH2  ARG  44          2HH2      ARG  44   9.585 -18.194  -5.142
  323    H    PHE  45           H        PHE  45   4.637 -13.843  -1.787
  324    HA   PHE  45           HA       PHE  45   3.135 -14.834  -3.992
  325   1HB   PHE  45          2HB       PHE  45   3.571 -16.229  -2.045
  326   2HB   PHE  45          1HB       PHE  45   2.705 -15.105  -1.008
  327    HD1  PHE  45           1HD      PHE  45   2.373 -17.672  -3.614
  328    HD2  PHE  45           2HD      PHE  45   0.306 -15.135  -0.894
  329    HE1  PHE  45           1HE      PHE  45   0.309 -18.959  -3.975
  330    HE2  PHE  45           2HE      PHE  45  -1.761 -16.421  -1.257
  331    HZ   PHE  45           HZ       PHE  45  -1.757 -18.333  -2.796
  332    H    ILE  46           H        ILE  46   2.537 -12.310  -1.595
  333    HA   ILE  46           HA       ILE  46  -0.258 -12.130  -2.362
  334    HB   ILE  46           HB       ILE  46   0.534 -11.839   0.039
  335   1HG1  ILE  46          2HG1      ILE  46  -0.945  -9.870   0.546
  336   2HG1  ILE  46          1HG1      ILE  46  -1.073  -9.595  -1.189
  337   1HG2  ILE  46          1HG2      ILE  46   1.495  -9.156  -0.922
  338   2HG2  ILE  46          2HG2      ILE  46   2.505 -10.499  -0.416
  339   3HG2  ILE  46          3HG2      ILE  46   1.449  -9.711   0.757
  340   1HD1  ILE  46          1HD1      ILE  46  -3.000 -10.783  -0.323
  341   2HD1  ILE  46          2HD1      ILE  46  -1.943 -12.051   0.293
  342   3HD1  ILE  46          3HD1      ILE  46  -2.096 -11.804  -1.448
  343    H    ALA  47           H        ALA  47   2.663 -10.840  -3.400
  344    HA   ALA  47           HA       ALA  47   2.107  -8.226  -4.063
  345   1HB   ALA  47          1HB       ALA  47   3.911 -10.100  -5.616
  346   2HB   ALA  47          2HB       ALA  47   4.362  -9.189  -4.179
  347   3HB   ALA  47          3HB       ALA  47   3.928  -8.343  -5.663
  348    HA   PRO  48           HA       PRO  48   0.414  -9.546  -8.473
  349   1HB   PRO  48          2HB       PRO  48  -0.654 -12.248  -7.887
  350   2HB   PRO  48          1HB       PRO  48   0.185 -11.670  -9.328
  351   1HG   PRO  48          2HG       PRO  48   1.414 -13.288  -7.616
  352   2HG   PRO  48          1HG       PRO  48   2.286 -11.941  -8.375
  353   1HD   PRO  48          2HD       PRO  48   1.131 -12.143  -5.622
  354   2HD   PRO  48          1HD       PRO  48   2.698 -11.494  -6.138
  355    H    PHE  49           H        PHE  49  -0.953 -10.700  -5.495
  356    HA   PHE  49           HA       PHE  49  -3.707 -10.427  -6.205
  357   1HB   PHE  49          2HB       PHE  49  -2.866 -11.887  -4.354
  358   2HB   PHE  49          1HB       PHE  49  -2.429 -10.444  -3.456
  359    HD1  PHE  49           1HD      PHE  49  -4.171  -9.061  -2.409
  360    HD2  PHE  49           2HD      PHE  49  -5.127 -12.579  -4.591
  361    HE1  PHE  49           1HE      PHE  49  -6.436  -9.056  -1.426
  362    HE2  PHE  49           2HE      PHE  49  -7.381 -12.573  -3.620
  363    HZ   PHE  49           HZ       PHE  49  -8.031 -10.812  -2.043
  364    H    PHE  50           H        PHE  50  -1.362  -8.437  -4.489
  365    HA   PHE  50           HA       PHE  50  -3.045  -6.222  -3.860
  366   1HB   PHE  50          2HB       PHE  50  -0.851  -6.754  -2.778
  367   2HB   PHE  50          1HB       PHE  50  -0.042  -6.361  -4.282
  368    HD1  PHE  50           1HD      PHE  50  -2.112  -4.951  -1.558
  369    HD2  PHE  50           2HD      PHE  50   0.614  -4.147  -4.724
  370    HE1  PHE  50           1HE      PHE  50  -1.865  -2.646  -0.747
  371    HE2  PHE  50           2HE      PHE  50   0.859  -1.832  -3.921
  372    HZ   PHE  50           HZ       PHE  50  -0.377  -1.082  -1.929
  373    H    ALA  51           H        ALA  51  -1.150  -7.059  -6.669
  374    HA   ALA  51           HA       ALA  51  -1.449  -4.592  -8.036
  375   1HB   ALA  51          1HB       ALA  51  -1.056  -7.361  -9.191
  376   2HB   ALA  51          2HB       ALA  51   0.232  -6.270  -8.680
  377   3HB   ALA  51          3HB       ALA  51  -0.797  -5.839 -10.047
  378    H    ASP  52           H        ASP  52  -3.355  -7.533  -7.921
  379    HA   ASP  52           HA       ASP  52  -5.293  -6.919  -9.912
  380   1HB   ASP  52          2HB       ASP  52  -4.844  -9.141  -8.775
  381   2HB   ASP  52          1HB       ASP  52  -5.691  -8.505  -7.407
  382    H    LEU  53           H        LEU  53  -5.071  -6.353  -6.498
  383    HA   LEU  53           HA       LEU  53  -7.540  -5.154  -6.019
  384   1HB   LEU  53          2HB       LEU  53  -4.829  -4.848  -4.821
  385   2HB   LEU  53          1HB       LEU  53  -6.172  -4.058  -4.100
  386    HG   LEU  53           HG       LEU  53  -5.629  -6.986  -4.320
  387   1HD1  LEU  53          1HD1      LEU  53  -5.978  -5.155  -1.953
  388   2HD1  LEU  53          2HD1      LEU  53  -4.449  -5.808  -2.532
  389   3HD1  LEU  53          3HD1      LEU  53  -5.677  -6.887  -1.870
  390   1HD2  LEU  53          1HD2      LEU  53  -7.734  -7.358  -3.098
  391   2HD2  LEU  53          2HD2      LEU  53  -8.002  -6.686  -4.698
  392   3HD2  LEU  53          3HD2      LEU  53  -8.123  -5.646  -3.276
  393    H    ALA  54           H        ALA  54  -4.461  -3.639  -6.875
  394    HA   ALA  54           HA       ALA  54  -5.437  -1.006  -7.060
  395   1HB   ALA  54          1HB       ALA  54  -3.142  -2.281  -8.552
  396   2HB   ALA  54          2HB       ALA  54  -3.048  -1.541  -6.954
  397   3HB   ALA  54          3HB       ALA  54  -3.414  -0.550  -8.369
  398    H    LYS  55           H        LYS  55  -5.434  -3.674  -9.230
  399    HA   LYS  55           HA       LYS  55  -6.081  -2.346 -11.613
  400   1HB   LYS  55          2HB       LYS  55  -5.126  -4.587 -11.528
  401   2HB   LYS  55          1HB       LYS  55  -6.570  -5.182 -10.740
  402   1HG   LYS  55          2HG       LYS  55  -7.859  -4.726 -12.745
  403   2HG   LYS  55          1HG       LYS  55  -6.408  -4.106 -13.542
  404   1HD   LYS  55          2HD       LYS  55  -5.325  -6.277 -13.247
  405   2HD   LYS  55          1HD       LYS  55  -6.769  -6.897 -12.459
  406   1HE   LYS  55          2HE       LYS  55  -8.043  -6.507 -14.517
  407   2HE   LYS  55          1HE       LYS  55  -6.582  -5.911 -15.302
  408   1HZ   LYS  55          1HZ       LYS  55  -5.567  -8.081 -14.924
  409   2HZ   LYS  55          2HZ       LYS  55  -6.959  -8.206 -15.865
  410   3HZ   LYS  55          3HZ       LYS  55  -7.007  -8.647 -14.240
  411    H    LYS  56           H        LYS  56  -8.081  -3.612  -9.010
  412    HA   LYS  56           HA       LYS  56 -10.400  -2.847 -10.598
  413   1HB   LYS  56          2HB       LYS  56 -10.376  -4.274  -7.949
  414   2HB   LYS  56          1HB       LYS  56 -11.824  -3.789  -8.815
  415   1HG   LYS  56          2HG       LYS  56 -11.006  -5.193 -10.745
  416   2HG   LYS  56          1HG       LYS  56  -9.760  -5.799  -9.655
  417   1HD   LYS  56          2HD       LYS  56 -11.620  -7.352  -9.693
  418   2HD   LYS  56          1HD       LYS  56 -11.545  -6.580  -8.109
  419   1HE   LYS  56          2HE       LYS  56 -13.331  -5.013  -8.799
  420   2HE   LYS  56          1HE       LYS  56 -13.384  -5.796 -10.372
  421   1HZ   LYS  56          1HZ       LYS  56 -14.097  -7.823  -9.301
  422   2HZ   LYS  56          2HZ       LYS  56 -15.136  -6.542  -8.902
  423   3HZ   LYS  56          3HZ       LYS  56 -14.001  -7.082  -7.780
  424    H    LEU  57           H        LEU  57  -8.632  -1.633  -7.855
  425    HA   LEU  57           HA       LEU  57 -10.668   0.411  -7.598
  426   1HB   LEU  57          2HB       LEU  57  -8.491  -0.484  -5.720
  427   2HB   LEU  57          1HB       LEU  57  -9.408   0.981  -5.490
  428    HG   LEU  57           HG       LEU  57 -11.475  -0.437  -5.284
  429   1HD1  LEU  57          1HD1      LEU  57  -9.529  -2.736  -5.210
  430   2HD1  LEU  57          2HD1      LEU  57 -10.737  -2.431  -6.455
  431   3HD1  LEU  57          3HD1      LEU  57 -11.245  -2.821  -4.812
  432   1HD2  LEU  57          1HD2      LEU  57 -10.969  -1.243  -3.033
  433   2HD2  LEU  57          2HD2      LEU  57 -10.390   0.401  -3.316
  434   3HD2  LEU  57          3HD2      LEU  57  -9.255  -0.952  -3.321
  435    HA   PRO  58           HA       PRO  58  -7.267   2.567  -9.708
  436   1HB   PRO  58          2HB       PRO  58  -8.705   3.890 -11.503
  437   2HB   PRO  58          1HB       PRO  58  -8.390   2.159 -11.679
  438   1HG   PRO  58          2HG       PRO  58 -10.869   3.550 -10.802
  439   2HG   PRO  58          1HG       PRO  58 -10.683   2.072 -11.763
  440   1HD   PRO  58          2HD       PRO  58 -11.234   2.187  -9.007
  441   2HD   PRO  58          1HD       PRO  58 -10.690   0.766  -9.911
  442    H    ASN  59           H        ASN  59  -9.910   3.653  -7.876
  443    HA   ASN  59           HA       ASN  59  -9.079   6.458  -8.057
  444   1HB   ASN  59          2HB       ASN  59 -11.508   5.926  -8.282
  445   2HB   ASN  59          1HB       ASN  59 -11.463   5.229  -6.675
  446   1HD2  ASN  59          1HD2      ASN  59 -11.626   6.557  -4.922
  447   2HD2  ASN  59          2HD2      ASN  59 -11.880   8.262  -5.026
  448    H    VAL  60           H        VAL  60  -8.208   3.836  -6.507
  449    HA   VAL  60           HA       VAL  60  -7.413   5.238  -4.067
  450    HB   VAL  60           HB       VAL  60  -7.853   2.259  -4.489
  451   1HG1  VAL  60          1HG1      VAL  60  -7.399   2.056  -2.070
  452   2HG1  VAL  60          2HG1      VAL  60  -6.964   3.774  -2.040
  453   3HG1  VAL  60          3HG1      VAL  60  -6.007   2.637  -2.987
  454   1HG2  VAL  60          1HG2      VAL  60  -9.665   2.490  -2.841
  455   2HG2  VAL  60          2HG2      VAL  60  -9.961   3.454  -4.286
  456   3HG2  VAL  60          3HG2      VAL  60  -9.399   4.234  -2.808
  457    H    LEU  61           H        LEU  61  -5.212   5.469  -3.895
  458    HA   LEU  61           HA       LEU  61  -3.672   4.228  -5.961
  459   1HB   LEU  61          2HB       LEU  61  -3.147   6.472  -4.059
  460   2HB   LEU  61          1HB       LEU  61  -1.882   5.741  -5.007
  461    HG   LEU  61           HG       LEU  61  -2.547   7.763  -6.079
  462   1HD1  LEU  61          1HD1      LEU  61  -2.013   5.970  -7.588
  463   2HD1  LEU  61          2HD1      LEU  61  -3.253   7.011  -8.282
  464   3HD1  LEU  61          3HD1      LEU  61  -3.700   5.448  -7.613
  465   1HD2  LEU  61          1HD2      LEU  61  -4.840   8.212  -6.849
  466   2HD2  LEU  61          2HD2      LEU  61  -4.757   8.049  -5.091
  467   3HD2  LEU  61          3HD2      LEU  61  -5.382   6.723  -6.070
  468    H    PHE  62           H        PHE  62  -2.275   2.712  -5.649
  469    HA   PHE  62           HA       PHE  62  -1.822   1.831  -2.903
  470   1HB   PHE  62          2HB       PHE  62  -1.663   0.272  -5.461
  471   2HB   PHE  62          1HB       PHE  62  -1.316  -0.367  -3.881
  472    HD1  PHE  62           1HD      PHE  62  -4.103   1.084  -5.878
  473    HD2  PHE  62           2HD      PHE  62  -2.992  -1.270  -2.522
  474    HE1  PHE  62           1HE      PHE  62  -6.452   0.447  -5.554
  475    HE2  PHE  62           2HE      PHE  62  -5.343  -1.913  -2.186
  476    HZ   PHE  62           HZ       PHE  62  -7.077  -1.054  -3.707
  477    H    LEU  63           H        LEU  63   0.141   1.564  -2.267
  478    HA   LEU  63           HA       LEU  63   2.344   2.213  -4.094
  479   1HB   LEU  63          2HB       LEU  63   1.934   3.197  -1.288
  480   2HB   LEU  63          1HB       LEU  63   3.521   3.139  -2.010
  481    HG   LEU  63           HG       LEU  63   2.733   4.730  -3.762
  482   1HD1  LEU  63          1HD1      LEU  63   0.689   6.003  -3.419
  483   2HD1  LEU  63          2HD1      LEU  63   0.259   4.936  -2.078
  484   3HD1  LEU  63          3HD1      LEU  63   0.359   4.298  -3.721
  485   1HD2  LEU  63          1HD2      LEU  63   3.952   5.529  -1.849
  486   2HD2  LEU  63          2HD2      LEU  63   2.456   5.663  -0.923
  487   3HD2  LEU  63          3HD2      LEU  63   2.722   6.701  -2.323
  488    H    LYS  64           H        LYS  64   4.193   1.138  -3.861
  489    HA   LYS  64           HA       LYS  64   4.134  -1.205  -2.058
  490   1HB   LYS  64          2HB       LYS  64   3.864  -1.349  -4.682
  491   2HB   LYS  64          1HB       LYS  64   5.565  -0.995  -4.712
  492   1HG   LYS  64          2HG       LYS  64   4.309  -3.445  -3.443
  493   2HG   LYS  64          1HG       LYS  64   4.963  -3.379  -5.061
  494   1HD   LYS  64          2HD       LYS  64   6.629  -4.436  -3.796
  495   2HD   LYS  64          1HD       LYS  64   7.183  -2.771  -3.910
  496   1HE   LYS  64          2HE       LYS  64   6.369  -2.328  -1.679
  497   2HE   LYS  64          1HE       LYS  64   5.705  -3.961  -1.575
  498   1HZ   LYS  64          1HZ       LYS  64   8.576  -3.319  -1.935
  499   2HZ   LYS  64          2HZ       LYS  64   7.939  -4.852  -1.719
  500   3HZ   LYS  64          3HZ       LYS  64   7.870  -3.714  -0.468
  501    H    VAL  65           H        VAL  65   5.626  -0.749  -0.506
  502    HA   VAL  65           HA       VAL  65   7.936   0.938  -1.171
  503    HB   VAL  65           HB       VAL  65   6.711   0.275   1.527
  504   1HG1  VAL  65          1HG1      VAL  65   8.280   1.933   2.444
  505   2HG1  VAL  65          2HG1      VAL  65   9.025   2.086   0.853
  506   3HG1  VAL  65          3HG1      VAL  65   9.129   0.561   1.728
  507   1HG2  VAL  65          1HG2      VAL  65   6.106   2.636   1.567
  508   2HG2  VAL  65          2HG2      VAL  65   5.369   1.802   0.196
  509   3HG2  VAL  65          3HG2      VAL  65   6.776   2.837  -0.051
  510    H    ASP  66           H        ASP  66   9.813   0.004  -1.381
  511    HA   ASP  66           HA       ASP  66  10.150  -2.758  -0.538
  512   1HB   ASP  66          2HB       ASP  66  10.873  -2.031  -2.803
  513   2HB   ASP  66          1HB       ASP  66  12.017  -0.955  -1.992
  514    H    THR  67           H        THR  67  10.840  -3.119   1.449
  515    HA   THR  67           HA       THR  67  11.928  -1.031   3.009
  516    HB   THR  67           HB       THR  67  12.022  -2.770   4.797
  517    HG1  THR  67           1HG      THR  67  11.006  -4.815   4.178
  518   1HG2  THR  67          1HG2      THR  67   9.423  -2.640   3.244
  519   2HG2  THR  67          2HG2      THR  67   9.970  -1.440   4.408
  520   3HG2  THR  67          3HG2      THR  67   9.584  -3.077   4.945
  521    H    ASP  68           H        ASP  68  13.521  -3.293   0.889
  522    HA   ASP  68           HA       ASP  68  15.821  -3.530   2.455
  523   1HB   ASP  68          2HB       ASP  68  15.163  -4.033  -0.429
  524   2HB   ASP  68          1HB       ASP  68  16.695  -4.405   0.333
  525    H    GLU  69           H        GLU  69  14.557  -1.497  -0.059
  526    HA   GLU  69           HA       GLU  69  16.968  -0.014  -0.292
  527   1HB   GLU  69          2HB       GLU  69  14.277   0.050  -1.531
  528   2HB   GLU  69          1HB       GLU  69  15.424   1.344  -1.804
  529   1HG   GLU  69          2HG       GLU  69  17.037  -0.314  -2.678
  530   2HG   GLU  69          1HG       GLU  69  15.876  -1.589  -2.356
  531    H    LEU  70           H        LEU  70  13.567   0.746   0.694
  532    HA   LEU  70           HA       LEU  70  14.482   3.141   1.950
  533   1HB   LEU  70          2HB       LEU  70  11.804   1.884   1.443
  534   2HB   LEU  70          1HB       LEU  70  12.002   3.300   2.431
  535    HG   LEU  70           HG       LEU  70  12.985   4.458   0.406
  536   1HD1  LEU  70          1HD1      LEU  70  12.524   3.528  -1.785
  537   2HD1  LEU  70          2HD1      LEU  70  11.957   2.035  -1.028
  538   3HD1  LEU  70          3HD1      LEU  70  13.641   2.528  -0.856
  539   1HD2  LEU  70          1HD2      LEU  70  10.155   3.467   0.119
  540   2HD2  LEU  70          2HD2      LEU  70  10.843   4.890  -0.660
  541   3HD2  LEU  70          3HD2      LEU  70  10.674   4.841   1.093
  542    H    LYS  71           H        LYS  71  15.717   1.430   3.164
  543    HA   LYS  71           HA       LYS  71  14.461  -0.248   5.067
  544   1HB   LYS  71          2HB       LYS  71  16.713  -0.537   3.989
  545   2HB   LYS  71          1HB       LYS  71  17.303   0.731   5.044
  546   1HG   LYS  71          2HG       LYS  71  16.745  -0.652   6.990
  547   2HG   LYS  71          1HG       LYS  71  16.149  -1.887   5.863
  548   1HD   LYS  71          2HD       LYS  71  18.353  -2.052   4.841
  549   2HD   LYS  71          1HD       LYS  71  18.962  -0.832   5.954
  550   1HE   LYS  71          2HE       LYS  71  18.540  -2.282   7.834
  551   2HE   LYS  71          1HE       LYS  71  17.821  -3.487   6.777
  552   1HZ   LYS  71          1HZ       LYS  71  20.646  -2.583   6.709
  553   2HZ   LYS  71          2HZ       LYS  71  19.956  -3.690   5.650
  554   3HZ   LYS  71          3HZ       LYS  71  20.085  -4.071   7.288
  555    H    SER  72           H        SER  72  15.864   2.974   5.192
  556    HA   SER  72           HA       SER  72  15.703   3.292   8.001
  557   1HB   SER  72          2HB       SER  72  15.707   5.365   5.833
  558   2HB   SER  72          1HB       SER  72  16.139   5.641   7.520
  559    HG   SER  72           HG       SER  72  17.985   4.584   7.266
  560    H    VAL  73           H        VAL  73  13.542   3.847   5.310
  561    HA   VAL  73           HA       VAL  73  11.541   5.303   6.693
  562    HB   VAL  73           HB       VAL  73  11.263   3.549   4.230
  563   1HG1  VAL  73          1HG1      VAL  73   9.458   5.743   5.235
  564   2HG1  VAL  73          2HG1      VAL  73   9.097   4.013   5.219
  565   3HG1  VAL  73          3HG1      VAL  73   9.282   4.892   3.699
  566   1HG2  VAL  73          1HG2      VAL  73  11.801   6.507   4.455
  567   2HG2  VAL  73          2HG2      VAL  73  11.467   5.643   2.954
  568   3HG2  VAL  73          3HG2      VAL  73  12.917   5.265   3.884
  569    H    ALA  74           H        ALA  74  12.092   1.890   6.052
  570    HA   ALA  74           HA       ALA  74   9.752   0.820   7.124
  571   1HB   ALA  74          1HB       ALA  74  11.013  -1.258   7.394
  572   2HB   ALA  74          2HB       ALA  74  12.527  -0.378   7.183
  573   3HB   ALA  74          3HB       ALA  74  11.385  -0.497   5.847
  574    H    SER  75           H        SER  75  12.797   1.700   8.694
  575    HA   SER  75           HA       SER  75  12.137   0.787  11.270
  576   1HB   SER  75          2HB       SER  75  13.984   3.029  10.460
  577   2HB   SER  75          1HB       SER  75  13.999   2.177  12.006
  578    HG   SER  75           HG       SER  75  14.252   0.242  10.493
  579    H    ASP  76           H        ASP  76  11.702   3.914   9.642
  580    HA   ASP  76           HA       ASP  76  10.868   5.355  11.944
  581   1HB   ASP  76          2HB       ASP  76  11.770   6.425   9.892
  582   2HB   ASP  76          1HB       ASP  76  10.298   5.975   9.043
  583    H    TRP  77           H        TRP  77   9.102   3.556   9.475
  584    HA   TRP  77           HA       TRP  77   6.645   4.399  10.651
  585   1HB   TRP  77          2HB       TRP  77   7.239   2.817   8.202
  586   2HB   TRP  77          1HB       TRP  77   5.583   3.060   8.770
  587    HD1  TRP  77           HD       TRP  77   8.574   5.023   7.345
  588    HE1  TRP  77           1HE      TRP  77   7.733   7.256   6.407
  589    HE3  TRP  77           3HE      TRP  77   3.708   4.761   8.887
  590    HZ2  TRP  77           2HZ      TRP  77   5.323   8.719   6.313
  591    HZ3  TRP  77           3HZ      TRP  77   2.200   6.619   8.330
  592    HH2  TRP  77           HH       TRP  77   2.986   8.556   7.072
  593    H    ALA  78           H        ALA  78   8.752   2.264  11.563
  594    HA   ALA  78           HA       ALA  78   8.787   0.509  12.980
  595   1HB   ALA  78          1HB       ALA  78   6.840   0.121  14.418
  596   2HB   ALA  78          2HB       ALA  78   5.840   1.096  13.344
  597   3HB   ALA  78          3HB       ALA  78   7.157   1.847  14.246
  598    H    ILE  79           H        ILE  79   8.699  -0.188  10.358
  599    HA   ILE  79           HA       ILE  79   6.861  -2.472  10.315
  600    HB   ILE  79           HB       ILE  79   8.251  -1.207   7.942
  601   1HG1  ILE  79          2HG1      ILE  79   6.583   0.357   8.826
  602   2HG1  ILE  79          1HG1      ILE  79   6.028  -0.322   7.303
  603   1HG2  ILE  79          1HG2      ILE  79   7.768  -3.569   7.637
  604   2HG2  ILE  79          2HG2      ILE  79   6.734  -2.592   6.599
  605   3HG2  ILE  79          3HG2      ILE  79   6.079  -3.304   8.076
  606   1HD1  ILE  79          1HD1      ILE  79   5.122  -1.132  10.056
  607   2HD1  ILE  79          2HD1      ILE  79   4.554  -1.839   8.540
  608   3HD1  ILE  79          3HD1      ILE  79   4.226  -0.141   8.905
  609    H    GLN  80           H        GLN  80   8.204  -3.847  11.502
  610    HA   GLN  80           HA       GLN  80  10.625  -4.676  10.134
  611   1HB   GLN  80          2HB       GLN  80   9.654  -5.204  12.950
  612   2HB   GLN  80          1HB       GLN  80  11.046  -5.998  12.241
  613   1HG   GLN  80          2HG       GLN  80  11.829  -4.236  13.644
  614   2HG   GLN  80          1HG       GLN  80  12.102  -3.751  11.979
  615   1HE2  GLN  80          1HE2      GLN  80  12.187  -1.596  12.470
  616   2HE2  GLN  80          2HE2      GLN  80  10.804  -0.689  12.990
  617    H    ALA  81           H        ALA  81   7.560  -5.768  11.443
  618    HA   ALA  81           HA       ALA  81   7.888  -8.408  10.302
  619   1HB   ALA  81          1HB       ALA  81   6.682  -8.145  12.410
  620   2HB   ALA  81          2HB       ALA  81   5.619  -8.808  11.167
  621   3HB   ALA  81          3HB       ALA  81   5.498  -7.107  11.617
  622    H    MET  82           H        MET  82   7.448  -8.828   8.243
  623    HA   MET  82           HA       MET  82   5.793  -6.920   6.771
  624   1HB   MET  82          2HB       MET  82   8.167  -8.548   5.878
  625   2HB   MET  82          1HB       MET  82   7.196  -7.539   4.821
  626   1HG   MET  82          2HG       MET  82   7.858  -5.547   6.061
  627   2HG   MET  82          1HG       MET  82   8.747  -6.554   7.203
  628   1HE   MET  82          1HE       MET  82  10.965  -7.798   6.686
  629   2HE   MET  82          2HE       MET  82  11.710  -7.878   5.092
  630   3HE   MET  82          3HE       MET  82  10.172  -8.687   5.384
  631    HA   PRO  83           HA       PRO  83   5.133  -6.824   4.761
  632   1HB   PRO  83          2HB       PRO  83   2.983  -6.975   3.196
  633   2HB   PRO  83          1HB       PRO  83   4.453  -7.863   2.786
  634   1HG   PRO  83          2HG       PRO  83   1.901  -8.865   3.916
  635   2HG   PRO  83          1HG       PRO  83   3.040  -9.659   2.816
  636   1HD   PRO  83          2HD       PRO  83   2.849 -10.023   5.622
  637   2HD   PRO  83          1HD       PRO  83   4.130 -10.628   4.560
  638    H    THR  84           H        THR  84   3.932  -4.923   5.105
  639    HA   THR  84           HA       THR  84   1.568  -5.254   6.799
  640    HB   THR  84           HB       THR  84   3.493  -3.027   6.810
  641    HG1  THR  84           1HG      THR  84   3.821  -5.355   7.830
  642   1HG2  THR  84          1HG2      THR  84   1.255  -2.326   7.479
  643   2HG2  THR  84          2HG2      THR  84   2.313  -2.312   8.891
  644   3HG2  THR  84          3HG2      THR  84   1.176  -3.639   8.655
  645    H    PHE  85           H        PHE  85  -0.224  -4.491   5.910
  646    HA   PHE  85           HA       PHE  85   0.012  -2.669   3.669
  647   1HB   PHE  85          2HB       PHE  85  -2.234  -4.409   4.685
  648   2HB   PHE  85          1HB       PHE  85  -2.294  -3.380   3.268
  649    HD1  PHE  85           1HD      PHE  85  -1.082  -4.007   1.241
  650    HD2  PHE  85           2HD      PHE  85  -1.093  -6.522   4.672
  651    HE1  PHE  85           1HE      PHE  85  -0.260  -5.874  -0.128
  652    HE2  PHE  85           2HE      PHE  85  -0.264  -8.392   3.308
  653    HZ   PHE  85           HZ       PHE  85   0.152  -8.062   0.902
  654    H    MET  86           H        MET  86  -0.422  -0.639   4.188
  655    HA   MET  86           HA       MET  86  -2.106  -0.186   6.539
  656   1HB   MET  86          2HB       MET  86   0.206   0.580   6.849
  657   2HB   MET  86          1HB       MET  86   0.052   1.621   5.436
  658   1HG   MET  86          2HG       MET  86  -1.585   2.983   6.571
  659   2HG   MET  86          1HG       MET  86  -1.613   1.894   7.947
  660   1HE   MET  86          1HE       MET  86   2.054   4.502   6.842
  661   2HE   MET  86          2HE       MET  86   0.514   4.674   6.037
  662   3HE   MET  86          3HE       MET  86   1.457   3.197   5.817
  663    H    PHE  87           H        PHE  87  -3.976   0.653   6.203
  664    HA   PHE  87           HA       PHE  87  -4.641   1.682   3.604
  665   1HB   PHE  87          2HB       PHE  87  -6.127   0.532   5.920
  666   2HB   PHE  87          1HB       PHE  87  -6.929   1.228   4.536
  667    HD1  PHE  87           1HD      PHE  87  -4.761  -1.520   5.716
  668    HD2  PHE  87           2HD      PHE  87  -7.129  -0.035   2.512
  669    HE1  PHE  87           1HE      PHE  87  -4.630  -3.714   4.607
  670    HE2  PHE  87           2HE      PHE  87  -7.003  -2.222   1.399
  671    HZ   PHE  87           HZ       PHE  87  -5.754  -4.062   2.442
  672    H    LEU  88           H        LEU  88  -4.757   3.840   3.515
  673    HA   LEU  88           HA       LEU  88  -5.514   5.166   5.974
  674   1HB   LEU  88          2HB       LEU  88  -3.866   6.381   3.726
  675   2HB   LEU  88          1HB       LEU  88  -4.290   7.167   5.217
  676    HG   LEU  88           HG       LEU  88  -2.813   5.412   6.379
  677   1HD1  LEU  88          1HD1      LEU  88  -1.091   4.372   5.021
  678   2HD1  LEU  88          2HD1      LEU  88  -1.835   5.003   3.564
  679   3HD1  LEU  88          3HD1      LEU  88  -2.694   3.817   4.547
  680   1HD2  LEU  88          1HD2      LEU  88  -2.159   7.739   6.092
  681   2HD2  LEU  88          2HD2      LEU  88  -1.566   7.386   4.470
  682   3HD2  LEU  88          3HD2      LEU  88  -0.775   6.668   5.874
  683    H    LYS  89           H        LYS  89  -6.788   7.174   5.481
  684    HA   LYS  89           HA       LYS  89  -7.900   7.232   2.796
  685   1HB   LYS  89          2HB       LYS  89  -9.552   6.086   4.176
  686   2HB   LYS  89          1HB       LYS  89  -9.504   7.416   5.327
  687   1HG   LYS  89          2HG       LYS  89 -10.426   8.922   3.688
  688   2HG   LYS  89          1HG       LYS  89 -10.425   7.648   2.465
  689   1HD   LYS  89          2HD       LYS  89 -12.027   6.384   3.818
  690   2HD   LYS  89          1HD       LYS  89 -11.993   7.653   5.042
  691   1HE   LYS  89          2HE       LYS  89 -12.854   9.252   3.407
  692   2HE   LYS  89          1HE       LYS  89 -12.878   7.990   2.182
  693   1HZ   LYS  89          1HZ       LYS  89 -14.472   6.779   3.542
  694   2HZ   LYS  89          2HZ       LYS  89 -15.066   8.302   3.144
  695   3HZ   LYS  89          3HZ       LYS  89 -14.472   8.004   4.688
  696    H    GLU  90           H        GLU  90  -7.515   9.053   1.963
  697    HA   GLU  90           HA       GLU  90  -7.335  11.112   1.558
  698   1HB   GLU  90          2HB       GLU  90  -8.629  11.516   4.217
  699   2HB   GLU  90          1HB       GLU  90  -8.344  12.855   3.117
  700   1HG   GLU  90          2HG       GLU  90  -9.795  11.829   1.470
  701   2HG   GLU  90          1HG       GLU  90 -10.029  10.422   2.499
  702    H    GLY  91           H        GLY  91  -5.334   9.628   3.090
  703   1HA   GLY  91          2HA       GLY  91  -3.105  10.183   3.616
  704   2HA   GLY  91          1HA       GLY  91  -3.619  11.840   3.913
  705    H    LYS  92           H        LYS  92  -5.854  10.115   5.473
  706    HA   LYS  92           HA       LYS  92  -4.393  10.263   8.001
  707   1HB   LYS  92          2HB       LYS  92  -7.362  10.037   7.438
  708   2HB   LYS  92          1HB       LYS  92  -6.639  10.222   9.033
  709   1HG   LYS  92          2HG       LYS  92  -5.794  12.417   8.418
  710   2HG   LYS  92          1HG       LYS  92  -6.441  12.228   6.792
  711   1HD   LYS  92          2HD       LYS  92  -7.891  13.642   8.125
  712   2HD   LYS  92          1HD       LYS  92  -8.714  12.135   7.727
  713   1HE   LYS  92          2HE       LYS  92  -8.286  11.277   9.956
  714   2HE   LYS  92          1HE       LYS  92  -7.326  12.705  10.347
  715   1HZ   LYS  92          1HZ       LYS  92  -9.282  14.055  10.108
  716   2HZ   LYS  92          2HZ       LYS  92  -9.584  12.874  11.260
  717   3HZ   LYS  92          3HZ       LYS  92 -10.238  12.739   9.705
  718    H    ILE  93           H        ILE  93  -3.967   8.447   9.125
  719    HA   ILE  93           HA       ILE  93  -4.158   5.932   7.797
  720    HB   ILE  93           HB       ILE  93  -3.355   6.513  10.665
  721   1HG1  ILE  93          2HG1      ILE  93  -1.630   6.161   8.196
  722   2HG1  ILE  93          1HG1      ILE  93  -1.949   7.692   8.999
  723   1HG2  ILE  93          1HG2      ILE  93  -2.867   4.067   8.954
  724   2HG2  ILE  93          2HG2      ILE  93  -3.951   4.168  10.342
  725   3HG2  ILE  93          3HG2      ILE  93  -2.207   4.331  10.569
  726   1HD1  ILE  93          1HD1      ILE  93  -0.483   5.339  10.176
  727   2HD1  ILE  93          2HD1      ILE  93  -0.802   6.866  11.002
  728   3HD1  ILE  93          3HD1      ILE  93   0.244   6.835   9.583
  729    H    LEU  94           H        LEU  94  -5.825   4.510   7.830
  730    HA   LEU  94           HA       LEU  94  -7.813   4.846   9.914
  731   1HB   LEU  94          2HB       LEU  94  -7.843   3.376   7.314
  732   2HB   LEU  94          1HB       LEU  94  -9.147   3.268   8.457
  733    HG   LEU  94           HG       LEU  94  -8.265   5.657   6.851
  734   1HD1  LEU  94          1HD1      LEU  94  -9.673   4.106   5.668
  735   2HD1  LEU  94          2HD1      LEU  94 -10.587   5.568   6.039
  736   3HD1  LEU  94          3HD1      LEU  94 -10.841   4.106   6.985
  737   1HD2  LEU  94          1HD2      LEU  94 -10.047   6.917   7.962
  738   2HD2  LEU  94          2HD2      LEU  94  -8.774   6.462   9.082
  739   3HD2  LEU  94          3HD2      LEU  94 -10.303   5.577   9.077
  740    H    ASP  95           H        ASP  95  -6.129   2.239   8.196
  741    HA   ASP  95           HA       ASP  95  -5.773   0.833  10.648
  742   1HB   ASP  95          2HB       ASP  95  -6.811  -1.231   9.649
  743   2HB   ASP  95          1HB       ASP  95  -7.921  -0.097  10.414
  744    H    LYS  96           H        LYS  96  -4.548  -1.091  10.474
  745    HA   LYS  96           HA       LYS  96  -3.130  -1.405   7.956
  746   1HB   LYS  96          2HB       LYS  96  -0.941  -1.384   9.094
  747   2HB   LYS  96          1HB       LYS  96  -1.760   0.166   9.252
  748   1HG   LYS  96          2HG       LYS  96  -2.454  -0.443  11.513
  749   2HG   LYS  96          1HG       LYS  96  -1.604  -1.980  11.346
  750   1HD   LYS  96          2HD       LYS  96   0.501  -0.734  11.035
  751   2HD   LYS  96          1HD       LYS  96  -0.385   0.776  11.277
  752   1HE   LYS  96          2HE       LYS  96  -0.098  -1.471  13.270
  753   2HE   LYS  96          1HE       LYS  96   0.717   0.084  13.339
  754   1HZ   LYS  96          1HZ       LYS  96  -2.222  -0.347  13.540
  755   2HZ   LYS  96          2HZ       LYS  96  -1.482   1.153  13.579
  756   3HZ   LYS  96          3HZ       LYS  96  -1.201   0.049  14.804
  757    H    VAL  97           H        VAL  97  -2.589  -3.440   7.538
  758    HA   VAL  97           HA       VAL  97  -3.214  -5.477   9.575
  759    HB   VAL  97           HB       VAL  97  -3.429  -5.731   6.552
  760   1HG1  VAL  97          1HG1      VAL  97  -4.196  -7.684   8.723
  761   2HG1  VAL  97          2HG1      VAL  97  -2.848  -7.853   7.602
  762   3HG1  VAL  97          3HG1      VAL  97  -4.505  -7.895   7.000
  763   1HG2  VAL  97          1HG2      VAL  97  -5.859  -5.844   6.912
  764   2HG2  VAL  97          2HG2      VAL  97  -5.191  -4.301   7.447
  765   3HG2  VAL  97          3HG2      VAL  97  -5.608  -5.541   8.631
  766    H    VAL  98           H        VAL  98  -1.529  -6.692  10.168
  767    HA   VAL  98           HA       VAL  98   0.858  -6.619   8.495
  768    HB   VAL  98           HB       VAL  98   1.168  -5.788  10.801
  769   1HG1  VAL  98          1HG1      VAL  98   0.366  -8.544  11.700
  770   2HG1  VAL  98          2HG1      VAL  98  -0.528  -7.049  11.970
  771   3HG1  VAL  98          3HG1      VAL  98   1.044  -7.288  12.734
  772   1HG2  VAL  98          1HG2      VAL  98   3.072  -6.822   9.708
  773   2HG2  VAL  98          2HG2      VAL  98   2.572  -8.408  10.296
  774   3HG2  VAL  98          3HG2      VAL  98   3.104  -7.173  11.436
  775    H    GLY  99           H        GLY  99   1.686  -8.439   7.653
  776   1HA   GLY  99          2HA       GLY  99   2.016 -10.765   7.422
  777   2HA   GLY  99          1HA       GLY  99   0.687 -11.036   8.547
  778    H    ALA 100           H        ALA 100   1.400 -11.730   5.548
  779    HA   ALA 100           HA       ALA 100  -0.925 -10.570   4.260
  780   1HB   ALA 100          1HB       ALA 100  -0.150 -11.696   2.253
  781   2HB   ALA 100          2HB       ALA 100   1.085 -12.541   3.186
  782   3HB   ALA 100          3HB       ALA 100   1.164 -10.790   3.002
  783    H    LYS 101           H        LYS 101  -2.778 -11.407   4.901
  784    HA   LYS 101           HA       LYS 101  -3.151 -14.224   4.395
  785   1HB   LYS 101          2HB       LYS 101  -3.250 -13.657   6.790
  786   2HB   LYS 101          1HB       LYS 101  -4.565 -12.527   6.458
  787   1HG   LYS 101          2HG       LYS 101  -5.876 -14.370   5.536
  788   2HG   LYS 101          1HG       LYS 101  -4.495 -15.403   5.876
  789   1HD   LYS 101          2HD       LYS 101  -5.999 -13.913   7.925
  790   2HD   LYS 101          1HD       LYS 101  -6.370 -15.580   7.456
  791   1HE   LYS 101          2HE       LYS 101  -5.072 -15.772   9.456
  792   2HE   LYS 101          1HE       LYS 101  -3.967 -16.119   8.140
  793   1HZ   LYS 101          1HZ       LYS 101  -3.042 -13.825   8.403
  794   2HZ   LYS 101          2HZ       LYS 101  -2.977 -14.701   9.819
  795   3HZ   LYS 101          3HZ       LYS 101  -4.160 -13.554   9.634
  796    H    LYS 102           H        LYS 102  -4.257 -14.342   2.549
  797    HA   LYS 102           HA       LYS 102  -5.294 -12.271   1.134
  798   1HB   LYS 102          2HB       LYS 102  -4.765 -14.419   0.170
  799   2HB   LYS 102          1HB       LYS 102  -6.078 -15.164   1.073
  800   1HG   LYS 102          2HG       LYS 102  -7.679 -13.827  -0.122
  801   2HG   LYS 102          1HG       LYS 102  -6.372 -13.071  -1.042
  802   1HD   LYS 102          2HD       LYS 102  -7.054 -16.021  -1.060
  803   2HD   LYS 102          1HD       LYS 102  -7.513 -14.874  -2.317
  804   1HE   LYS 102          2HE       LYS 102  -5.126 -14.436  -2.754
  805   2HE   LYS 102          1HE       LYS 102  -4.694 -15.620  -1.520
  806   1HZ   LYS 102          1HZ       LYS 102  -4.587 -16.564  -3.721
  807   2HZ   LYS 102          2HZ       LYS 102  -6.187 -16.168  -4.023
  808   3HZ   LYS 102          3HZ       LYS 102  -5.815 -17.326  -2.842
  809    H    ASP 103           H        ASP 103  -7.121 -14.516   3.183
  810    HA   ASP 103           HA       ASP 103  -9.662 -13.424   2.665
  811   1HB   ASP 103          2HB       ASP 103  -9.496 -15.606   3.660
  812   2HB   ASP 103          1HB       ASP 103  -8.677 -14.950   5.075
  813    H    GLU 104           H        GLU 104  -7.346 -12.709   5.214
  814    HA   GLU 104           HA       GLU 104  -8.986 -10.878   6.641
  815   1HB   GLU 104          2HB       GLU 104  -6.942 -11.982   7.564
  816   2HB   GLU 104          1HB       GLU 104  -5.973 -11.006   6.472
  817   1HG   GLU 104          2HG       GLU 104  -5.903 -10.061   8.676
  818   2HG   GLU 104          1HG       GLU 104  -6.791  -8.983   7.600
  819    H    LEU 105           H        LEU 105  -6.630 -10.525   4.084
  820    HA   LEU 105           HA       LEU 105  -6.585  -7.734   3.987
  821   1HB   LEU 105          2HB       LEU 105  -5.049  -9.370   2.844
  822   2HB   LEU 105          1HB       LEU 105  -6.318  -9.648   1.708
  823    HG   LEU 105           HG       LEU 105  -6.294  -7.391   0.923
  824   1HD1  LEU 105          1HD1      LEU 105  -5.626  -6.231   2.979
  825   2HD1  LEU 105          2HD1      LEU 105  -4.530  -5.804   1.665
  826   3HD1  LEU 105          3HD1      LEU 105  -4.024  -6.964   2.887
  827   1HD2  LEU 105          1HD2      LEU 105  -4.091  -7.376  -0.159
  828   2HD2  LEU 105          2HD2      LEU 105  -4.791  -9.001  -0.134
  829   3HD2  LEU 105          3HD2      LEU 105  -3.522  -8.570   1.005
  830    H    GLN 106           H        GLN 106  -8.400 -10.092   2.190
  831    HA   GLN 106           HA       GLN 106 -10.098  -8.342   0.776
  832   1HB   GLN 106          2HB       GLN 106 -10.540 -11.184   1.649
  833   2HB   GLN 106          1HB       GLN 106 -11.739 -10.297   0.716
  834   1HG   GLN 106          2HG       GLN 106  -8.901 -10.779  -0.130
  835   2HG   GLN 106          1HG       GLN 106 -10.291 -11.729  -0.663
  836   1HE2  GLN 106          1HE2      GLN 106  -8.667  -8.645  -0.906
  837   2HE2  GLN 106          2HE2      GLN 106  -9.585  -8.079  -2.260
  838    H    SER 107           H        SER 107 -10.376  -9.555   4.040
  839    HA   SER 107           HA       SER 107 -13.047  -8.618   4.432
  840   1HB   SER 107          2HB       SER 107 -10.894  -9.170   6.493
  841   2HB   SER 107          1HB       SER 107 -12.627  -9.049   6.810
  842    HG   SER 107           HG       SER 107 -11.331 -10.960   5.165
  843    H    THR 108           H        THR 108  -9.866  -7.284   4.820
  844    HA   THR 108           HA       THR 108 -10.662  -4.888   6.102
  845    HB   THR 108           HB       THR 108  -8.164  -5.428   4.456
  846    HG1  THR 108           1HG      THR 108  -8.277  -6.970   6.109
  847   1HG2  THR 108          1HG2      THR 108  -7.175  -3.687   5.902
  848   2HG2  THR 108          2HG2      THR 108  -8.722  -3.467   6.713
  849   3HG2  THR 108          3HG2      THR 108  -8.551  -3.047   5.009
  850    H    ILE 109           H        ILE 109 -10.125  -5.890   2.753
  851    HA   ILE 109           HA       ILE 109 -10.551  -3.416   1.499
  852    HB   ILE 109           HB       ILE 109 -11.234  -6.198   0.482
  853   1HG1  ILE 109          2HG1      ILE 109  -8.839  -5.948   0.940
  854   2HG1  ILE 109          1HG1      ILE 109  -9.126  -6.049  -0.788
  855   1HG2  ILE 109          1HG2      ILE 109 -11.227  -5.243  -1.781
  856   2HG2  ILE 109          2HG2      ILE 109 -11.026  -3.634  -1.089
  857   3HG2  ILE 109          3HG2      ILE 109 -12.497  -4.550  -0.770
  858   1HD1  ILE 109          1HD1      ILE 109  -8.874  -3.622  -0.969
  859   2HD1  ILE 109          2HD1      ILE 109  -7.440  -4.384  -0.275
  860   3HD1  ILE 109          3HD1      ILE 109  -8.576  -3.528   0.768
  861    H    ALA 110           H        ALA 110 -12.859  -6.013   2.276
  862    HA   ALA 110           HA       ALA 110 -15.123  -4.606   1.374
  863   1HB   ALA 110          1HB       ALA 110 -16.435  -6.305   2.554
  864   2HB   ALA 110          2HB       ALA 110 -14.988  -6.827   3.421
  865   3HB   ALA 110          3HB       ALA 110 -15.097  -7.050   1.680
  866    H    LYS 111           H        LYS 111 -13.454  -4.603   4.423
  867    HA   LYS 111           HA       LYS 111 -15.242  -3.297   6.123
  868   1HB   LYS 111          2HB       LYS 111 -12.950  -4.180   6.636
  869   2HB   LYS 111          1HB       LYS 111 -12.381  -2.784   5.764
  870   1HG   LYS 111          2HG       LYS 111 -13.458  -1.282   7.387
  871   2HG   LYS 111          1HG       LYS 111 -13.915  -2.696   8.343
  872   1HD   LYS 111          2HD       LYS 111 -11.552  -3.290   8.587
  873   2HD   LYS 111          1HD       LYS 111 -11.102  -1.871   7.645
  874   1HE   LYS 111          2HE       LYS 111 -12.210  -0.445   9.342
  875   2HE   LYS 111          1HE       LYS 111 -12.514  -1.892  10.303
  876   1HZ   LYS 111          1HZ       LYS 111 -10.542  -0.771  11.086
  877   2HZ   LYS 111          2HZ       LYS 111  -9.898  -0.771   9.535
  878   3HZ   LYS 111          3HZ       LYS 111 -10.069  -2.238  10.360
  879    H    HIS 112           H        HIS 112 -12.910  -2.041   3.817
  880    HA   HIS 112           HA       HIS 112 -13.597   0.692   4.253
  881   1HB   HIS 112          2HB       HIS 112 -11.786  -0.689   2.299
  882   2HB   HIS 112          1HB       HIS 112 -12.088   1.032   2.242
  883    HD1  HIS 112           1HD      HIS 112 -10.773   2.473   3.866
  884    HD2  HIS 112           2HD      HIS 112 -10.305  -1.579   4.612
  885    HE1  HIS 112           1HE      HIS 112  -8.841   2.280   5.485
  886    HE2  HIS 112           2HE      HIS 112  -8.724  -0.152   6.066
  887    H    LEU 113           H        LEU 113 -14.366  -1.759   1.678
  888    HA   LEU 113           HA       LEU 113 -15.640   0.216   0.177
  889   1HB   LEU 113          2HB       LEU 113 -14.929  -2.605  -0.042
  890   2HB   LEU 113          1HB       LEU 113 -16.177  -1.997  -1.087
  891    HG   LEU 113           HG       LEU 113 -14.062  -2.039  -2.268
  892   1HD1  LEU 113          1HD1      LEU 113 -14.758   0.798  -1.572
  893   2HD1  LEU 113          2HD1      LEU 113 -15.489  -0.197  -2.834
  894   3HD1  LEU 113          3HD1      LEU 113 -13.796   0.279  -2.955
  895   1HD2  LEU 113          1HD2      LEU 113 -12.965  -0.330  -0.041
  896   2HD2  LEU 113          2HD2      LEU 113 -12.124  -0.675  -1.542
  897   3HD2  LEU 113          3HD2      LEU 113 -12.498  -1.989  -0.416
  898    H    ALA 114           H        ALA 114 -17.410   0.898   1.162
  899    HA   ALA 114           HA       ALA 114 -19.379  -1.024   2.089
  900   1HB   ALA 114          1HB       ALA 114 -18.831   0.824   3.616
  901   2HB   ALA 114          2HB       ALA 114 -20.503   0.931   3.072
  902   3HB   ALA 114          3HB       ALA 114 -19.280   1.991   2.372
  Start of MODEL   10
    1    H    MET   1           H        MET   1  -7.724  -0.288 -21.336
    2    HA   MET   1           HA       MET   1  -7.079  -0.682 -24.153
    3   1HB   MET   1          2HB       MET   1  -8.869   0.950 -24.618
    4   2HB   MET   1          1HB       MET   1  -9.446  -0.407 -23.672
    5   1HG   MET   1          2HG       MET   1  -9.384   0.975 -21.654
    6   2HG   MET   1          1HG       MET   1  -8.788   2.336 -22.604
    7   1HE   MET   1          1HE       MET   1 -10.212   3.555 -24.498
    8   2HE   MET   1          2HE       MET   1 -11.857   3.095 -24.936
    9   3HE   MET   1          3HE       MET   1 -10.515   2.022 -25.319
   10    H    ALA   2           H        ALA   2  -5.230   0.246 -22.237
   11    HA   ALA   2           HA       ALA   2  -3.425   1.544 -22.141
   12   1HB   ALA   2          1HB       ALA   2  -2.803   3.120 -23.881
   13   2HB   ALA   2          2HB       ALA   2  -4.445   3.096 -24.527
   14   3HB   ALA   2          3HB       ALA   2  -3.444   1.649 -24.617
   15    H    SER   3           H        SER   3  -3.814   2.247 -20.207
   16    HA   SER   3           HA       SER   3  -4.190   5.045 -19.874
   17   1HB   SER   3          2HB       SER   3  -6.053   3.079 -18.480
   18   2HB   SER   3          1HB       SER   3  -5.984   4.816 -18.209
   19    HG   SER   3           HG       SER   3  -6.325   4.415 -20.789
   20    H    GLU   4           H        GLU   4  -3.396   5.532 -17.613
   21    HA   GLU   4           HA       GLU   4  -1.721   3.462 -16.695
   22   1HB   GLU   4          2HB       GLU   4  -1.160   5.167 -14.958
   23   2HB   GLU   4          1HB       GLU   4  -0.764   5.618 -16.613
   24   1HG   GLU   4          2HG       GLU   4  -2.802   7.009 -16.655
   25   2HG   GLU   4          1HG       GLU   4  -3.126   6.561 -14.983
   26    H    GLU   5           H        GLU   5  -3.106   1.892 -16.130
   27    HA   GLU   5           HA       GLU   5  -4.755   2.366 -13.739
   28   1HB   GLU   5          2HB       GLU   5  -6.272   0.607 -14.570
   29   2HB   GLU   5          1HB       GLU   5  -6.219   2.005 -15.633
   30   1HG   GLU   5          2HG       GLU   5  -4.854   0.847 -17.213
   31   2HG   GLU   5          1HG       GLU   5  -4.607  -0.490 -16.097
   32    H    GLY   6           H        GLY   6  -4.645   0.820 -12.176
   33   1HA   GLY   6          2HA       GLY   6  -4.017  -1.130 -11.111
   34   2HA   GLY   6          1HA       GLY   6  -3.517  -1.759 -12.674
   35    H    GLN   7           H        GLN   7  -2.201   1.257 -11.826
   36    HA   GLN   7           HA       GLN   7   0.294  -0.133 -11.505
   37   1HB   GLN   7          2HB       GLN   7   1.373   2.090 -11.736
   38   2HB   GLN   7          1HB       GLN   7   0.570   1.442 -13.148
   39   1HG   GLN   7          2HG       GLN   7  -1.310   2.972 -12.766
   40   2HG   GLN   7          1HG       GLN   7  -0.545   3.550 -11.286
   41   1HE2  GLN   7          1HE2      GLN   7  -0.477   5.637 -12.030
   42   2HE2  GLN   7          2HE2      GLN   7   0.617   6.168 -13.252
   43    H    VAL   8           H        VAL   8   1.533  -0.014 -10.014
   44    HA   VAL   8           HA       VAL   8   0.628   1.149  -7.467
   45    HB   VAL   8           HB       VAL   8   2.324  -1.335  -7.925
   46   1HG1  VAL   8          1HG1      VAL   8   2.072  -1.708  -5.509
   47   2HG1  VAL   8          2HG1      VAL   8   1.248  -0.149  -5.380
   48   3HG1  VAL   8          3HG1      VAL   8   2.934  -0.214  -5.875
   49   1HG2  VAL   8          1HG2      VAL   8   0.412  -2.602  -7.053
   50   2HG2  VAL   8          2HG2      VAL   8   0.005  -1.743  -8.536
   51   3HG2  VAL   8          3HG2      VAL   8  -0.532  -1.114  -6.979
   52    H    ILE   9           H        ILE   9   2.061   2.569  -6.598
   53    HA   ILE   9           HA       ILE   9   4.436   3.048  -8.156
   54    HB   ILE   9           HB       ILE   9   3.324   4.516  -5.768
   55   1HG1  ILE   9          2HG1      ILE   9   1.851   4.701  -7.693
   56   2HG1  ILE   9          1HG1      ILE   9   2.701   6.217  -7.416
   57   1HG2  ILE   9          1HG2      ILE   9   5.734   4.839  -5.919
   58   2HG2  ILE   9          2HG2      ILE   9   4.895   6.318  -6.392
   59   3HG2  ILE   9          3HG2      ILE   9   5.581   5.262  -7.624
   60   1HD1  ILE   9          1HD1      ILE   9   4.222   5.711  -9.250
   61   2HD1  ILE   9          2HD1      ILE   9   2.542   5.712  -9.779
   62   3HD1  ILE   9          3HD1      ILE   9   3.381   4.185  -9.536
   63    H    ALA  10           H        ALA  10   6.162   1.896  -7.713
   64    HA   ALA  10           HA       ALA  10   6.596   0.951  -4.989
   65   1HB   ALA  10          1HB       ALA  10   7.902   0.096  -7.575
   66   2HB   ALA  10          2HB       ALA  10   6.602  -0.760  -6.740
   67   3HB   ALA  10          3HB       ALA  10   8.188  -0.613  -5.985
   68    H    CYS  11           H        CYS  11   7.754   2.334  -3.821
   69    HA   CYS  11           HA       CYS  11   9.658   3.989  -5.153
   70   1HB   CYS  11          2HB       CYS  11   9.915   4.887  -2.822
   71   2HB   CYS  11          1HB       CYS  11   8.430   5.273  -3.666
   72    HG   CYS  11           HG       CYS  11   8.527   4.408  -0.705
   73    H    HIS  12           H        HIS  12  11.678   3.767  -5.120
   74    HA   HIS  12           HA       HIS  12  12.907   2.009  -3.147
   75   1HB   HIS  12          2HB       HIS  12  13.720   2.421  -6.049
   76   2HB   HIS  12          1HB       HIS  12  14.694   1.573  -4.854
   77    HD1  HIS  12           1HD      HIS  12  14.176  -0.904  -4.488
   78    HD2  HIS  12           2HD      HIS  12  11.251   1.032  -6.731
   79    HE1  HIS  12           1HE      HIS  12  12.652  -2.700  -5.296
   80    HE2  HIS  12           2HE      HIS  12  11.075  -1.551  -6.859
   81    H    THR  13           H        THR  13  12.284   5.071  -3.779
   82    HA   THR  13           HA       THR  13  14.809   5.992  -2.663
   83    HB   THR  13           HB       THR  13  14.604   8.077  -3.996
   84    HG1  THR  13           1HG      THR  13  13.110   7.818  -5.923
   85   1HG2  THR  13          1HG2      THR  13  14.673   5.615  -5.758
   86   2HG2  THR  13          2HG2      THR  13  16.052   6.314  -4.912
   87   3HG2  THR  13          3HG2      THR  13  15.263   7.213  -6.210
   88    H    VAL  14           H        VAL  14  14.430   7.969  -1.405
   89    HA   VAL  14           HA       VAL  14  11.896   7.902  -0.079
   90    HB   VAL  14           HB       VAL  14  14.114   9.923   0.190
   91   1HG1  VAL  14          1HG1      VAL  14  12.028  10.682   1.177
   92   2HG1  VAL  14          2HG1      VAL  14  13.191  10.312   2.455
   93   3HG1  VAL  14          3HG1      VAL  14  11.892   9.178   2.093
   94   1HG2  VAL  14          1HG2      VAL  14  14.919   8.608   2.120
   95   2HG2  VAL  14          2HG2      VAL  14  15.018   7.704   0.609
   96   3HG2  VAL  14          3HG2      VAL  14  13.717   7.372   1.752
   97    H    GLU  15           H        GLU  15  13.420   9.726  -2.582
   98    HA   GLU  15           HA       GLU  15  11.866  12.044  -2.682
   99   1HB   GLU  15          2HB       GLU  15  13.883  11.668  -4.038
  100   2HB   GLU  15          1HB       GLU  15  13.050  10.431  -4.945
  101   1HG   GLU  15          2HG       GLU  15  11.479  12.110  -5.807
  102   2HG   GLU  15          1HG       GLU  15  12.349  13.357  -4.919
  103    H    THR  16           H        THR  16  11.395   8.968  -4.428
  104    HA   THR  16           HA       THR  16   8.945   9.594  -5.624
  105    HB   THR  16           HB       THR  16  10.032   6.882  -4.799
  106    HG1  THR  16           1HG      THR  16  10.304   8.476  -7.126
  107   1HG2  THR  16          1HG2      THR  16   8.604   5.964  -6.555
  108   2HG2  THR  16          2HG2      THR  16   8.011   7.572  -6.931
  109   3HG2  THR  16          3HG2      THR  16   7.615   6.832  -5.374
  110    H    TRP  17           H        TRP  17   9.693   8.061  -2.547
  111    HA   TRP  17           HA       TRP  17   7.090   7.427  -1.728
  112   1HB   TRP  17          2HB       TRP  17   9.096   6.464  -0.681
  113   2HB   TRP  17          1HB       TRP  17   9.587   8.054  -0.163
  114    HD1  TRP  17           HD       TRP  17   9.290   8.337   2.314
  115    HE1  TRP  17           1HE      TRP  17   7.608   7.587   4.089
  116    HE3  TRP  17           3HE      TRP  17   6.111   5.656  -0.653
  117    HZ2  TRP  17           2HZ      TRP  17   5.248   6.067   4.235
  118    HZ3  TRP  17           3HZ      TRP  17   4.152   4.593   0.400
  119    HH2  TRP  17           HH       TRP  17   3.738   4.797   2.791
  120    H    ASN  18           H        ASN  18   9.089  10.266  -1.044
  121    HA   ASN  18           HA       ASN  18   7.335  11.638   0.662
  122   1HB   ASN  18          2HB       ASN  18   9.786  12.110   0.270
  123   2HB   ASN  18          1HB       ASN  18   9.322  12.883  -1.240
  124   1HD2  ASN  18          1HD2      ASN  18   9.366  13.079   2.141
  125   2HD2  ASN  18          2HD2      ASN  18   8.875  14.720   2.325
  126    H    GLU  19           H        GLU  19   7.828  11.812  -2.813
  127    HA   GLU  19           HA       GLU  19   6.143  13.925  -3.464
  128   1HB   GLU  19          2HB       GLU  19   7.769  12.956  -5.003
  129   2HB   GLU  19          1HB       GLU  19   6.846  11.468  -5.059
  130   1HG   GLU  19          2HG       GLU  19   4.996  12.654  -6.103
  131   2HG   GLU  19          1HG       GLU  19   5.933  14.148  -6.055
  132    H    GLN  20           H        GLN  20   5.422  10.410  -3.246
  133    HA   GLN  20           HA       GLN  20   2.833  10.580  -4.130
  134   1HB   GLN  20          2HB       GLN  20   4.417   8.690  -2.575
  135   2HB   GLN  20          1HB       GLN  20   2.702   8.408  -2.870
  136   1HG   GLN  20          2HG       GLN  20   4.816   8.807  -4.975
  137   2HG   GLN  20          1HG       GLN  20   4.171   7.237  -4.489
  138   1HE2  GLN  20          1HE2      GLN  20   4.079   8.564  -7.104
  139   2HE2  GLN  20          2HE2      GLN  20   2.397   8.649  -7.514
  140    H    LEU  21           H        LEU  21   4.185  10.650  -0.754
  141    HA   LEU  21           HA       LEU  21   1.729  10.521   0.456
  142   1HB   LEU  21          2HB       LEU  21   4.359  11.586   1.188
  143   2HB   LEU  21          1HB       LEU  21   3.038  11.481   2.313
  144    HG   LEU  21           HG       LEU  21   4.515   9.194   0.991
  145   1HD1  LEU  21          1HD1      LEU  21   4.347  10.080   3.864
  146   2HD1  LEU  21          2HD1      LEU  21   5.735  10.268   2.791
  147   3HD1  LEU  21          3HD1      LEU  21   5.204   8.657   3.270
  148   1HD2  LEU  21          1HD2      LEU  21   2.144   8.622   1.221
  149   2HD2  LEU  21          2HD2      LEU  21   2.185   9.104   2.917
  150   3HD2  LEU  21          3HD2      LEU  21   3.122   7.709   2.373
  151    H    GLN  22           H        GLN  22   3.756  13.267  -0.412
  152    HA   GLN  22           HA       GLN  22   2.028  15.137   0.710
  153   1HB   GLN  22          2HB       GLN  22   4.337  15.700   0.037
  154   2HB   GLN  22          1HB       GLN  22   3.880  15.536  -1.652
  155   1HG   GLN  22          2HG       GLN  22   3.962  17.877  -1.020
  156   2HG   GLN  22          1HG       GLN  22   2.313  17.403  -1.417
  157   1HE2  GLN  22          1HE2      GLN  22   4.477  18.344   1.098
  158   2HE2  GLN  22          2HE2      GLN  22   3.287  18.662   2.307
  159    H    LYS  23           H        LYS  23   2.120  13.625  -2.469
  160    HA   LYS  23           HA       LYS  23   0.113  15.220  -3.644
  161   1HB   LYS  23          2HB       LYS  23   1.717  13.758  -4.921
  162   2HB   LYS  23          1HB       LYS  23   0.825  12.367  -4.342
  163   1HG   LYS  23          2HG       LYS  23   0.176  12.906  -6.612
  164   2HG   LYS  23          1HG       LYS  23  -1.179  13.169  -5.513
  165   1HD   LYS  23          2HD       LYS  23  -0.739  15.566  -5.501
  166   2HD   LYS  23          1HD       LYS  23   0.673  15.334  -6.533
  167   1HE   LYS  23          2HE       LYS  23  -1.207  16.126  -7.824
  168   2HE   LYS  23          1HE       LYS  23  -0.796  14.486  -8.308
  169   1HZ   LYS  23          1HZ       LYS  23  -2.648  13.672  -6.972
  170   2HZ   LYS  23          2HZ       LYS  23  -3.181  14.797  -8.098
  171   3HZ   LYS  23          3HZ       LYS  23  -3.034  15.245  -6.490
  172    H    ALA  24           H        ALA  24  -0.003  12.137  -1.797
  173    HA   ALA  24           HA       ALA  24  -2.764  11.723  -2.244
  174   1HB   ALA  24          1HB       ALA  24  -2.575  10.052  -0.462
  175   2HB   ALA  24          2HB       ALA  24  -0.983  10.681  -0.036
  176   3HB   ALA  24          3HB       ALA  24  -1.237   9.914  -1.601
  177    H    ASN  25           H        ASN  25  -0.922  13.542   0.008
  178    HA   ASN  25           HA       ASN  25  -2.945  13.998   1.999
  179   1HB   ASN  25          2HB       ASN  25  -0.448  14.216   2.285
  180   2HB   ASN  25          1HB       ASN  25  -0.538  15.629   1.301
  181   1HD2  ASN  25          1HD2      ASN  25   0.213  16.979   2.891
  182   2HD2  ASN  25          2HD2      ASN  25  -0.757  17.474   4.226
  183    H    GLU  26           H        GLU  26  -1.432  15.912  -0.440
  184    HA   GLU  26           HA       GLU  26  -2.916  18.287  -0.148
  185   1HB   GLU  26          2HB       GLU  26  -0.716  18.077  -1.263
  186   2HB   GLU  26          1HB       GLU  26  -1.503  17.279  -2.610
  187   1HG   GLU  26          2HG       GLU  26  -1.053  19.567  -3.144
  188   2HG   GLU  26          1HG       GLU  26  -2.793  19.301  -3.035
  189    H    SER  27           H        SER  27  -3.369  15.585  -2.467
  190    HA   SER  27           HA       SER  27  -5.720  16.891  -3.504
  191   1HB   SER  27          2HB       SER  27  -4.400  14.290  -4.211
  192   2HB   SER  27          1HB       SER  27  -5.696  15.071  -5.123
  193    HG   SER  27           HG       SER  27  -4.062  16.940  -5.019
  194    H    LYS  28           H        LYS  28  -5.039  15.030  -0.883
  195    HA   LYS  28           HA       LYS  28  -6.070  13.604   0.440
  196   1HB   LYS  28          2HB       LYS  28  -8.378  15.162  -0.522
  197   2HB   LYS  28          1HB       LYS  28  -8.529  14.031   0.824
  198   1HG   LYS  28          2HG       LYS  28  -6.724  15.349   1.975
  199   2HG   LYS  28          1HG       LYS  28  -6.842  16.529   0.671
  200   1HD   LYS  28          2HD       LYS  28  -9.199  16.895   1.224
  201   2HD   LYS  28          1HD       LYS  28  -9.060  15.679   2.497
  202   1HE   LYS  28          2HE       LYS  28  -7.408  17.037   3.649
  203   2HE   LYS  28          1HE       LYS  28  -7.509  18.257   2.384
  204   1HZ   LYS  28          1HZ       LYS  28  -8.841  18.833   4.331
  205   2HZ   LYS  28          2HZ       LYS  28  -9.751  17.438   4.157
  206   3HZ   LYS  28          3HZ       LYS  28  -9.812  18.641   2.975
  207    H    THR  29           H        THR  29  -5.375  12.249  -1.500
  208    HA   THR  29           HA       THR  29  -7.605  10.729  -2.576
  209    HB   THR  29           HB       THR  29  -4.694  10.284  -3.007
  210    HG1  THR  29           1HG      THR  29  -6.563  11.979  -4.394
  211   1HG2  THR  29          1HG2      THR  29  -6.116   8.483  -3.775
  212   2HG2  THR  29          2HG2      THR  29  -5.466   9.335  -5.183
  213   3HG2  THR  29          3HG2      THR  29  -7.122   9.617  -4.671
  214    H    LEU  30           H        LEU  30  -7.800   8.610  -2.115
  215    HA   LEU  30           HA       LEU  30  -6.884   7.829   0.476
  216   1HB   LEU  30          2HB       LEU  30  -9.216   7.382  -0.371
  217   2HB   LEU  30          1HB       LEU  30  -8.564   6.270  -1.538
  218    HG   LEU  30           HG       LEU  30  -8.563   5.845   1.478
  219   1HD1  LEU  30          1HD1      LEU  30 -10.277   4.625  -0.665
  220   2HD1  LEU  30          2HD1      LEU  30 -10.784   5.833   0.507
  221   3HD1  LEU  30          3HD1      LEU  30 -10.308   4.220   1.054
  222   1HD2  LEU  30          1HD2      LEU  30  -6.727   4.627   0.313
  223   2HD2  LEU  30          2HD2      LEU  30  -7.943   3.879  -0.734
  224   3HD2  LEU  30          3HD2      LEU  30  -7.945   3.551   0.995
  225    H    VAL  31           H        VAL  31  -5.051   6.378   0.763
  226    HA   VAL  31           HA       VAL  31  -4.071   5.076  -1.621
  227    HB   VAL  31           HB       VAL  31  -2.742   7.080  -1.289
  228   1HG1  VAL  31          1HG1      VAL  31  -2.136   6.057   1.448
  229   2HG1  VAL  31          2HG1      VAL  31  -3.082   7.485   1.030
  230   3HG1  VAL  31          3HG1      VAL  31  -1.351   7.437   0.680
  231   1HG2  VAL  31          1HG2      VAL  31  -0.494   6.117  -1.120
  232   2HG2  VAL  31          2HG2      VAL  31  -1.559   5.137  -2.137
  233   3HG2  VAL  31          3HG2      VAL  31  -1.192   4.625  -0.492
  234    H    VAL  32           H        VAL  32  -3.232   3.086  -1.354
  235    HA   VAL  32           HA       VAL  32  -3.219   1.951   1.358
  236    HB   VAL  32           HB       VAL  32  -3.658   0.531  -1.241
  237   1HG1  VAL  32          1HG1      VAL  32  -3.843  -0.491   1.601
  238   2HG1  VAL  32          2HG1      VAL  32  -2.569  -0.869   0.446
  239   3HG1  VAL  32          3HG1      VAL  32  -4.219  -1.442   0.159
  240   1HG2  VAL  32          1HG2      VAL  32  -5.610   1.866  -0.717
  241   2HG2  VAL  32          2HG2      VAL  32  -5.666   1.196   0.912
  242   3HG2  VAL  32          3HG2      VAL  32  -5.989   0.161  -0.480
  243    H    VAL  33           H        VAL  33  -1.253   1.323   2.024
  244    HA   VAL  33           HA       VAL  33   0.822   1.173  -0.058
  245    HB   VAL  33           HB       VAL  33   1.238   2.037   2.808
  246   1HG1  VAL  33          1HG1      VAL  33   3.435   2.775   2.020
  247   2HG1  VAL  33          2HG1      VAL  33   3.071   2.125   0.424
  248   3HG1  VAL  33          3HG1      VAL  33   3.207   1.040   1.805
  249   1HG2  VAL  33          1HG2      VAL  33  -0.103   3.702   1.640
  250   2HG2  VAL  33          2HG2      VAL  33   1.063   3.748   0.319
  251   3HG2  VAL  33          3HG2      VAL  33   1.525   4.317   1.921
  252    H    ASP  34           H        ASP  34   1.951  -0.600  -0.226
  253    HA   ASP  34           HA       ASP  34   1.816  -2.723   1.792
  254   1HB   ASP  34          2HB       ASP  34   1.155  -3.514  -0.351
  255   2HB   ASP  34          1HB       ASP  34   2.448  -2.643  -1.158
  256    H    PHE  35           H        PHE  35   3.520  -2.671   3.218
  257    HA   PHE  35           HA       PHE  35   6.101  -1.716   2.232
  258   1HB   PHE  35          2HB       PHE  35   5.096  -2.325   5.013
  259   2HB   PHE  35          1HB       PHE  35   6.671  -1.702   4.596
  260    HD1  PHE  35           1HD      PHE  35   6.963   0.646   4.071
  261    HD2  PHE  35           2HD      PHE  35   3.104  -0.924   4.938
  262    HE1  PHE  35           1HE      PHE  35   6.109   2.933   4.392
  263    HE2  PHE  35           2HE      PHE  35   2.240   1.356   5.254
  264    HZ   PHE  35           HZ       PHE  35   3.746   3.288   4.982
  265    H    THR  36           H        THR  36   7.303  -3.424   1.451
  266    HA   THR  36           HA       THR  36   7.966  -5.503   3.262
  267    HB   THR  36           HB       THR  36   5.928  -6.404   2.243
  268    HG1  THR  36           1HG      THR  36   6.866  -8.331   2.285
  269   1HG2  THR  36          1HG2      THR  36   7.506  -6.267  -0.319
  270   2HG2  THR  36          2HG2      THR  36   6.020  -5.383   0.064
  271   3HG2  THR  36          3HG2      THR  36   5.986  -7.136  -0.128
  272    H    ALA  37           H        ALA  37   9.605  -7.017   2.152
  273    HA   ALA  37           HA       ALA  37  11.331  -5.397   0.427
  274   1HB   ALA  37          1HB       ALA  37  11.953  -7.871   2.046
  275   2HB   ALA  37          2HB       ALA  37  12.381  -6.213   2.478
  276   3HB   ALA  37          3HB       ALA  37  13.110  -6.976   1.063
  277    H    SER  38           H        SER  38  12.003  -6.182  -1.528
  278    HA   SER  38           HA       SER  38  10.219  -7.734  -2.997
  279   1HB   SER  38          2HB       SER  38  11.739  -6.026  -3.949
  280   2HB   SER  38          1HB       SER  38  13.105  -7.093  -3.664
  281    HG   SER  38           HG       SER  38  11.457  -6.984  -5.718
  282    H    TRP  39           H        TRP  39  12.791  -8.842  -0.987
  283    HA   TRP  39           HA       TRP  39  12.965 -11.394  -2.335
  284   1HB   TRP  39          2HB       TRP  39  14.704 -11.946  -0.587
  285   2HB   TRP  39          1HB       TRP  39  15.078 -10.569  -1.596
  286    HD1  TRP  39           HD       TRP  39  15.533  -8.382  -0.437
  287    HE1  TRP  39           1HE      TRP  39  15.693  -7.596   2.029
  288    HE3  TRP  39           3HE      TRP  39  13.514 -12.476   1.819
  289    HZ2  TRP  39           2HZ      TRP  39  15.027  -8.612   4.574
  290    HZ3  TRP  39           3HZ      TRP  39  13.309 -12.501   4.265
  291    HH2  TRP  39           HH       TRP  39  14.048 -10.605   5.611
  292    H    CYS  40           H        CYS  40  10.626 -10.311  -0.520
  293    HA   CYS  40           HA       CYS  40  10.456 -12.526   1.352
  294   1HB   CYS  40          2HB       CYS  40   9.774 -10.374   2.188
  295   2HB   CYS  40          1HB       CYS  40   8.637 -10.155   0.866
  296    H    GLY  41           H        GLY  41   9.429 -14.349   0.971
  297   1HA   GLY  41          2HA       GLY  41   8.393 -15.019  -1.566
  298   2HA   GLY  41          1HA       GLY  41   8.332 -16.016  -0.127
  299    HA   PRO  42           HA       PRO  42   3.945 -15.467   0.432
  300   1HB   PRO  42          2HB       PRO  42   4.339 -13.835   2.901
  301   2HB   PRO  42          1HB       PRO  42   3.372 -15.297   2.670
  302   1HG   PRO  42          2HG       PRO  42   5.676 -15.445   3.957
  303   2HG   PRO  42          1HG       PRO  42   5.229 -16.702   2.787
  304   1HD   PRO  42          2HD       PRO  42   7.136 -14.414   2.469
  305   2HD   PRO  42          1HD       PRO  42   7.301 -16.096   1.923
  306    H    CYS  43           H        CYS  43   5.837 -12.610   1.006
  307    HA   CYS  43           HA       CYS  43   3.841 -10.659   0.591
  308   1HB   CYS  43          2HB       CYS  43   6.799 -10.481   0.084
  309   2HB   CYS  43          1HB       CYS  43   5.707  -9.138   0.408
  310    H    ARG  44           H        ARG  44   6.153 -12.291  -1.537
  311    HA   ARG  44           HA       ARG  44   5.472 -10.855  -3.883
  312   1HB   ARG  44          2HB       ARG  44   7.618 -11.954  -3.659
  313   2HB   ARG  44          1HB       ARG  44   6.842 -13.506  -3.428
  314   1HG   ARG  44          2HG       ARG  44   6.101 -13.528  -5.718
  315   2HG   ARG  44          1HG       ARG  44   6.715 -11.891  -5.960
  316   1HD   ARG  44          2HD       ARG  44   8.244 -13.608  -6.847
  317   2HD   ARG  44          1HD       ARG  44   8.971 -12.625  -5.581
  318    HE   ARG  44           HE       ARG  44   7.799 -15.119  -4.719
  319   1HH1  ARG  44          1HH1      ARG  44  10.733 -13.422  -5.761
  320   2HH1  ARG  44          2HH1      ARG  44  11.804 -14.572  -5.109
  321   1HH2  ARG  44          1HH2      ARG  44   9.302 -16.692  -3.782
  322   2HH2  ARG  44          2HH2      ARG  44  10.975 -16.438  -3.934
  323    H    PHE  45           H        PHE  45   4.268 -13.670  -2.284
  324    HA   PHE  45           HA       PHE  45   2.653 -14.683  -4.387
  325   1HB   PHE  45          2HB       PHE  45   3.352 -16.092  -2.515
  326   2HB   PHE  45          1HB       PHE  45   2.474 -15.072  -1.391
  327    HD1  PHE  45           1HD      PHE  45   2.083 -17.442  -4.194
  328    HD2  PHE  45           2HD      PHE  45   0.164 -15.443  -0.955
  329    HE1  PHE  45           1HE      PHE  45   0.114 -18.894  -4.462
  330    HE2  PHE  45           2HE      PHE  45  -1.803 -16.884  -1.224
  331    HZ   PHE  45           HZ       PHE  45  -1.832 -18.614  -2.978
  332    H    ILE  46           H        ILE  46   2.101 -12.330  -1.830
  333    HA   ILE  46           HA       ILE  46  -0.749 -12.215  -2.389
  334    HB   ILE  46           HB       ILE  46   0.208 -12.027  -0.054
  335   1HG1  ILE  46          2HG1      ILE  46  -1.219 -10.074   0.664
  336   2HG1  ILE  46          1HG1      ILE  46  -1.532  -9.783  -1.048
  337   1HG2  ILE  46          1HG2      ILE  46   1.124  -9.921   0.720
  338   2HG2  ILE  46          2HG2      ILE  46   1.079  -9.305  -0.935
  339   3HG2  ILE  46          3HG2      ILE  46   2.127 -10.664  -0.531
  340   1HD1  ILE  46          1HD1      ILE  46  -3.327 -11.047  -0.050
  341   2HD1  ILE  46          2HD1      ILE  46  -2.166 -12.239   0.516
  342   3HD1  ILE  46          3HD1      ILE  46  -2.464 -12.061  -1.222
  343    H    ALA  47           H        ALA  47   2.089 -10.711  -3.444
  344    HA   ALA  47           HA       ALA  47   1.362  -8.101  -3.971
  345   1HB   ALA  47          1HB       ALA  47   3.315  -9.712  -5.605
  346   2HB   ALA  47          2HB       ALA  47   3.663  -8.967  -4.049
  347   3HB   ALA  47          3HB       ALA  47   3.248  -7.958  -5.435
  348    HA   PRO  48           HA       PRO  48  -0.002  -9.330  -8.539
  349   1HB   PRO  48          2HB       PRO  48  -1.200 -11.997  -7.973
  350   2HB   PRO  48          1HB       PRO  48  -0.303 -11.447  -9.396
  351   1HG   PRO  48          2HG       PRO  48   0.848 -13.076  -7.671
  352   2HG   PRO  48          1HG       PRO  48   1.757 -11.720  -8.363
  353   1HD   PRO  48          2HD       PRO  48   0.467 -11.946  -5.668
  354   2HD   PRO  48          1HD       PRO  48   2.071 -11.320  -6.090
  355    H    PHE  49           H        PHE  49  -1.668 -10.391  -5.662
  356    HA   PHE  49           HA       PHE  49  -4.293  -9.793  -6.637
  357   1HB   PHE  49          2HB       PHE  49  -3.983 -11.453  -4.844
  358   2HB   PHE  49          1HB       PHE  49  -3.315 -10.208  -3.798
  359    HD1  PHE  49           1HD      PHE  49  -6.376 -11.108  -5.694
  360    HD2  PHE  49           2HD      PHE  49  -4.709  -9.054  -2.365
  361    HE1  PHE  49           1HE      PHE  49  -8.636 -10.631  -4.863
  362    HE2  PHE  49           2HE      PHE  49  -6.964  -8.573  -1.530
  363    HZ   PHE  49           HZ       PHE  49  -8.934  -9.358  -2.780
  364    H    PHE  50           H        PHE  50  -1.848  -8.109  -4.814
  365    HA   PHE  50           HA       PHE  50  -3.410  -5.796  -4.158
  366   1HB   PHE  50          2HB       PHE  50  -1.258  -6.511  -3.028
  367   2HB   PHE  50          1HB       PHE  50  -0.403  -6.049  -4.487
  368    HD1  PHE  50           1HD      PHE  50  -2.308  -4.835  -1.601
  369    HD2  PHE  50           2HD      PHE  50   0.085  -3.741  -4.941
  370    HE1  PHE  50           1HE      PHE  50  -2.068  -2.577  -0.678
  371    HE2  PHE  50           2HE      PHE  50   0.328  -1.474  -4.023
  372    HZ   PHE  50           HZ       PHE  50  -0.746  -0.888  -1.888
  373    H    ALA  51           H        ALA  51  -1.462  -6.787  -6.862
  374    HA   ALA  51           HA       ALA  51  -1.546  -4.333  -8.298
  375   1HB   ALA  51          1HB       ALA  51  -0.842  -5.669 -10.226
  376   2HB   ALA  51          2HB       ALA  51  -1.190  -7.151  -9.332
  377   3HB   ALA  51          3HB       ALA  51   0.102  -6.075  -8.795
  378    H    ASP  52           H        ASP  52  -3.714  -6.988  -7.922
  379    HA   ASP  52           HA       ASP  52  -5.500  -6.382 -10.107
  380   1HB   ASP  52          2HB       ASP  52  -5.303  -8.625  -8.922
  381   2HB   ASP  52          1HB       ASP  52  -6.037  -7.869  -7.550
  382    H    LEU  53           H        LEU  53  -5.481  -5.885  -6.639
  383    HA   LEU  53           HA       LEU  53  -7.743  -4.380  -6.271
  384   1HB   LEU  53          2HB       LEU  53  -5.050  -4.420  -5.004
  385   2HB   LEU  53          1HB       LEU  53  -6.236  -3.321  -4.413
  386    HG   LEU  53           HG       LEU  53  -6.473  -6.315  -4.443
  387   1HD1  LEU  53          1HD1      LEU  53  -6.010  -4.366  -2.172
  388   2HD1  LEU  53          2HD1      LEU  53  -4.808  -5.484  -2.814
  389   3HD1  LEU  53          3HD1      LEU  53  -6.237  -6.100  -1.995
  390   1HD2  LEU  53          1HD2      LEU  53  -8.452  -5.970  -3.047
  391   2HD2  LEU  53          2HD2      LEU  53  -8.666  -5.202  -4.621
  392   3HD2  LEU  53          3HD2      LEU  53  -8.268  -4.229  -3.207
  393    H    ALA  54           H        ALA  54  -4.544  -3.369  -7.303
  394    HA   ALA  54           HA       ALA  54  -4.969  -0.617  -7.320
  395   1HB   ALA  54          1HB       ALA  54  -2.759  -1.654  -7.462
  396   2HB   ALA  54          2HB       ALA  54  -3.018  -0.474  -8.747
  397   3HB   ALA  54          3HB       ALA  54  -3.127  -2.199  -9.096
  398    H    LYS  55           H        LYS  55  -5.699  -3.033  -9.807
  399    HA   LYS  55           HA       LYS  55  -6.476  -0.972 -11.676
  400   1HB   LYS  55          2HB       LYS  55  -5.535  -3.159 -12.438
  401   2HB   LYS  55          1HB       LYS  55  -6.951  -3.961 -11.799
  402   1HG   LYS  55          2HG       LYS  55  -7.070  -1.898 -14.007
  403   2HG   LYS  55          1HG       LYS  55  -6.872  -3.613 -14.311
  404   1HD   LYS  55          2HD       LYS  55  -9.052  -4.031 -13.211
  405   2HD   LYS  55          1HD       LYS  55  -9.214  -2.307 -12.902
  406   1HE   LYS  55          2HE       LYS  55  -9.076  -3.615 -15.621
  407   2HE   LYS  55          1HE       LYS  55 -10.535  -3.008 -14.850
  408   1HZ   LYS  55          1HZ       LYS  55  -9.778  -1.403 -16.402
  409   2HZ   LYS  55          2HZ       LYS  55  -8.216  -1.462 -15.861
  410   3HZ   LYS  55          3HZ       LYS  55  -9.412  -0.744 -14.888
  411    H    LYS  56           H        LYS  56  -7.957  -3.002  -9.301
  412    HA   LYS  56           HA       LYS  56 -10.616  -2.693 -10.139
  413   1HB   LYS  56          2HB       LYS  56  -9.851  -4.486  -8.679
  414   2HB   LYS  56          1HB       LYS  56  -9.498  -3.322  -7.412
  415   1HG   LYS  56          2HG       LYS  56 -11.881  -2.770  -7.262
  416   2HG   LYS  56          1HG       LYS  56 -12.223  -3.955  -8.525
  417   1HD   LYS  56          2HD       LYS  56 -10.952  -4.575  -5.860
  418   2HD   LYS  56          1HD       LYS  56 -12.652  -4.821  -6.260
  419   1HE   LYS  56          2HE       LYS  56 -12.034  -6.427  -7.987
  420   2HE   LYS  56          1HE       LYS  56 -10.326  -6.155  -7.667
  421   1HZ   LYS  56          1HZ       LYS  56 -10.590  -7.030  -5.477
  422   2HZ   LYS  56          2HZ       LYS  56 -11.177  -8.175  -6.557
  423   3HZ   LYS  56          3HZ       LYS  56 -12.244  -7.207  -5.665
  424    H    LEU  57           H        LEU  57  -8.601  -0.800  -7.878
  425    HA   LEU  57           HA       LEU  57 -10.790   1.087  -7.741
  426   1HB   LEU  57          2HB       LEU  57  -8.529   0.533  -5.867
  427   2HB   LEU  57          1HB       LEU  57  -9.563   1.938  -5.736
  428    HG   LEU  57           HG       LEU  57 -10.592  -0.868  -5.714
  429   1HD1  LEU  57          1HD1      LEU  57 -10.006   0.974  -3.358
  430   2HD1  LEU  57          2HD1      LEU  57  -9.128  -0.507  -3.745
  431   3HD1  LEU  57          3HD1      LEU  57 -10.813  -0.587  -3.245
  432   1HD2  LEU  57          1HD2      LEU  57 -12.596   0.162  -4.721
  433   2HD2  LEU  57          2HD2      LEU  57 -12.251   0.772  -6.334
  434   3HD2  LEU  57          3HD2      LEU  57 -11.856   1.751  -4.919
  435    HA   PRO  58           HA       PRO  58  -7.929   3.265 -10.509
  436   1HB   PRO  58          2HB       PRO  58  -9.784   4.992 -11.467
  437   2HB   PRO  58          1HB       PRO  58  -9.621   3.332 -12.051
  438   1HG   PRO  58          2HG       PRO  58 -11.546   4.443 -10.040
  439   2HG   PRO  58          1HG       PRO  58 -11.849   3.326 -11.385
  440   1HD   PRO  58          2HD       PRO  58 -11.579   2.412  -8.843
  441   2HD   PRO  58          1HD       PRO  58 -10.988   1.513 -10.247
  442    H    ASN  59           H        ASN  59 -10.114   4.828  -8.173
  443    HA   ASN  59           HA       ASN  59  -8.494   7.266  -8.335
  444   1HB   ASN  59          2HB       ASN  59 -11.000   7.437  -8.394
  445   2HB   ASN  59          1HB       ASN  59 -11.019   6.782  -6.761
  446   1HD2  ASN  59          1HD2      ASN  59 -12.013   8.611  -5.904
  447   2HD2  ASN  59          2HD2      ASN  59 -11.196  10.120  -5.716
  448    H    VAL  60           H        VAL  60  -8.024   4.546  -6.901
  449    HA   VAL  60           HA       VAL  60  -7.182   5.719  -4.358
  450    HB   VAL  60           HB       VAL  60  -7.703   2.797  -5.028
  451   1HG1  VAL  60          1HG1      VAL  60  -6.847   4.063  -2.429
  452   2HG1  VAL  60          2HG1      VAL  60  -5.875   2.986  -3.432
  453   3HG1  VAL  60          3HG1      VAL  60  -7.322   2.377  -2.628
  454   1HG2  VAL  60          1HG2      VAL  60  -9.760   4.085  -4.785
  455   2HG2  VAL  60          2HG2      VAL  60  -9.197   4.720  -3.242
  456   3HG2  VAL  60          3HG2      VAL  60  -9.554   3.002  -3.405
  457    H    LEU  61           H        LEU  61  -5.041   5.731  -3.866
  458    HA   LEU  61           HA       LEU  61  -3.224   5.024  -5.984
  459   1HB   LEU  61          2HB       LEU  61  -2.867   6.399  -3.340
  460   2HB   LEU  61          1HB       LEU  61  -1.624   6.182  -4.542
  461    HG   LEU  61           HG       LEU  61  -4.111   7.852  -4.844
  462   1HD1  LEU  61          1HD1      LEU  61  -2.560   9.755  -4.795
  463   2HD1  LEU  61          2HD1      LEU  61  -1.225   8.645  -4.476
  464   3HD1  LEU  61          3HD1      LEU  61  -2.515   8.828  -3.295
  465   1HD2  LEU  61          1HD2      LEU  61  -3.416   6.928  -6.988
  466   2HD2  LEU  61          2HD2      LEU  61  -1.765   7.489  -6.709
  467   3HD2  LEU  61          3HD2      LEU  61  -3.068   8.658  -6.924
  468    H    PHE  62           H        PHE  62  -1.803   3.368  -5.823
  469    HA   PHE  62           HA       PHE  62  -1.683   1.982  -3.258
  470   1HB   PHE  62          2HB       PHE  62  -1.579   0.726  -5.972
  471   2HB   PHE  62          1HB       PHE  62  -1.317  -0.112  -4.474
  472    HD1  PHE  62           1HD      PHE  62  -3.077  -0.884  -3.109
  473    HD2  PHE  62           2HD      PHE  62  -3.934   1.628  -6.423
  474    HE1  PHE  62           1HE      PHE  62  -5.471  -1.353  -2.833
  475    HE2  PHE  62           2HE      PHE  62  -6.336   1.163  -6.159
  476    HZ   PHE  62           HZ       PHE  62  -7.104  -0.333  -4.357
  477    H    LEU  63           H        LEU  63   0.173   1.549  -2.572
  478    HA   LEU  63           HA       LEU  63   2.522   2.146  -4.227
  479   1HB   LEU  63          2HB       LEU  63   1.912   3.227  -1.520
  480   2HB   LEU  63          1HB       LEU  63   3.569   2.970  -1.995
  481    HG   LEU  63           HG       LEU  63   3.248   4.559  -3.866
  482   1HD1  LEU  63          1HD1      LEU  63   0.557   5.082  -2.633
  483   2HD1  LEU  63          2HD1      LEU  63   0.856   4.371  -4.219
  484   3HD1  LEU  63          3HD1      LEU  63   1.314   6.046  -3.902
  485   1HD2  LEU  63          1HD2      LEU  63   2.582   5.627  -1.145
  486   2HD2  LEU  63          2HD2      LEU  63   3.227   6.557  -2.502
  487   3HD2  LEU  63          3HD2      LEU  63   4.189   5.275  -1.780
  488    H    LYS  64           H        LYS  64   4.406   1.177  -3.699
  489    HA   LYS  64           HA       LYS  64   4.300  -1.077  -1.808
  490   1HB   LYS  64          2HB       LYS  64   3.990  -1.743  -4.269
  491   2HB   LYS  64          1HB       LYS  64   5.601  -1.121  -4.554
  492   1HG   LYS  64          2HG       LYS  64   4.929  -3.376  -2.661
  493   2HG   LYS  64          1HG       LYS  64   5.484  -3.590  -4.314
  494   1HD   LYS  64          2HD       LYS  64   7.608  -2.548  -3.747
  495   2HD   LYS  64          1HD       LYS  64   7.025  -2.211  -2.114
  496   1HE   LYS  64          2HE       LYS  64   6.772  -4.541  -1.697
  497   2HE   LYS  64          1HE       LYS  64   7.321  -4.951  -3.324
  498   1HZ   LYS  64          1HZ       LYS  64   9.477  -3.876  -2.751
  499   2HZ   LYS  64          2HZ       LYS  64   9.133  -5.214  -1.798
  500   3HZ   LYS  64          3HZ       LYS  64   8.930  -3.681  -1.152
  501    H    VAL  65           H        VAL  65   5.724  -0.621  -0.347
  502    HA   VAL  65           HA       VAL  65   8.064   1.017  -1.046
  503    HB   VAL  65           HB       VAL  65   6.972   0.299   1.692
  504   1HG1  VAL  65          1HG1      VAL  65   9.370   0.730   1.726
  505   2HG1  VAL  65          2HG1      VAL  65   8.492   2.029   2.532
  506   3HG1  VAL  65          3HG1      VAL  65   9.117   2.269   0.899
  507   1HG2  VAL  65          1HG2      VAL  65   6.757   2.871   0.150
  508   2HG2  VAL  65          2HG2      VAL  65   6.222   2.615   1.813
  509   3HG2  VAL  65          3HG2      VAL  65   5.445   1.744   0.489
  510    H    ASP  66           H        ASP  66   9.983   0.035  -1.109
  511    HA   ASP  66           HA       ASP  66  10.082  -2.736  -0.258
  512   1HB   ASP  66          2HB       ASP  66  11.062  -2.071  -2.472
  513   2HB   ASP  66          1HB       ASP  66  12.230  -1.123  -1.544
  514    H    THR  67           H        THR  67  10.394  -3.053   1.792
  515    HA   THR  67           HA       THR  67  11.507  -1.067   3.465
  516    HB   THR  67           HB       THR  67  11.182  -2.806   5.260
  517    HG1  THR  67           1HG      THR  67  11.112  -4.769   4.448
  518   1HG2  THR  67          1HG2      THR  67   8.733  -2.719   5.133
  519   2HG2  THR  67          2HG2      THR  67   8.836  -2.233   3.440
  520   3HG2  THR  67          3HG2      THR  67   9.440  -1.162   4.703
  521    H    ASP  68           H        ASP  68  12.981  -3.494   1.661
  522    HA   ASP  68           HA       ASP  68  15.215  -3.836   3.464
  523   1HB   ASP  68          2HB       ASP  68  14.565  -5.566   1.739
  524   2HB   ASP  68          1HB       ASP  68  15.087  -4.434   0.497
  525    H    GLU  69           H        GLU  69  14.342  -2.085   0.633
  526    HA   GLU  69           HA       GLU  69  16.730  -0.618   0.204
  527   1HB   GLU  69          2HB       GLU  69  14.679  -1.054  -1.306
  528   2HB   GLU  69          1HB       GLU  69  13.935   0.207  -0.420
  529   1HG   GLU  69          2HG       GLU  69  14.837   1.123  -2.458
  530   2HG   GLU  69          1HG       GLU  69  15.658   1.801  -1.050
  531    H    LEU  70           H        LEU  70  13.519   0.428   1.300
  532    HA   LEU  70           HA       LEU  70  14.517   2.824   2.495
  533   1HB   LEU  70          2HB       LEU  70  11.824   1.601   2.064
  534   2HB   LEU  70          1HB       LEU  70  12.033   3.035   3.012
  535    HG   LEU  70           HG       LEU  70  11.266   3.719   0.891
  536   1HD1  LEU  70          1HD1      LEU  70  14.218   4.219   0.936
  537   2HD1  LEU  70          2HD1      LEU  70  12.963   5.155   1.742
  538   3HD1  LEU  70          3HD1      LEU  70  13.031   5.109  -0.018
  539   1HD2  LEU  70          1HD2      LEU  70  13.462   2.113  -0.379
  540   2HD2  LEU  70          2HD2      LEU  70  12.294   3.123  -1.231
  541   3HD2  LEU  70          3HD2      LEU  70  11.755   1.680  -0.366
  542    H    LYS  71           H        LYS  71  15.598   0.765   3.831
  543    HA   LYS  71           HA       LYS  71  14.143  -0.410   5.898
  544   1HB   LYS  71          2HB       LYS  71  16.356  -0.902   6.933
  545   2HB   LYS  71          1HB       LYS  71  16.221  -1.364   5.245
  546   1HG   LYS  71          2HG       LYS  71  17.446   0.687   4.622
  547   2HG   LYS  71          1HG       LYS  71  17.636   1.057   6.337
  548   1HD   LYS  71          2HD       LYS  71  18.859  -1.022   6.663
  549   2HD   LYS  71          1HD       LYS  71  18.642  -1.433   4.963
  550   1HE   LYS  71          2HE       LYS  71  20.862  -0.536   5.317
  551   2HE   LYS  71          1HE       LYS  71  19.916   0.576   4.332
  552   1HZ   LYS  71          1HZ       LYS  71  19.537   1.929   6.289
  553   2HZ   LYS  71          2HZ       LYS  71  21.193   1.730   6.039
  554   3HZ   LYS  71          3HZ       LYS  71  20.407   0.850   7.244
  555    H    SER  72           H        SER  72  15.809   2.736   5.914
  556    HA   SER  72           HA       SER  72  15.400   3.028   8.732
  557   1HB   SER  72          2HB       SER  72  16.212   5.028   6.654
  558   2HB   SER  72          1HB       SER  72  16.254   5.331   8.393
  559    HG   SER  72           HG       SER  72  17.663   3.519   8.551
  560    H    VAL  73           H        VAL  73  13.641   3.796   5.872
  561    HA   VAL  73           HA       VAL  73  11.750   5.528   7.155
  562    HB   VAL  73           HB       VAL  73  11.449   3.945   4.584
  563   1HG1  VAL  73          1HG1      VAL  73   9.714   5.577   3.994
  564   2HG1  VAL  73          2HG1      VAL  73   9.898   6.332   5.577
  565   3HG1  VAL  73          3HG1      VAL  73   9.298   4.678   5.456
  566   1HG2  VAL  73          1HG2      VAL  73  12.047   6.041   3.433
  567   2HG2  VAL  73          2HG2      VAL  73  13.359   5.431   4.440
  568   3HG2  VAL  73          3HG2      VAL  73  12.377   6.786   4.997
  569    H    ALA  74           H        ALA  74  11.978   2.119   6.351
  570    HA   ALA  74           HA       ALA  74   9.445   1.240   7.099
  571   1HB   ALA  74          1HB       ALA  74  11.075  -0.135   5.882
  572   2HB   ALA  74          2HB       ALA  74  10.453  -0.967   7.306
  573   3HB   ALA  74          3HB       ALA  74  12.061  -0.245   7.340
  574    H    SER  75           H        SER  75  12.415   1.510   9.063
  575    HA   SER  75           HA       SER  75  11.261   0.550  11.413
  576   1HB   SER  75          2HB       SER  75  13.233   1.630  12.520
  577   2HB   SER  75          1HB       SER  75  13.658   0.585  11.163
  578    HG   SER  75           HG       SER  75  13.463   3.424  11.134
  579    H    ASP  76           H        ASP  76  11.241   3.708   9.944
  580    HA   ASP  76           HA       ASP  76  10.435   5.157  12.274
  581   1HB   ASP  76          2HB       ASP  76  11.534   6.242  10.380
  582   2HB   ASP  76          1HB       ASP  76  10.166   5.853   9.347
  583    H    TRP  77           H        TRP  77   8.775   3.620   9.600
  584    HA   TRP  77           HA       TRP  77   6.208   4.446  10.527
  585   1HB   TRP  77          2HB       TRP  77   7.122   2.772   8.244
  586   2HB   TRP  77          1HB       TRP  77   5.406   2.883   8.635
  587    HD1  TRP  77           HD       TRP  77   8.353   5.176   7.578
  588    HE1  TRP  77           1HE      TRP  77   7.370   7.211   6.339
  589    HE3  TRP  77           3HE      TRP  77   3.388   4.181   8.173
  590    HZ2  TRP  77           2HZ      TRP  77   4.835   8.238   5.681
  591    HZ3  TRP  77           3HZ      TRP  77   1.744   5.735   7.204
  592    HH2  TRP  77           HH       TRP  77   2.459   7.726   5.985
  593    H    ALA  78           H        ALA  78   8.223   2.376  11.782
  594    HA   ALA  78           HA       ALA  78   8.120   0.668  13.260
  595   1HB   ALA  78          1HB       ALA  78   5.140   1.182  13.231
  596   2HB   ALA  78          2HB       ALA  78   6.308   1.993  14.276
  597   3HB   ALA  78          3HB       ALA  78   6.018   0.264  14.453
  598    H    ILE  79           H        ILE  79   7.960   0.145  10.411
  599    HA   ILE  79           HA       ILE  79   6.266  -2.188  10.196
  600    HB   ILE  79           HB       ILE  79   8.283  -1.110   8.200
  601   1HG1  ILE  79          2HG1      ILE  79   6.554   0.568   8.608
  602   2HG1  ILE  79          1HG1      ILE  79   6.344  -0.132   7.009
  603   1HG2  ILE  79          1HG2      ILE  79   7.042  -2.463   6.554
  604   2HG2  ILE  79          2HG2      ILE  79   6.026  -3.085   7.853
  605   3HG2  ILE  79          3HG2      ILE  79   7.748  -3.456   7.830
  606   1HD1  ILE  79          1HD1      ILE  79   4.528  -1.528   7.886
  607   2HD1  ILE  79          2HD1      ILE  79   4.212   0.192   8.103
  608   3HD1  ILE  79          3HD1      ILE  79   4.735  -0.787   9.473
  609    H    GLN  80           H        GLN  80   7.041  -3.778  11.429
  610    HA   GLN  80           HA       GLN  80   9.897  -4.404  11.299
  611   1HB   GLN  80          2HB       GLN  80   7.794  -5.185  13.294
  612   2HB   GLN  80          1HB       GLN  80   9.462  -5.728  13.329
  613   1HG   GLN  80          2HG       GLN  80  10.207  -3.425  13.604
  614   2HG   GLN  80          1HG       GLN  80   8.529  -2.880  13.561
  615   1HE2  GLN  80          1HE2      GLN  80  10.951  -4.511  15.395
  616   2HE2  GLN  80          2HE2      GLN  80  10.110  -4.514  16.894
  617    H    ALA  81           H        ALA  81   6.726  -5.587  10.579
  618    HA   ALA  81           HA       ALA  81   7.881  -8.178   9.868
  619   1HB   ALA  81          1HB       ALA  81   6.186  -8.333  11.632
  620   2HB   ALA  81          2HB       ALA  81   5.642  -9.116  10.148
  621   3HB   ALA  81          3HB       ALA  81   5.027  -7.522  10.579
  622    H    MET  82           H        MET  82   7.526  -8.966   7.822
  623    HA   MET  82           HA       MET  82   6.262  -7.074   6.016
  624   1HB   MET  82          2HB       MET  82   8.309  -9.194   5.435
  625   2HB   MET  82          1HB       MET  82   7.617  -8.108   4.255
  626   1HG   MET  82          2HG       MET  82   8.623  -6.192   5.390
  627   2HG   MET  82          1HG       MET  82   9.293  -7.276   6.607
  628   1HE   MET  82          1HE       MET  82  11.860  -9.364   4.520
  629   2HE   MET  82          2HE       MET  82  10.178  -9.787   4.802
  630   3HE   MET  82          3HE       MET  82  11.146  -9.107   6.112
  631    HA   PRO  83           HA       PRO  83   5.311  -6.889   4.417
  632   1HB   PRO  83          2HB       PRO  83   3.111  -6.877   2.923
  633   2HB   PRO  83          1HB       PRO  83   4.526  -7.818   2.432
  634   1HG   PRO  83          2HG       PRO  83   1.963  -8.750   3.599
  635   2HG   PRO  83          1HG       PRO  83   3.035  -9.552   2.440
  636   1HD   PRO  83          2HD       PRO  83   2.920  -9.978   5.252
  637   2HD   PRO  83          1HD       PRO  83   4.110 -10.640   4.117
  638    H    THR  84           H        THR  84   4.163  -4.958   4.993
  639    HA   THR  84           HA       THR  84   1.809  -5.397   6.668
  640    HB   THR  84           HB       THR  84   3.758  -3.188   6.794
  641    HG1  THR  84           1HG      THR  84   4.444  -5.268   7.755
  642   1HG2  THR  84          1HG2      THR  84   1.355  -3.737   8.545
  643   2HG2  THR  84          2HG2      THR  84   1.549  -2.392   7.419
  644   3HG2  THR  84          3HG2      THR  84   2.544  -2.476   8.873
  645    H    PHE  85           H        PHE  85  -0.041  -4.566   5.903
  646    HA   PHE  85           HA       PHE  85   0.129  -2.736   3.663
  647   1HB   PHE  85          2HB       PHE  85  -2.101  -4.526   4.651
  648   2HB   PHE  85          1HB       PHE  85  -2.169  -3.449   3.281
  649    HD1  PHE  85           1HD      PHE  85  -0.955  -3.973   1.225
  650    HD2  PHE  85           2HD      PHE  85  -0.970  -6.634   4.544
  651    HE1  PHE  85           1HE      PHE  85  -0.153  -5.781  -0.228
  652    HE2  PHE  85           2HE      PHE  85  -0.165  -8.448   3.098
  653    HZ   PHE  85           HZ       PHE  85   0.242  -8.019   0.704
  654    H    MET  86           H        MET  86  -0.360  -0.717   4.156
  655    HA   MET  86           HA       MET  86  -1.999  -0.282   6.546
  656   1HB   MET  86          2HB       MET  86   0.215   0.707   6.717
  657   2HB   MET  86          1HB       MET  86  -0.073   1.623   5.235
  658   1HG   MET  86          2HG       MET  86  -1.882   2.836   6.323
  659   2HG   MET  86          1HG       MET  86  -1.642   1.907   7.792
  660   1HE   MET  86          1HE       MET  86   1.634   1.777   7.861
  661   2HE   MET  86          2HE       MET  86   0.563   1.998   9.235
  662   3HE   MET  86          3HE       MET  86   1.894   3.122   8.976
  663    H    PHE  87           H        PHE  87  -3.978   0.382   6.251
  664    HA   PHE  87           HA       PHE  87  -4.702   1.454   3.681
  665   1HB   PHE  87          2HB       PHE  87  -6.177   0.125   5.931
  666   2HB   PHE  87          1HB       PHE  87  -6.960   0.872   4.560
  667    HD1  PHE  87           1HD      PHE  87  -7.114  -0.288   2.476
  668    HD2  PHE  87           2HD      PHE  87  -4.745  -1.887   5.627
  669    HE1  PHE  87           1HE      PHE  87  -6.921  -2.410   1.249
  670    HE2  PHE  87           2HE      PHE  87  -4.543  -4.010   4.401
  671    HZ   PHE  87           HZ       PHE  87  -5.629  -4.275   2.213
  672    H    LEU  88           H        LEU  88  -4.816   3.677   3.735
  673    HA   LEU  88           HA       LEU  88  -6.105   4.713   6.034
  674   1HB   LEU  88          2HB       LEU  88  -4.552   6.620   6.165
  675   2HB   LEU  88          1HB       LEU  88  -3.780   5.081   6.478
  676    HG   LEU  88           HG       LEU  88  -2.276   6.475   5.391
  677   1HD1  LEU  88          1HD1      LEU  88  -2.017   4.259   4.728
  678   2HD1  LEU  88          2HD1      LEU  88  -1.615   5.332   3.395
  679   3HD1  LEU  88          3HD1      LEU  88  -3.153   4.466   3.393
  680   1HD2  LEU  88          1HD2      LEU  88  -2.624   7.518   3.201
  681   2HD2  LEU  88          2HD2      LEU  88  -3.744   8.117   4.425
  682   3HD2  LEU  88          3HD2      LEU  88  -4.293   6.954   3.221
  683    H    LYS  89           H        LYS  89  -6.826   7.040   5.525
  684    HA   LYS  89           HA       LYS  89  -7.620   7.125   2.712
  685   1HB   LYS  89          2HB       LYS  89  -9.410   6.059   3.888
  686   2HB   LYS  89          1HB       LYS  89  -9.444   7.350   5.082
  687   1HG   LYS  89          2HG       LYS  89 -10.181   8.916   3.389
  688   2HG   LYS  89          1HG       LYS  89 -10.122   7.651   2.152
  689   1HD   LYS  89          2HD       LYS  89 -11.899   7.696   4.602
  690   2HD   LYS  89          1HD       LYS  89 -12.411   8.060   2.955
  691   1HE   LYS  89          2HE       LYS  89 -11.800   5.771   2.285
  692   2HE   LYS  89          1HE       LYS  89 -11.344   5.409   3.939
  693   1HZ   LYS  89          1HZ       LYS  89 -13.558   4.632   3.445
  694   2HZ   LYS  89          2HZ       LYS  89 -14.034   6.170   3.002
  695   3HZ   LYS  89          3HZ       LYS  89 -13.646   5.853   4.605
  696    H    GLU  90           H        GLU  90  -7.137   8.937   1.868
  697    HA   GLU  90           HA       GLU  90  -6.853  11.006   1.433
  698   1HB   GLU  90          2HB       GLU  90  -8.575  11.467   3.833
  699   2HB   GLU  90          1HB       GLU  90  -8.176  12.757   2.704
  700   1HG   GLU  90          2HG       GLU  90  -9.281  11.507   0.916
  701   2HG   GLU  90          1HG       GLU  90  -9.695  10.223   2.035
  702    H    GLY  91           H        GLY  91  -5.034   9.654   3.284
  703   1HA   GLY  91          2HA       GLY  91  -2.946  10.330   4.132
  704   2HA   GLY  91          1HA       GLY  91  -3.590  11.945   4.369
  705    H    LYS  92           H        LYS  92  -5.938  10.107   5.650
  706    HA   LYS  92           HA       LYS  92  -4.747  10.221   8.333
  707   1HB   LYS  92          2HB       LYS  92  -7.647   9.939   7.517
  708   2HB   LYS  92          1HB       LYS  92  -7.073   9.969   9.169
  709   1HG   LYS  92          2HG       LYS  92  -8.035  12.095   8.671
  710   2HG   LYS  92          1HG       LYS  92  -6.296  12.314   8.780
  711   1HD   LYS  92          2HD       LYS  92  -6.133  12.332   6.353
  712   2HD   LYS  92          1HD       LYS  92  -7.859  12.018   6.212
  713   1HE   LYS  92          2HE       LYS  92  -6.606  14.458   7.466
  714   2HE   LYS  92          1HE       LYS  92  -7.335  14.392   5.862
  715   1HZ   LYS  92          1HZ       LYS  92  -8.749  13.962   8.442
  716   2HZ   LYS  92          2HZ       LYS  92  -9.457  13.837   6.924
  717   3HZ   LYS  92          3HZ       LYS  92  -8.875  15.315   7.450
  718    H    ILE  93           H        ILE  93  -4.441   8.369   9.493
  719    HA   ILE  93           HA       ILE  93  -4.539   5.915   8.029
  720    HB   ILE  93           HB       ILE  93  -3.706   6.412  10.903
  721   1HG1  ILE  93          2HG1      ILE  93  -2.066   6.075   8.375
  722   2HG1  ILE  93          1HG1      ILE  93  -2.335   7.583   9.237
  723   1HG2  ILE  93          1HG2      ILE  93  -4.357   4.073  10.549
  724   2HG2  ILE  93          2HG2      ILE  93  -2.611   4.207  10.762
  725   3HG2  ILE  93          3HG2      ILE  93  -3.288   3.978   9.150
  726   1HD1  ILE  93          1HD1      ILE  93  -1.122   6.697  11.164
  727   2HD1  ILE  93          2HD1      ILE  93  -0.135   6.662   9.700
  728   3HD1  ILE  93          3HD1      ILE  93  -0.870   5.177  10.302
  729    H    LEU  94           H        LEU  94  -5.954   4.281   8.074
  730    HA   LEU  94           HA       LEU  94  -8.205   4.534   9.896
  731   1HB   LEU  94          2HB       LEU  94  -7.892   3.023   7.327
  732   2HB   LEU  94          1HB       LEU  94  -9.319   2.991   8.316
  733    HG   LEU  94           HG       LEU  94  -8.220   5.384   6.846
  734   1HD1  LEU  94          1HD1      LEU  94  -9.286   3.765   5.398
  735   2HD1  LEU  94          2HD1      LEU  94 -10.278   5.216   5.577
  736   3HD1  LEU  94          3HD1      LEU  94 -10.710   3.750   6.446
  737   1HD2  LEU  94          1HD2      LEU  94 -10.249   6.546   7.592
  738   2HD2  LEU  94          2HD2      LEU  94  -9.225   6.095   8.949
  739   3HD2  LEU  94          3HD2      LEU  94 -10.677   5.161   8.594
  740    H    ASP  95           H        ASP  95  -6.445   1.878   8.243
  741    HA   ASP  95           HA       ASP  95  -6.124   0.592  10.761
  742   1HB   ASP  95          2HB       ASP  95  -7.015  -1.512   9.897
  743   2HB   ASP  95          1HB       ASP  95  -8.267  -0.334  10.272
  744    H    LYS  96           H        LYS  96  -4.846  -1.284  10.661
  745    HA   LYS  96           HA       LYS  96  -2.899  -1.221   8.433
  746   1HB   LYS  96          2HB       LYS  96  -2.263  -1.523  11.378
  747   2HB   LYS  96          1HB       LYS  96  -1.106  -1.517  10.064
  748   1HG   LYS  96          2HG       LYS  96  -1.564   0.810   9.615
  749   2HG   LYS  96          1HG       LYS  96  -2.848   0.825  10.825
  750   1HD   LYS  96          2HD       LYS  96  -1.162   0.259  12.554
  751   2HD   LYS  96          1HD       LYS  96   0.098   0.367  11.326
  752   1HE   LYS  96          2HE       LYS  96  -0.453   2.724  10.953
  753   2HE   LYS  96          1HE       LYS  96  -1.753   2.609  12.133
  754   1HZ   LYS  96          1HZ       LYS  96   0.247   3.610  13.075
  755   2HZ   LYS  96          2HZ       LYS  96   1.133   2.225  12.734
  756   3HZ   LYS  96          3HZ       LYS  96  -0.127   2.162  13.850
  757    H    VAL  97           H        VAL  97  -2.383  -3.240   7.679
  758    HA   VAL  97           HA       VAL  97  -3.227  -5.545   9.304
  759    HB   VAL  97           HB       VAL  97  -2.853  -5.430   6.291
  760   1HG1  VAL  97          1HG1      VAL  97  -2.421  -7.642   7.195
  761   2HG1  VAL  97          2HG1      VAL  97  -3.923  -7.638   6.273
  762   3HG1  VAL  97          3HG1      VAL  97  -3.972  -7.621   8.035
  763   1HG2  VAL  97          1HG2      VAL  97  -5.421  -5.510   7.874
  764   2HG2  VAL  97          2HG2      VAL  97  -5.295  -5.605   6.119
  765   3HG2  VAL  97          3HG2      VAL  97  -4.812  -4.132   6.960
  766    H    VAL  98           H        VAL  98  -1.539  -6.580  10.134
  767    HA   VAL  98           HA       VAL  98   1.021  -6.323   8.775
  768    HB   VAL  98           HB       VAL  98   1.024  -5.474  11.057
  769   1HG1  VAL  98          1HG1      VAL  98   0.233  -8.233  11.935
  770   2HG1  VAL  98          2HG1      VAL  98  -0.728  -6.756  12.075
  771   3HG1  VAL  98          3HG1      VAL  98   0.755  -6.937  13.012
  772   1HG2  VAL  98          1HG2      VAL  98   3.090  -6.427  10.242
  773   2HG2  VAL  98          2HG2      VAL  98   2.600  -8.026  10.797
  774   3HG2  VAL  98          3HG2      VAL  98   2.929  -6.750  11.971
  775    H    GLY  99           H        GLY  99   1.746  -7.966   7.650
  776   1HA   GLY  99          2HA       GLY  99   2.442 -10.177   7.388
  777   2HA   GLY  99          1HA       GLY  99   1.247 -10.671   8.583
  778    H    ALA 100           H        ALA 100   1.794 -11.538   5.710
  779    HA   ALA 100           HA       ALA 100  -0.641 -10.764   4.355
  780   1HB   ALA 100          1HB       ALA 100   0.080 -12.387   2.665
  781   2HB   ALA 100          2HB       ALA 100   1.383 -12.924   3.722
  782   3HB   ALA 100          3HB       ALA 100   1.397 -11.286   3.069
  783    H    LYS 101           H        LYS 101  -2.385 -11.411   5.231
  784    HA   LYS 101           HA       LYS 101  -2.702 -14.217   5.932
  785   1HB   LYS 101          2HB       LYS 101  -3.864 -11.744   7.152
  786   2HB   LYS 101          1HB       LYS 101  -4.412 -13.364   7.549
  787   1HG   LYS 101          2HG       LYS 101  -2.160 -13.838   8.490
  788   2HG   LYS 101          1HG       LYS 101  -1.679 -12.184   8.092
  789   1HD   LYS 101          2HD       LYS 101  -3.388 -11.380   9.457
  790   2HD   LYS 101          1HD       LYS 101  -3.889 -13.036   9.817
  791   1HE   LYS 101          2HE       LYS 101  -1.688 -13.454  10.836
  792   2HE   LYS 101          1HE       LYS 101  -1.227 -11.783  10.513
  793   1HZ   LYS 101          1HZ       LYS 101  -3.018 -11.050  11.965
  794   2HZ   LYS 101          2HZ       LYS 101  -1.947 -12.029  12.797
  795   3HZ   LYS 101          3HZ       LYS 101  -3.447 -12.647  12.300
  796    H    LYS 102           H        LYS 102  -4.137 -15.135   4.578
  797    HA   LYS 102           HA       LYS 102  -5.294 -13.728   2.499
  798   1HB   LYS 102          2HB       LYS 102  -4.697 -16.081   2.445
  799   2HB   LYS 102          1HB       LYS 102  -5.961 -16.421   3.619
  800   1HG   LYS 102          2HG       LYS 102  -7.639 -15.690   2.040
  801   2HG   LYS 102          1HG       LYS 102  -6.374 -15.353   0.851
  802   1HD   LYS 102          2HD       LYS 102  -6.992 -18.068   2.043
  803   2HD   LYS 102          1HD       LYS 102  -7.475 -17.534   0.435
  804   1HE   LYS 102          2HE       LYS 102  -5.096 -17.297  -0.177
  805   2HE   LYS 102          1HE       LYS 102  -4.634 -17.844   1.429
  806   1HZ   LYS 102          1HZ       LYS 102  -5.718 -19.955   0.987
  807   2HZ   LYS 102          2HZ       LYS 102  -4.548 -19.650  -0.192
  808   3HZ   LYS 102          3HZ       LYS 102  -6.181 -19.423  -0.536
  809    H    ASP 103           H        ASP 103  -6.797 -15.073   5.458
  810    HA   ASP 103           HA       ASP 103  -9.399 -14.209   4.665
  811   1HB   ASP 103          2HB       ASP 103  -9.159 -16.171   6.090
  812   2HB   ASP 103          1HB       ASP 103  -8.443 -15.186   7.358
  813    H    GLU 104           H        GLU 104  -7.001 -12.970   6.886
  814    HA   GLU 104           HA       GLU 104  -8.594 -10.852   7.928
  815   1HB   GLU 104          2HB       GLU 104  -5.601 -11.029   7.647
  816   2HB   GLU 104          1HB       GLU 104  -6.437  -9.789   8.556
  817   1HG   GLU 104          2HG       GLU 104  -6.546 -12.732   9.166
  818   2HG   GLU 104          1HG       GLU 104  -5.483 -11.570   9.956
  819    H    LEU 105           H        LEU 105  -6.447 -10.986   5.127
  820    HA   LEU 105           HA       LEU 105  -6.590  -8.253   4.529
  821   1HB   LEU 105          2HB       LEU 105  -5.050  -9.953   3.495
  822   2HB   LEU 105          1HB       LEU 105  -6.406 -10.524   2.587
  823    HG   LEU 105           HG       LEU 105  -6.688  -8.359   1.492
  824   1HD1  LEU 105          1HD1      LEU 105  -4.165  -7.581   2.951
  825   2HD1  LEU 105          2HD1      LEU 105  -5.767  -6.877   3.179
  826   3HD1  LEU 105          3HD1      LEU 105  -4.917  -6.658   1.654
  827   1HD2  LEU 105          1HD2      LEU 105  -4.715  -8.476   0.055
  828   2HD2  LEU 105          2HD2      LEU 105  -5.355 -10.080   0.415
  829   3HD2  LEU 105          3HD2      LEU 105  -3.913  -9.490   1.255
  830    H    GLN 106           H        GLN 106  -8.358 -11.000   3.312
  831    HA   GLN 106           HA       GLN 106 -10.196  -9.582   1.728
  832   1HB   GLN 106          2HB       GLN 106 -10.686 -12.227   3.114
  833   2HB   GLN 106          1HB       GLN 106 -11.654 -11.560   1.808
  834   1HG   GLN 106          2HG       GLN 106  -8.769 -12.402   1.636
  835   2HG   GLN 106          1HG       GLN 106 -10.153 -13.273   0.987
  836   1HE2  GLN 106          1HE2      GLN 106  -7.795 -12.226  -0.343
  837   2HE2  GLN 106          2HE2      GLN 106  -8.380 -11.170  -1.571
  838    H    SER 107           H        SER 107 -10.305 -10.263   5.192
  839    HA   SER 107           HA       SER 107 -12.984  -9.337   5.460
  840   1HB   SER 107          2HB       SER 107 -10.793  -9.611   7.528
  841   2HB   SER 107          1HB       SER 107 -12.513  -9.387   7.873
  842    HG   SER 107           HG       SER 107 -11.203 -11.603   6.711
  843    H    THR 108           H        THR 108  -9.810  -7.848   5.718
  844    HA   THR 108           HA       THR 108 -10.702  -5.277   6.553
  845    HB   THR 108           HB       THR 108  -8.233  -6.121   5.008
  846    HG1  THR 108           1HG      THR 108  -8.154  -7.091   7.000
  847   1HG2  THR 108          1HG2      THR 108  -7.252  -4.005   5.817
  848   2HG2  THR 108          2HG2      THR 108  -8.793  -3.575   6.556
  849   3HG2  THR 108          3HG2      THR 108  -8.665  -3.710   4.802
  850    H    ILE 109           H        ILE 109 -10.216  -6.777   3.380
  851    HA   ILE 109           HA       ILE 109 -10.784  -4.425   1.948
  852    HB   ILE 109           HB       ILE 109 -11.071  -7.317   1.061
  853   1HG1  ILE 109          2HG1      ILE 109  -8.829  -5.326   0.660
  854   2HG1  ILE 109          1HG1      ILE 109  -8.804  -6.669   1.799
  855   1HG2  ILE 109          1HG2      ILE 109 -10.967  -6.399  -1.225
  856   2HG2  ILE 109          2HG2      ILE 109 -10.906  -4.768  -0.543
  857   3HG2  ILE 109          3HG2      ILE 109 -12.358  -5.745  -0.345
  858   1HD1  ILE 109          1HD1      ILE 109  -8.924  -8.238  -0.052
  859   2HD1  ILE 109          2HD1      ILE 109  -7.546  -7.141  -0.208
  860   3HD1  ILE 109          3HD1      ILE 109  -8.990  -6.891  -1.189
  861    H    ALA 110           H        ALA 110 -12.820  -6.994   3.239
  862    HA   ALA 110           HA       ALA 110 -15.227  -6.039   2.062
  863   1HB   ALA 110          1HB       ALA 110 -15.007  -8.343   2.921
  864   2HB   ALA 110          2HB       ALA 110 -16.377  -7.505   3.650
  865   3HB   ALA 110          3HB       ALA 110 -14.876  -7.705   4.558
  866    H    LYS 111           H        LYS 111 -13.507  -5.234   5.101
  867    HA   LYS 111           HA       LYS 111 -15.448  -3.740   6.249
  868   1HB   LYS 111          2HB       LYS 111 -12.613  -4.131   6.232
  869   2HB   LYS 111          1HB       LYS 111 -13.080  -2.765   7.154
  870   1HG   LYS 111          2HG       LYS 111 -14.605  -4.421   8.423
  871   2HG   LYS 111          1HG       LYS 111 -13.747  -5.685   7.533
  872   1HD   LYS 111          2HD       LYS 111 -11.635  -4.936   8.501
  873   2HD   LYS 111          1HD       LYS 111 -12.473  -3.634   9.343
  874   1HE   LYS 111          2HE       LYS 111 -13.778  -5.290  10.592
  875   2HE   LYS 111          1HE       LYS 111 -12.928  -6.586   9.747
  876   1HZ   LYS 111          1HZ       LYS 111 -10.873  -5.860  10.756
  877   2HZ   LYS 111          2HZ       LYS 111 -12.016  -6.160  11.946
  878   3HZ   LYS 111          3HZ       LYS 111 -11.654  -4.572  11.517
  879    H    HIS 112           H        HIS 112 -12.979  -3.032   3.816
  880    HA   HIS 112           HA       HIS 112 -13.620  -0.242   3.791
  881   1HB   HIS 112          2HB       HIS 112 -11.702  -1.970   2.291
  882   2HB   HIS 112          1HB       HIS 112 -12.023  -0.323   1.787
  883    HD1  HIS 112           1HD      HIS 112 -10.641   1.416   2.891
  884    HD2  HIS 112           2HD      HIS 112 -10.550  -2.158   4.977
  885    HE1  HIS 112           1HE      HIS 112  -8.919   1.733   4.692
  886    HE2  HIS 112           2HE      HIS 112  -9.118  -0.340   6.108
  887    H    LEU 113           H        LEU 113 -14.676  -3.134   2.062
  888    HA   LEU 113           HA       LEU 113 -15.406  -2.051  -0.341
  889   1HB   LEU 113          2HB       LEU 113 -15.121  -4.421   0.420
  890   2HB   LEU 113          1HB       LEU 113 -16.650  -4.220   1.240
  891    HG   LEU 113           HG       LEU 113 -16.684  -5.494  -0.771
  892   1HD1  LEU 113          1HD1      LEU 113 -18.381  -2.975  -0.904
  893   2HD1  LEU 113          2HD1      LEU 113 -18.794  -4.475  -0.073
  894   3HD1  LEU 113          3HD1      LEU 113 -18.719  -4.434  -1.836
  895   1HD2  LEU 113          1HD2      LEU 113 -16.609  -4.396  -3.005
  896   2HD2  LEU 113          2HD2      LEU 113 -15.074  -4.398  -2.135
  897   3HD2  LEU 113          3HD2      LEU 113 -16.052  -2.931  -2.200
  898    H    ALA 114           H        ALA 114 -16.695  -0.376  -0.554
  899    HA   ALA 114           HA       ALA 114 -19.399  -0.437   0.201
  900   1HB   ALA 114          1HB       ALA 114 -18.524   0.289   2.390
  901   2HB   ALA 114          2HB       ALA 114 -19.400   1.610   1.613
  902   3HB   ALA 114          3HB       ALA 114 -17.638   1.599   1.609
  Start of MODEL   11
    1    H    MET   1           H        MET   1 -13.836   3.442 -14.622
    2    HA   MET   1           HA       MET   1 -13.018   6.006 -15.585
    3   1HB   MET   1          2HB       MET   1 -12.416   5.340 -13.298
    4   2HB   MET   1          1HB       MET   1 -11.437   4.023 -13.932
    5   1HG   MET   1          2HG       MET   1  -9.964   5.623 -15.035
    6   2HG   MET   1          1HG       MET   1 -10.954   6.947 -14.438
    7   1HE   MET   1          1HE       MET   1  -7.617   7.268 -12.427
    8   2HE   MET   1          2HE       MET   1  -8.758   8.094 -13.486
    9   3HE   MET   1          3HE       MET   1  -7.805   6.738 -14.097
   10    H    ALA   2           H        ALA   2 -12.001   6.454 -17.387
   11    HA   ALA   2           HA       ALA   2 -11.048   4.327 -19.022
   12   1HB   ALA   2          1HB       ALA   2 -12.177   6.248 -20.022
   13   2HB   ALA   2          2HB       ALA   2 -10.534   6.082 -20.651
   14   3HB   ALA   2          3HB       ALA   2 -10.895   7.307 -19.441
   15    H    SER   3           H        SER   3  -9.434   3.408 -17.929
   16    HA   SER   3           HA       SER   3  -6.829   4.359 -18.343
   17   1HB   SER   3          2HB       SER   3  -7.401   5.710 -16.314
   18   2HB   SER   3          1HB       SER   3  -7.842   4.231 -15.469
   19    HG   SER   3           HG       SER   3  -5.838   4.368 -14.858
   20    H    GLU   4           H        GLU   4  -5.349   2.540 -17.874
   21    HA   GLU   4           HA       GLU   4  -6.662   0.056 -17.991
   22   1HB   GLU   4          2HB       GLU   4  -4.343  -0.806 -18.016
   23   2HB   GLU   4          1HB       GLU   4  -4.701   0.337 -19.306
   24   1HG   GLU   4          2HG       GLU   4  -3.498   2.071 -18.078
   25   2HG   GLU   4          1HG       GLU   4  -3.202   0.938 -16.762
   26    H    GLU   5           H        GLU   5  -4.765   1.818 -15.638
   27    HA   GLU   5           HA       GLU   5  -4.315   1.597 -13.475
   28   1HB   GLU   5          2HB       GLU   5  -6.930   0.095 -13.455
   29   2HB   GLU   5          1HB       GLU   5  -6.062   0.546 -11.996
   30   1HG   GLU   5          2HG       GLU   5  -7.174   2.425 -14.065
   31   2HG   GLU   5          1HG       GLU   5  -7.815   2.137 -12.450
   32    H    GLY   6           H        GLY   6  -4.480  -0.287 -11.608
   33   1HA   GLY   6          2HA       GLY   6  -3.589  -2.383 -11.012
   34   2HA   GLY   6          1HA       GLY   6  -3.049  -2.604 -12.681
   35    H    GLN   7           H        GLN   7  -2.523   0.470 -11.509
   36    HA   GLN   7           HA       GLN   7   0.249  -0.176 -11.344
   37   1HB   GLN   7          2HB       GLN   7   0.659   2.275 -11.699
   38   2HB   GLN   7          1HB       GLN   7   0.116   1.301 -13.045
   39   1HG   GLN   7          2HG       GLN   7  -1.052   3.384 -13.200
   40   2HG   GLN   7          1HG       GLN   7  -2.229   2.254 -12.552
   41   1HE2  GLN   7          1HE2      GLN   7  -3.494   3.898 -11.623
   42   2HE2  GLN   7          2HE2      GLN   7  -2.952   4.793 -10.263
   43    H    VAL   8           H        VAL   8   1.388   0.086  -9.894
   44    HA   VAL   8           HA       VAL   8   0.452   1.303  -7.381
   45    HB   VAL   8           HB       VAL   8   2.337  -1.058  -7.717
   46   1HG1  VAL   8          1HG1      VAL   8   2.139  -1.305  -5.306
   47   2HG1  VAL   8          2HG1      VAL   8   1.168   0.169  -5.238
   48   3HG1  VAL   8          3HG1      VAL   8   2.856   0.245  -5.747
   49   1HG2  VAL   8          1HG2      VAL   8   0.062  -1.708  -8.263
   50   2HG2  VAL   8          2HG2      VAL   8  -0.517  -1.018  -6.749
   51   3HG2  VAL   8          3HG2      VAL   8   0.548  -2.423  -6.725
   52    H    ILE   9           H        ILE   9   1.923   2.782  -6.453
   53    HA   ILE   9           HA       ILE   9   4.111   3.469  -8.190
   54    HB   ILE   9           HB       ILE   9   3.158   4.723  -5.624
   55   1HG1  ILE   9          2HG1      ILE   9   1.525   4.965  -7.410
   56   2HG1  ILE   9          1HG1      ILE   9   2.321   6.502  -7.088
   57   1HG2  ILE   9          1HG2      ILE   9   5.545   5.171  -5.965
   58   2HG2  ILE   9          2HG2      ILE   9   4.597   6.634  -6.205
   59   3HG2  ILE   9          3HG2      ILE   9   5.209   5.745  -7.600
   60   1HD1  ILE   9          1HD1      ILE   9   1.996   6.151  -9.472
   61   2HD1  ILE   9          2HD1      ILE   9   2.928   4.661  -9.397
   62   3HD1  ILE   9          3HD1      ILE   9   3.712   6.208  -9.072
   63    H    ALA  10           H        ALA  10   5.922   2.399  -7.996
   64    HA   ALA  10           HA       ALA  10   6.677   1.173  -5.478
   65   1HB   ALA  10          1HB       ALA  10   6.860  -0.156  -7.533
   66   2HB   ALA  10          2HB       ALA  10   8.438   0.081  -6.784
   67   3HB   ALA  10          3HB       ALA  10   7.983   1.028  -8.199
   68    H    CYS  11           H        CYS  11   7.787   2.373  -4.080
   69    HA   CYS  11           HA       CYS  11   9.301   4.603  -5.079
   70   1HB   CYS  11          2HB       CYS  11   8.817   3.767  -2.245
   71   2HB   CYS  11          1HB       CYS  11   9.358   5.294  -2.861
   72    HG   CYS  11           HG       CYS  11   6.261   4.166  -3.737
   73    H    HIS  12           H        HIS  12  11.308   4.129  -5.620
   74    HA   HIS  12           HA       HIS  12  12.766   2.028  -4.204
   75   1HB   HIS  12          2HB       HIS  12  13.468   3.653  -6.662
   76   2HB   HIS  12          1HB       HIS  12  14.499   2.419  -5.975
   77    HD1  HIS  12           1HD      HIS  12  14.034   0.031  -6.694
   78    HD2  HIS  12           2HD      HIS  12  11.069   2.675  -7.895
   79    HE1  HIS  12           1HE      HIS  12  12.577  -1.265  -8.276
   80    HE2  HIS  12           2HE      HIS  12  11.069   0.468  -9.243
   81    H    THR  13           H        THR  13  12.064   5.152  -3.790
   82    HA   THR  13           HA       THR  13  14.536   5.748  -2.386
   83    HB   THR  13           HB       THR  13  13.321   7.801  -4.176
   84    HG1  THR  13           1HG      THR  13  13.976   6.237  -5.664
   85   1HG2  THR  13          1HG2      THR  13  16.105   7.421  -3.091
   86   2HG2  THR  13          2HG2      THR  13  14.896   8.565  -2.499
   87   3HG2  THR  13          3HG2      THR  13  15.597   8.767  -4.107
   88    H    VAL  14           H        VAL  14  14.128   7.591  -1.008
   89    HA   VAL  14           HA       VAL  14  11.544   7.566   0.215
   90    HB   VAL  14           HB       VAL  14  13.636   7.878   1.527
   91   1HG1  VAL  14          1HG1      VAL  14  13.769  10.604   0.262
   92   2HG1  VAL  14          2HG1      VAL  14  14.902   9.280   0.020
   93   3HG1  VAL  14          3HG1      VAL  14  14.770  10.050   1.604
   94   1HG2  VAL  14          1HG2      VAL  14  12.838   9.678   3.025
   95   2HG2  VAL  14          2HG2      VAL  14  11.562   8.559   2.562
   96   3HG2  VAL  14          3HG2      VAL  14  11.663  10.149   1.798
   97    H    GLU  15           H        GLU  15  13.098   9.422  -2.162
   98    HA   GLU  15           HA       GLU  15  11.735  11.870  -2.084
   99   1HB   GLU  15          2HB       GLU  15  13.831  11.324  -3.353
  100   2HB   GLU  15          1HB       GLU  15  12.877  10.363  -4.447
  101   1HG   GLU  15          2HG       GLU  15  12.579  13.355  -4.112
  102   2HG   GLU  15          1HG       GLU  15  13.584  12.579  -5.321
  103    H    THR  16           H        THR  16  11.144   8.959  -4.060
  104    HA   THR  16           HA       THR  16   8.743   9.785  -5.243
  105    HB   THR  16           HB       THR  16   9.670   6.969  -4.635
  106    HG1  THR  16           1HG      THR  16  10.306   8.701  -6.814
  107   1HG2  THR  16          1HG2      THR  16   7.982   8.103  -6.877
  108   2HG2  THR  16          2HG2      THR  16   7.378   7.143  -5.530
  109   3HG2  THR  16          3HG2      THR  16   8.470   6.416  -6.713
  110    H    TRP  17           H        TRP  17   9.523   8.052  -2.329
  111    HA   TRP  17           HA       TRP  17   7.016   7.169  -1.550
  112   1HB   TRP  17          2HB       TRP  17   8.970   6.229  -0.607
  113   2HB   TRP  17          1HB       TRP  17   9.565   7.804  -0.122
  114    HD1  TRP  17           HD       TRP  17   9.540   8.029   2.378
  115    HE1  TRP  17           1HE      TRP  17   8.078   7.250   4.298
  116    HE3  TRP  17           3HE      TRP  17   6.034   5.491  -0.314
  117    HZ2  TRP  17           2HZ      TRP  17   5.691   5.746   4.643
  118    HZ3  TRP  17           3HZ      TRP  17   4.190   4.425   0.885
  119    HH2  TRP  17           HH       TRP  17   4.021   4.549   3.320
  120    H    ASN  18           H        ASN  18   8.767  10.078  -0.493
  121    HA   ASN  18           HA       ASN  18   6.639  10.892   1.228
  122   1HB   ASN  18          2HB       ASN  18   9.040  11.451   1.569
  123   2HB   ASN  18          1HB       ASN  18   8.928  12.558   0.217
  124   1HD2  ASN  18          1HD2      ASN  18   9.410  14.333   1.485
  125   2HD2  ASN  18          2HD2      ASN  18   8.280  15.007   2.589
  126    H    GLU  19           H        GLU  19   7.693  11.861  -1.968
  127    HA   GLU  19           HA       GLU  19   6.167  14.197  -2.303
  128   1HB   GLU  19          2HB       GLU  19   8.006  13.484  -3.796
  129   2HB   GLU  19          1HB       GLU  19   6.994  12.187  -4.399
  130   1HG   GLU  19          2HG       GLU  19   7.042  13.989  -5.986
  131   2HG   GLU  19          1HG       GLU  19   5.430  13.853  -5.291
  132    H    GLN  20           H        GLN  20   5.340  10.792  -3.235
  133    HA   GLN  20           HA       GLN  20   2.872  11.450  -4.186
  134   1HB   GLN  20          2HB       GLN  20   4.407   9.087  -3.575
  135   2HB   GLN  20          1HB       GLN  20   2.672   8.846  -3.720
  136   1HG   GLN  20          2HG       GLN  20   3.879   8.459  -5.867
  137   2HG   GLN  20          1HG       GLN  20   2.706   9.777  -5.916
  138   1HE2  GLN  20          1HE2      GLN  20   6.083   9.003  -5.901
  139   2HE2  GLN  20          2HE2      GLN  20   6.633  10.528  -6.513
  140    H    LEU  21           H        LEU  21   3.928  10.621  -0.858
  141    HA   LEU  21           HA       LEU  21   1.390  10.129   0.106
  142   1HB   LEU  21          2HB       LEU  21   3.912  11.101   1.245
  143   2HB   LEU  21          1HB       LEU  21   2.519  10.746   2.224
  144    HG   LEU  21           HG       LEU  21   4.162   8.799   0.600
  145   1HD1  LEU  21          1HD1      LEU  21   4.733   7.857   2.777
  146   2HD1  LEU  21          2HD1      LEU  21   3.799   9.126   3.570
  147   3HD1  LEU  21          3HD1      LEU  21   5.238   9.540   2.638
  148   1HD2  LEU  21          1HD2      LEU  21   1.730   8.276   2.319
  149   2HD2  LEU  21          2HD2      LEU  21   2.752   7.045   1.589
  150   3HD2  LEU  21          3HD2      LEU  21   1.810   8.125   0.562
  151    H    GLN  22           H        GLN  22   3.409  13.037   0.011
  152    HA   GLN  22           HA       GLN  22   1.610  14.715   1.295
  153   1HB   GLN  22          2HB       GLN  22   3.593  15.376  -0.877
  154   2HB   GLN  22          1HB       GLN  22   2.748  16.571   0.095
  155   1HG   GLN  22          2HG       GLN  22   3.814  15.687   2.100
  156   2HG   GLN  22          1HG       GLN  22   4.655  14.489   1.114
  157   1HE2  GLN  22          1HE2      GLN  22   4.403  17.834   1.943
  158   2HE2  GLN  22          2HE2      GLN  22   5.914  18.314   1.256
  159    H    LYS  23           H        LYS  23   1.964  13.833  -2.062
  160    HA   LYS  23           HA       LYS  23  -0.042  15.488  -3.092
  161   1HB   LYS  23          2HB       LYS  23   1.716  14.392  -4.461
  162   2HB   LYS  23          1HB       LYS  23   0.980  12.835  -4.177
  163   1HG   LYS  23          2HG       LYS  23  -0.391  15.095  -5.669
  164   2HG   LYS  23          1HG       LYS  23   0.574  13.855  -6.454
  165   1HD   LYS  23          2HD       LYS  23  -1.891  13.318  -4.790
  166   2HD   LYS  23          1HD       LYS  23  -1.884  13.445  -6.546
  167   1HE   LYS  23          2HE       LYS  23  -0.275  11.432  -4.960
  168   2HE   LYS  23          1HE       LYS  23  -1.836  11.112  -5.691
  169   1HZ   LYS  23          1HZ       LYS  23   0.609  11.898  -7.237
  170   2HZ   LYS  23          2HZ       LYS  23  -0.913  11.511  -7.850
  171   3HZ   LYS  23          3HZ       LYS  23  -0.023  10.340  -7.093
  172    H    ALA  24           H        ALA  24  -0.196  12.119  -1.849
  173    HA   ALA  24           HA       ALA  24  -2.929  11.764  -2.517
  174   1HB   ALA  24          1HB       ALA  24  -1.392   9.887  -2.109
  175   2HB   ALA  24          2HB       ALA  24  -2.824   9.797  -1.082
  176   3HB   ALA  24          3HB       ALA  24  -1.292  10.355  -0.412
  177    H    ASN  25           H        ASN  25  -1.289  13.012   0.278
  178    HA   ASN  25           HA       ASN  25  -3.495  13.068   2.095
  179   1HB   ASN  25          2HB       ASN  25  -0.960  13.287   2.549
  180   2HB   ASN  25          1HB       ASN  25  -1.146  14.928   2.037
  181   1HD2  ASN  25          1HD2      ASN  25  -0.385  13.886   4.635
  182   2HD2  ASN  25          2HD2      ASN  25  -1.462  14.575   5.790
  183    H    GLU  26           H        GLU  26  -1.849  15.494   0.222
  184    HA   GLU  26           HA       GLU  26  -3.538  17.686   0.802
  185   1HB   GLU  26          2HB       GLU  26  -1.239  17.913  -0.016
  186   2HB   GLU  26          1HB       GLU  26  -1.728  17.270  -1.572
  187   1HG   GLU  26          2HG       GLU  26  -3.191  19.209  -1.896
  188   2HG   GLU  26          1HG       GLU  26  -2.657  19.862  -0.349
  189    H    SER  27           H        SER  27  -3.517  15.459  -1.994
  190    HA   SER  27           HA       SER  27  -5.739  16.843  -3.148
  191   1HB   SER  27          2HB       SER  27  -4.278  14.361  -3.986
  192   2HB   SER  27          1HB       SER  27  -5.454  15.238  -4.969
  193    HG   SER  27           HG       SER  27  -3.280  15.817  -5.453
  194    H    LYS  28           H        LYS  28  -5.604  14.932  -0.601
  195    HA   LYS  28           HA       LYS  28  -6.964  13.560   0.501
  196   1HB   LYS  28          2HB       LYS  28  -8.936  15.031  -1.123
  197   2HB   LYS  28          1HB       LYS  28  -9.400  14.044   0.265
  198   1HG   LYS  28          2HG       LYS  28  -7.972  15.474   1.689
  199   2HG   LYS  28          1HG       LYS  28  -7.612  16.478   0.287
  200   1HD   LYS  28          2HD       LYS  28  -9.991  17.009   0.073
  201   2HD   LYS  28          1HD       LYS  28 -10.328  16.001   1.483
  202   1HE   LYS  28          2HE       LYS  28  -8.923  17.435   2.859
  203   2HE   LYS  28          1HE       LYS  28  -8.567  18.445   1.456
  204   1HZ   LYS  28          1HZ       LYS  28 -10.901  18.993   1.309
  205   2HZ   LYS  28          2HZ       LYS  28 -10.293  19.381   2.856
  206   3HZ   LYS  28          3HZ       LYS  28 -11.239  17.994   2.633
  207    H    THR  29           H        THR  29  -5.805  12.101  -1.224
  208    HA   THR  29           HA       THR  29  -7.834  10.526  -2.605
  209    HB   THR  29           HB       THR  29  -4.891  10.165  -2.636
  210    HG1  THR  29           1HG      THR  29  -6.402  12.199  -3.659
  211   1HG2  THR  29          1HG2      THR  29  -7.043   9.448  -4.636
  212   2HG2  THR  29          2HG2      THR  29  -6.186   8.331  -3.576
  213   3HG2  THR  29          3HG2      THR  29  -5.319   9.159  -4.870
  214    H    LEU  30           H        LEU  30  -8.039   8.440  -2.047
  215    HA   LEU  30           HA       LEU  30  -7.223   7.753   0.626
  216   1HB   LEU  30          2HB       LEU  30  -9.544   7.266  -0.292
  217   2HB   LEU  30          1HB       LEU  30  -8.835   6.076  -1.349
  218    HG   LEU  30           HG       LEU  30  -8.939   5.888   1.683
  219   1HD1  LEU  30          1HD1      LEU  30 -10.616   4.154   1.312
  220   2HD1  LEU  30          2HD1      LEU  30 -10.587   4.505  -0.414
  221   3HD1  LEU  30          3HD1      LEU  30 -11.140   5.732   0.729
  222   1HD2  LEU  30          1HD2      LEU  30  -7.045   4.625   0.716
  223   2HD2  LEU  30          2HD2      LEU  30  -8.176   3.780  -0.344
  224   3HD2  LEU  30          3HD2      LEU  30  -8.273   3.565   1.400
  225    H    VAL  31           H        VAL  31  -5.386   6.407   0.991
  226    HA   VAL  31           HA       VAL  31  -4.230   5.201  -1.375
  227    HB   VAL  31           HB       VAL  31  -3.178   7.341  -1.056
  228   1HG1  VAL  31          1HG1      VAL  31  -2.429   6.429   1.687
  229   2HG1  VAL  31          2HG1      VAL  31  -3.610   7.682   1.296
  230   3HG1  VAL  31          3HG1      VAL  31  -1.897   7.929   0.928
  231   1HG2  VAL  31          1HG2      VAL  31  -1.750   5.560  -1.862
  232   2HG2  VAL  31          2HG2      VAL  31  -1.350   5.111  -0.204
  233   3HG2  VAL  31          3HG2      VAL  31  -0.830   6.669  -0.847
  234    H    VAL  32           H        VAL  32  -3.163   3.317  -1.113
  235    HA   VAL  32           HA       VAL  32  -2.968   2.200   1.594
  236    HB   VAL  32           HB       VAL  32  -3.626   0.743  -0.939
  237   1HG1  VAL  32          1HG1      VAL  32  -2.272  -0.655   0.554
  238   2HG1  VAL  32          2HG1      VAL  32  -3.926  -1.265   0.504
  239   3HG1  VAL  32          3HG1      VAL  32  -3.376  -0.321   1.889
  240   1HG2  VAL  32          1HG2      VAL  32  -5.809   0.260   0.106
  241   2HG2  VAL  32          2HG2      VAL  32  -5.537   1.992  -0.117
  242   3HG2  VAL  32          3HG2      VAL  32  -5.347   1.268   1.477
  243    H    VAL  33           H        VAL  33  -0.997   1.543   2.121
  244    HA   VAL  33           HA       VAL  33   1.012   1.453  -0.032
  245    HB   VAL  33           HB       VAL  33   1.471   2.129   2.880
  246   1HG1  VAL  33          1HG1      VAL  33   3.392   1.048   1.858
  247   2HG1  VAL  33          2HG1      VAL  33   3.731   2.746   2.165
  248   3HG1  VAL  33          3HG1      VAL  33   3.356   2.202   0.527
  249   1HG2  VAL  33          1HG2      VAL  33   1.913   4.417   2.083
  250   2HG2  VAL  33          2HG2      VAL  33   0.254   3.916   1.756
  251   3HG2  VAL  33          3HG2      VAL  33   1.440   3.939   0.454
  252    H    ASP  34           H        ASP  34   2.106  -0.351  -0.324
  253    HA   ASP  34           HA       ASP  34   1.899  -2.526   1.613
  254   1HB   ASP  34          2HB       ASP  34   1.182  -3.204  -0.565
  255   2HB   ASP  34          1HB       ASP  34   2.567  -2.443  -1.329
  256    H    PHE  35           H        PHE  35   3.525  -2.427   3.045
  257    HA   PHE  35           HA       PHE  35   6.194  -1.710   2.174
  258   1HB   PHE  35          2HB       PHE  35   5.073  -2.505   4.868
  259   2HB   PHE  35          1HB       PHE  35   6.714  -1.984   4.553
  260    HD1  PHE  35           1HD      PHE  35   3.267  -0.944   5.059
  261    HD2  PHE  35           2HD      PHE  35   7.184   0.381   4.040
  262    HE1  PHE  35           1HE      PHE  35   2.600   1.375   5.521
  263    HE2  PHE  35           2HE      PHE  35   6.520   2.704   4.500
  264    HZ   PHE  35           HZ       PHE  35   4.227   3.204   5.244
  265    H    THR  36           H        THR  36   7.455  -3.349   1.464
  266    HA   THR  36           HA       THR  36   6.854  -6.050   2.404
  267    HB   THR  36           HB       THR  36   5.510  -5.631   0.352
  268    HG1  THR  36           1HG      THR  36   6.036  -7.449  -0.623
  269   1HG2  THR  36          1HG2      THR  36   6.649  -5.366  -1.793
  270   2HG2  THR  36          2HG2      THR  36   8.196  -5.188  -0.957
  271   3HG2  THR  36          3HG2      THR  36   6.926  -3.980  -0.736
  272    H    ALA  37           H        ALA  37   8.505  -7.542   1.280
  273    HA   ALA  37           HA       ALA  37  11.075  -6.245   0.874
  274   1HB   ALA  37          1HB       ALA  37  12.183  -8.037   2.170
  275   2HB   ALA  37          2HB       ALA  37  10.601  -8.683   2.605
  276   3HB   ALA  37          3HB       ALA  37  11.089  -7.090   3.178
  277    H    SER  38           H        SER  38  12.018  -6.981  -0.847
  278    HA   SER  38           HA       SER  38  10.693  -8.475  -2.783
  279   1HB   SER  38          2HB       SER  38  13.665  -8.063  -2.561
  280   2HB   SER  38          1HB       SER  38  12.757  -8.391  -4.037
  281    HG   SER  38           HG       SER  38  12.355  -6.112  -2.366
  282    H    TRP  39           H        TRP  39  12.632  -9.628  -0.163
  283    HA   TRP  39           HA       TRP  39  13.001 -12.205  -1.436
  284   1HB   TRP  39          2HB       TRP  39  14.526 -12.673   0.566
  285   2HB   TRP  39          1HB       TRP  39  15.038 -11.456  -0.581
  286    HD1  TRP  39           HD       TRP  39  15.687  -9.236   0.351
  287    HE1  TRP  39           1HE      TRP  39  15.558  -8.044   2.634
  288    HE3  TRP  39           3HE      TRP  39  12.784 -12.607   2.837
  289    HZ2  TRP  39           2HZ      TRP  39  14.352  -8.488   5.150
  290    HZ3  TRP  39           3HZ      TRP  39  12.181 -12.150   5.172
  291    HH2  TRP  39           HH       TRP  39  12.954 -10.126   6.303
  292    H    CYS  40           H        CYS  40  10.564 -10.973   0.477
  293    HA   CYS  40           HA       CYS  40  10.403 -13.472   1.915
  294   1HB   CYS  40          2HB       CYS  40   8.464 -12.402   3.211
  295   2HB   CYS  40          1HB       CYS  40  10.077 -11.769   3.494
  296    H    GLY  41           H        GLY  41   9.066 -15.029   1.685
  297   1HA   GLY  41          2HA       GLY  41   7.930 -15.526  -0.810
  298   2HA   GLY  41          1HA       GLY  41   7.646 -16.474   0.636
  299    HA   PRO  42           HA       PRO  42   3.416 -15.124   1.097
  300   1HB   PRO  42          2HB       PRO  42   3.418 -13.349   3.268
  301   2HB   PRO  42          1HB       PRO  42   3.227 -15.101   3.373
  302   1HG   PRO  42          2HG       PRO  42   5.680 -13.440   3.758
  303   2HG   PRO  42          1HG       PRO  42   5.156 -14.887   4.634
  304   1HD   PRO  42          2HD       PRO  42   7.084 -15.027   2.806
  305   2HD   PRO  42          1HD       PRO  42   5.867 -16.319   2.931
  306    H    CYS  43           H        CYS  43   5.792 -12.591   1.266
  307    HA   CYS  43           HA       CYS  43   4.087 -10.378   0.651
  308   1HB   CYS  43          2HB       CYS  43   7.034 -10.631   0.118
  309   2HB   CYS  43          1HB       CYS  43   6.120  -9.164   0.440
  310    H    ARG  44           H        ARG  44   6.155 -12.554  -1.144
  311    HA   ARG  44           HA       ARG  44   5.911 -11.274  -3.664
  312   1HB   ARG  44          2HB       ARG  44   7.810 -12.665  -2.975
  313   2HB   ARG  44          1HB       ARG  44   6.752 -14.051  -2.867
  314   1HG   ARG  44          2HG       ARG  44   6.399 -14.013  -5.253
  315   2HG   ARG  44          1HG       ARG  44   7.382 -12.552  -5.402
  316   1HD   ARG  44          2HD       ARG  44   8.304 -15.232  -4.380
  317   2HD   ARG  44          1HD       ARG  44   8.703 -14.514  -5.946
  318    HE   ARG  44           HE       ARG  44   9.551 -12.635  -4.287
  319   1HH1  ARG  44          1HH1      ARG  44  10.086 -16.129  -4.196
  320   2HH1  ARG  44          2HH1      ARG  44  11.632 -16.031  -3.482
  321   1HH2  ARG  44          1HH2      ARG  44  11.708 -12.518  -3.256
  322   2HH2  ARG  44          2HH2      ARG  44  12.557 -13.974  -2.954
  323    H    PHE  45           H        PHE  45   4.328 -13.898  -1.996
  324    HA   PHE  45           HA       PHE  45   2.751 -14.828  -4.162
  325   1HB   PHE  45          2HB       PHE  45   3.282 -16.206  -2.194
  326   2HB   PHE  45          1HB       PHE  45   2.347 -15.123  -1.174
  327    HD1  PHE  45           1HD      PHE  45   2.161 -17.669  -3.825
  328    HD2  PHE  45           2HD      PHE  45  -0.034 -15.294  -1.059
  329    HE1  PHE  45           1HE      PHE  45   0.165 -19.047  -4.229
  330    HE2  PHE  45           2HE      PHE  45  -2.034 -16.668  -1.460
  331    HZ   PHE  45           HZ       PHE  45  -1.934 -18.549  -3.046
  332    H    ILE  46           H        ILE  46   2.308 -12.314  -1.751
  333    HA   ILE  46           HA       ILE  46  -0.505 -12.023  -2.384
  334    HB   ILE  46           HB       ILE  46   0.455 -11.739  -0.040
  335   1HG1  ILE  46          2HG1      ILE  46  -0.952  -9.752   0.539
  336   2HG1  ILE  46          1HG1      ILE  46  -1.171  -9.466  -1.189
  337   1HG2  ILE  46          1HG2      ILE  46   1.408  -9.086  -1.102
  338   2HG2  ILE  46          2HG2      ILE  46   2.418 -10.452  -0.654
  339   3HG2  ILE  46          3HG2      ILE  46   1.475  -9.628   0.584
  340   1HD1  ILE  46          1HD1      ILE  46  -1.972 -11.910   0.329
  341   2HD1  ILE  46          2HD1      ILE  46  -2.260 -11.630  -1.398
  342   3HD1  ILE  46          3HD1      ILE  46  -3.062 -10.623  -0.184
  343    H    ALA  47           H        ALA  47   2.391 -10.923  -3.665
  344    HA   ALA  47           HA       ALA  47   1.869  -8.258  -4.284
  345   1HB   ALA  47          1HB       ALA  47   3.659  -8.359  -5.890
  346   2HB   ALA  47          2HB       ALA  47   3.574 -10.112  -5.955
  347   3HB   ALA  47          3HB       ALA  47   4.100  -9.313  -4.478
  348    HA   PRO  48           HA       PRO  48  -0.008  -9.617  -8.606
  349   1HB   PRO  48          2HB       PRO  48  -1.050 -12.296  -7.884
  350   2HB   PRO  48          1HB       PRO  48  -0.302 -11.759  -9.390
  351   1HG   PRO  48          2HG       PRO  48   1.039 -13.336  -7.754
  352   2HG   PRO  48          1HG       PRO  48   1.859 -11.963  -8.526
  353   1HD   PRO  48          2HD       PRO  48   0.755 -12.185  -5.752
  354   2HD   PRO  48          1HD       PRO  48   2.334 -11.568  -6.277
  355    H    PHE  49           H        PHE  49  -1.139 -10.491  -5.523
  356    HA   PHE  49           HA       PHE  49  -3.951 -10.237  -6.123
  357   1HB   PHE  49          2HB       PHE  49  -2.965 -11.706  -4.284
  358   2HB   PHE  49          1HB       PHE  49  -2.665 -10.228  -3.387
  359    HD1  PHE  49           1HD      PHE  49  -4.508  -9.069  -2.240
  360    HD2  PHE  49           2HD      PHE  49  -5.203 -12.440  -4.749
  361    HE1  PHE  49           1HE      PHE  49  -6.782  -9.260  -1.365
  362    HE2  PHE  49           2HE      PHE  49  -7.485 -12.619  -3.871
  363    HZ   PHE  49           HZ       PHE  49  -8.269 -11.030  -2.183
  364    H    PHE  50           H        PHE  50  -1.487  -8.339  -4.417
  365    HA   PHE  50           HA       PHE  50  -3.124  -6.083  -3.815
  366   1HB   PHE  50          2HB       PHE  50  -0.916  -6.621  -2.740
  367   2HB   PHE  50          1HB       PHE  50  -0.121  -6.207  -4.248
  368    HD1  PHE  50           1HD      PHE  50   0.424  -3.960  -4.740
  369    HD2  PHE  50           2HD      PHE  50  -2.163  -4.857  -1.488
  370    HE1  PHE  50           1HE      PHE  50   0.582  -1.630  -3.971
  371    HE2  PHE  50           2HE      PHE  50  -2.009  -2.527  -0.715
  372    HZ   PHE  50           HZ       PHE  50  -0.632  -0.911  -1.957
  373    H    ALA  51           H        ALA  51  -1.240  -6.962  -6.622
  374    HA   ALA  51           HA       ALA  51  -1.550  -4.517  -8.026
  375   1HB   ALA  51          1HB       ALA  51  -0.934  -5.798 -10.027
  376   2HB   ALA  51          2HB       ALA  51  -1.182  -7.304  -9.144
  377   3HB   ALA  51          3HB       ALA  51   0.117  -6.211  -8.669
  378    H    ASP  52           H        ASP  52  -3.557  -7.322  -7.628
  379    HA   ASP  52           HA       ASP  52  -5.503  -6.831  -9.655
  380   1HB   ASP  52          2HB       ASP  52  -5.177  -8.988  -8.387
  381   2HB   ASP  52          1HB       ASP  52  -5.834  -8.200  -6.992
  382    H    LEU  53           H        LEU  53  -5.386  -6.179  -6.206
  383    HA   LEU  53           HA       LEU  53  -7.621  -4.633  -5.875
  384   1HB   LEU  53          2HB       LEU  53  -4.970  -4.879  -4.654
  385   2HB   LEU  53          1HB       LEU  53  -5.859  -3.492  -4.156
  386    HG   LEU  53           HG       LEU  53  -7.638  -5.049  -3.371
  387   1HD1  LEU  53          1HD1      LEU  53  -7.199  -6.951  -4.788
  388   2HD1  LEU  53          2HD1      LEU  53  -7.118  -7.411  -3.088
  389   3HD1  LEU  53          3HD1      LEU  53  -5.634  -7.187  -4.014
  390   1HD2  LEU  53          1HD2      LEU  53  -6.029  -4.147  -1.827
  391   2HD2  LEU  53          2HD2      LEU  53  -4.881  -5.417  -2.238
  392   3HD2  LEU  53          3HD2      LEU  53  -6.370  -5.822  -1.393
  393    H    ALA  54           H        ALA  54  -4.403  -3.606  -6.891
  394    HA   ALA  54           HA       ALA  54  -5.015  -0.876  -7.067
  395   1HB   ALA  54          1HB       ALA  54  -2.726  -1.747  -7.000
  396   2HB   ALA  54          2HB       ALA  54  -2.975  -0.663  -8.369
  397   3HB   ALA  54          3HB       ALA  54  -2.936  -2.407  -8.620
  398    H    LYS  55           H        LYS  55  -5.476  -3.489  -9.345
  399    HA   LYS  55           HA       LYS  55  -6.117  -1.693 -11.480
  400   1HB   LYS  55          2HB       LYS  55  -5.092  -3.893 -11.908
  401   2HB   LYS  55          1HB       LYS  55  -6.534  -4.672 -11.284
  402   1HG   LYS  55          2HG       LYS  55  -7.853  -3.743 -13.101
  403   2HG   LYS  55          1HG       LYS  55  -6.430  -2.896 -13.714
  404   1HD   LYS  55          2HD       LYS  55  -5.307  -5.039 -14.048
  405   2HD   LYS  55          1HD       LYS  55  -6.735  -5.878 -13.447
  406   1HE   LYS  55          2HE       LYS  55  -8.045  -4.951 -15.295
  407   2HE   LYS  55          1HE       LYS  55  -6.611  -4.124 -15.896
  408   1HZ   LYS  55          1HZ       LYS  55  -6.929  -7.064 -15.643
  409   2HZ   LYS  55          2HZ       LYS  55  -5.556  -6.278 -16.232
  410   3HZ   LYS  55          3HZ       LYS  55  -7.016  -6.185 -17.082
  411    H    LYS  56           H        LYS  56  -7.876  -3.447  -9.048
  412    HA   LYS  56           HA       LYS  56 -10.419  -3.084 -10.377
  413   1HB   LYS  56          2HB       LYS  56  -9.500  -4.947  -8.695
  414   2HB   LYS  56          1HB       LYS  56 -10.164  -3.875  -7.500
  415   1HG   LYS  56          2HG       LYS  56 -11.690  -5.270  -9.715
  416   2HG   LYS  56          1HG       LYS  56 -11.671  -5.742  -8.036
  417   1HD   LYS  56          2HD       LYS  56 -13.732  -4.680  -8.277
  418   2HD   LYS  56          1HD       LYS  56 -12.724  -3.391  -7.635
  419   1HE   LYS  56          2HE       LYS  56 -14.145  -2.614  -9.464
  420   2HE   LYS  56          1HE       LYS  56 -12.439  -2.482  -9.891
  421   1HZ   LYS  56          1HZ       LYS  56 -13.777  -3.358 -11.704
  422   2HZ   LYS  56          2HZ       LYS  56 -14.309  -4.623 -10.753
  423   3HZ   LYS  56          3HZ       LYS  56 -12.688  -4.533 -11.196
  424    H    LEU  57           H        LEU  57  -8.581  -1.589  -7.677
  425    HA   LEU  57           HA       LEU  57 -10.753   0.289  -7.289
  426   1HB   LEU  57          2HB       LEU  57  -8.359  -0.426  -5.604
  427   2HB   LEU  57          1HB       LEU  57  -9.362   0.961  -5.277
  428    HG   LEU  57           HG       LEU  57 -11.291  -0.589  -4.871
  429   1HD1  LEU  57          1HD1      LEU  57 -10.637  -2.470  -6.196
  430   2HD1  LEU  57          2HD1      LEU  57 -10.885  -2.970  -4.521
  431   3HD1  LEU  57          3HD1      LEU  57  -9.247  -2.777  -5.155
  432   1HD2  LEU  57          1HD2      LEU  57  -8.843  -1.094  -3.196
  433   2HD2  LEU  57          2HD2      LEU  57 -10.502  -1.442  -2.718
  434   3HD2  LEU  57          3HD2      LEU  57 -10.001   0.224  -3.006
  435    HA   PRO  58           HA       PRO  58  -7.890   2.966  -9.551
  436   1HB   PRO  58          2HB       PRO  58  -9.724   4.368 -10.906
  437   2HB   PRO  58          1HB       PRO  58  -9.318   2.714 -11.371
  438   1HG   PRO  58          2HG       PRO  58 -11.706   3.741  -9.938
  439   2HG   PRO  58          1HG       PRO  58 -11.577   2.405 -11.091
  440   1HD   PRO  58          2HD       PRO  58 -11.652   2.180  -8.285
  441   2HD   PRO  58          1HD       PRO  58 -11.190   0.906  -9.426
  442    H    ASN  59           H        ASN  59 -10.452   3.586  -7.393
  443    HA   ASN  59           HA       ASN  59 -10.122   6.443  -7.153
  444   1HB   ASN  59          2HB       ASN  59 -12.286   5.256  -6.749
  445   2HB   ASN  59          1HB       ASN  59 -11.539   4.496  -5.353
  446   1HD2  ASN  59          1HD2      ASN  59 -13.015   5.368  -3.921
  447   2HD2  ASN  59          2HD2      ASN  59 -13.034   7.042  -3.525
  448    H    VAL  60           H        VAL  60  -8.763   3.616  -5.830
  449    HA   VAL  60           HA       VAL  60  -7.579   5.044  -3.584
  450    HB   VAL  60           HB       VAL  60  -7.656   2.068  -4.170
  451   1HG1  VAL  60          1HG1      VAL  60  -6.682   3.548  -1.731
  452   2HG1  VAL  60          2HG1      VAL  60  -5.690   2.653  -2.880
  453   3HG1  VAL  60          3HG1      VAL  60  -6.858   1.799  -1.867
  454   1HG2  VAL  60          1HG2      VAL  60  -9.234   1.975  -2.276
  455   2HG2  VAL  60          2HG2      VAL  60  -9.857   2.904  -3.639
  456   3HG2  VAL  60          3HG2      VAL  60  -9.235   3.739  -2.218
  457    H    LEU  61           H        LEU  61  -5.478   5.401  -3.479
  458    HA   LEU  61           HA       LEU  61  -3.841   4.834  -5.853
  459   1HB   LEU  61          2HB       LEU  61  -4.215   7.156  -4.743
  460   2HB   LEU  61          1HB       LEU  61  -3.192   6.567  -3.462
  461    HG   LEU  61           HG       LEU  61  -2.387   7.048  -6.334
  462   1HD1  LEU  61          1HD1      LEU  61  -1.727   8.514  -3.806
  463   2HD1  LEU  61          2HD1      LEU  61  -2.763   9.078  -5.118
  464   3HD1  LEU  61          3HD1      LEU  61  -1.034   8.851  -5.391
  465   1HD2  LEU  61          1HD2      LEU  61  -0.082   6.656  -5.591
  466   2HD2  LEU  61          2HD2      LEU  61  -1.078   5.215  -5.389
  467   3HD2  LEU  61          3HD2      LEU  61  -0.687   6.220  -3.994
  468    H    PHE  62           H        PHE  62  -2.044   3.434  -5.645
  469    HA   PHE  62           HA       PHE  62  -1.612   2.299  -2.960
  470   1HB   PHE  62          2HB       PHE  62  -1.412   0.834  -5.573
  471   2HB   PHE  62          1HB       PHE  62  -1.096   0.167  -4.001
  472    HD1  PHE  62           1HD      PHE  62  -2.830  -0.585  -2.564
  473    HD2  PHE  62           2HD      PHE  62  -3.804   1.412  -6.187
  474    HE1  PHE  62           1HE      PHE  62  -5.175  -1.279  -2.311
  475    HE2  PHE  62           2HE      PHE  62  -6.152   0.720  -5.938
  476    HZ   PHE  62           HZ       PHE  62  -6.837  -0.631  -3.996
  477    H    LEU  63           H        LEU  63   0.429   1.894  -2.343
  478    HA   LEU  63           HA       LEU  63   2.622   2.495  -4.188
  479   1HB   LEU  63          2HB       LEU  63   2.453   3.342  -1.297
  480   2HB   LEU  63          1HB       LEU  63   3.945   3.284  -2.190
  481    HG   LEU  63           HG       LEU  63   2.883   4.980  -3.770
  482   1HD1  LEU  63          1HD1      LEU  63   0.949   5.247  -1.505
  483   2HD1  LEU  63          2HD1      LEU  63   0.601   4.684  -3.139
  484   3HD1  LEU  63          3HD1      LEU  63   1.110   6.356  -2.867
  485   1HD2  LEU  63          1HD2      LEU  63   4.608   5.601  -2.199
  486   2HD2  LEU  63          2HD2      LEU  63   3.402   5.797  -0.921
  487   3HD2  LEU  63          3HD2      LEU  63   3.395   6.875  -2.315
  488    H    LYS  64           H        LYS  64   4.566   1.427  -3.776
  489    HA   LYS  64           HA       LYS  64   4.481  -0.988  -2.021
  490   1HB   LYS  64          2HB       LYS  64   3.973  -1.336  -4.519
  491   2HB   LYS  64          1HB       LYS  64   5.673  -0.918  -4.742
  492   1HG   LYS  64          2HG       LYS  64   6.324  -2.614  -3.213
  493   2HG   LYS  64          1HG       LYS  64   4.638  -3.024  -2.916
  494   1HD   LYS  64          2HD       LYS  64   4.411  -3.560  -5.295
  495   2HD   LYS  64          1HD       LYS  64   6.160  -3.309  -5.472
  496   1HE   LYS  64          2HE       LYS  64   5.981  -5.634  -5.015
  497   2HE   LYS  64          1HE       LYS  64   6.388  -4.666  -3.551
  498   1HZ   LYS  64          1HZ       LYS  64   3.611  -5.514  -4.051
  499   2HZ   LYS  64          2HZ       LYS  64   4.299  -4.920  -2.622
  500   3HZ   LYS  64          3HZ       LYS  64   4.689  -6.442  -3.154
  501    H    VAL  65           H        VAL  65   6.104  -0.946  -0.701
  502    HA   VAL  65           HA       VAL  65   8.558   0.439  -1.557
  503    HB   VAL  65           HB       VAL  65   7.341   0.605   1.217
  504   1HG1  VAL  65          1HG1      VAL  65   9.120   2.225   1.689
  505   2HG1  VAL  65          2HG1      VAL  65   9.800   1.929   0.089
  506   3HG1  VAL  65          3HG1      VAL  65   9.768   0.634   1.286
  507   1HG2  VAL  65          1HG2      VAL  65   7.004   2.997   0.734
  508   2HG2  VAL  65          2HG2      VAL  65   6.078   1.964  -0.360
  509   3HG2  VAL  65          3HG2      VAL  65   7.567   2.727  -0.916
  510    H    ASP  66           H        ASP  66  10.157  -0.985  -1.588
  511    HA   ASP  66           HA       ASP  66  10.156  -3.371   0.005
  512   1HB   ASP  66          2HB       ASP  66  11.202  -3.332  -2.252
  513   2HB   ASP  66          1HB       ASP  66  12.320  -2.120  -1.638
  514    H    THR  67           H        THR  67  10.477  -3.219   2.101
  515    HA   THR  67           HA       THR  67  11.694  -0.956   3.319
  516    HB   THR  67           HB       THR  67  11.324  -2.283   5.439
  517    HG1  THR  67           1HG      THR  67  10.341  -4.261   5.262
  518   1HG2  THR  67          1HG2      THR  67   9.633  -0.724   4.556
  519   2HG2  THR  67          2HG2      THR  67   8.888  -2.127   5.319
  520   3HG2  THR  67          3HG2      THR  67   8.968  -2.021   3.560
  521    H    ASP  68           H        ASP  68  12.867  -3.845   2.134
  522    HA   ASP  68           HA       ASP  68  15.200  -4.165   3.769
  523   1HB   ASP  68          2HB       ASP  68  14.214  -5.951   2.397
  524   2HB   ASP  68          1HB       ASP  68  14.571  -5.034   0.960
  525    H    GLU  69           H        GLU  69  14.334  -2.554   0.880
  526    HA   GLU  69           HA       GLU  69  16.897  -1.377   0.273
  527   1HB   GLU  69          2HB       GLU  69  14.864  -1.759  -1.283
  528   2HB   GLU  69          1HB       GLU  69  14.183  -0.386  -0.517
  529   1HG   GLU  69          2HG       GLU  69  15.173   0.383  -2.542
  530   2HG   GLU  69          1HG       GLU  69  16.111   1.005  -1.186
  531    H    LEU  70           H        LEU  70  13.778   0.082   1.136
  532    HA   LEU  70           HA       LEU  70  15.041   2.360   2.247
  533   1HB   LEU  70          2HB       LEU  70  12.174   1.529   1.938
  534   2HB   LEU  70          1HB       LEU  70  12.682   2.997   2.715
  535    HG   LEU  70           HG       LEU  70  11.908   3.550   0.537
  536   1HD1  LEU  70          1HD1      LEU  70  13.820   4.572  -0.534
  537   2HD1  LEU  70          2HD1      LEU  70  14.895   3.644   0.513
  538   3HD1  LEU  70          3HD1      LEU  70  13.783   4.827   1.210
  539   1HD2  LEU  70          1HD2      LEU  70  13.836   1.539  -0.598
  540   2HD2  LEU  70          2HD2      LEU  70  12.796   2.609  -1.536
  541   3HD2  LEU  70          3HD2      LEU  70  12.086   1.347  -0.525
  542    H    LYS  71           H        LYS  71  16.135   1.090   3.914
  543    HA   LYS  71           HA       LYS  71  14.656  -0.155   5.995
  544   1HB   LYS  71          2HB       LYS  71  17.527   0.738   5.927
  545   2HB   LYS  71          1HB       LYS  71  16.804  -0.159   7.252
  546   1HG   LYS  71          2HG       LYS  71  16.314  -2.013   5.747
  547   2HG   LYS  71          1HG       LYS  71  17.018  -1.110   4.406
  548   1HD   LYS  71          2HD       LYS  71  19.155  -1.064   5.551
  549   2HD   LYS  71          1HD       LYS  71  18.453  -1.939   6.914
  550   1HE   LYS  71          2HE       LYS  71  18.030  -3.862   5.505
  551   2HE   LYS  71          1HE       LYS  71  18.613  -2.993   4.090
  552   1HZ   LYS  71          1HZ       LYS  71  20.225  -3.737   6.468
  553   2HZ   LYS  71          2HZ       LYS  71  20.788  -2.850   5.154
  554   3HZ   LYS  71          3HZ       LYS  71  20.317  -4.453   4.937
  555    H    SER  72           H        SER  72  15.869   3.077   5.540
  556    HA   SER  72           HA       SER  72  15.484   3.919   8.211
  557   1HB   SER  72          2HB       SER  72  16.865   5.143   6.452
  558   2HB   SER  72          1HB       SER  72  15.327   5.613   5.742
  559    HG   SER  72           HG       SER  72  14.857   6.872   7.453
  560    H    VAL  73           H        VAL  73  13.458   3.983   5.317
  561    HA   VAL  73           HA       VAL  73  11.201   5.227   6.470
  562    HB   VAL  73           HB       VAL  73  11.316   3.241   4.172
  563   1HG1  VAL  73          1HG1      VAL  73   9.059   3.369   5.082
  564   2HG1  VAL  73          2HG1      VAL  73   9.138   4.133   3.495
  565   3HG1  VAL  73          3HG1      VAL  73   9.089   5.128   4.950
  566   1HG2  VAL  73          1HG2      VAL  73  11.207   5.220   2.734
  567   2HG2  VAL  73          2HG2      VAL  73  12.632   5.270   3.779
  568   3HG2  VAL  73          3HG2      VAL  73  11.225   6.256   4.159
  569    H    ALA  74           H        ALA  74  12.219   1.880   6.278
  570    HA   ALA  74           HA       ALA  74   9.940   0.660   7.306
  571   1HB   ALA  74          1HB       ALA  74  11.811  -0.542   6.277
  572   2HB   ALA  74          2HB       ALA  74  11.356  -1.221   7.843
  573   3HB   ALA  74          3HB       ALA  74  12.796  -0.213   7.701
  574    H    SER  75           H        SER  75  12.756   1.991   9.026
  575    HA   SER  75           HA       SER  75  11.670   1.281  11.572
  576   1HB   SER  75          2HB       SER  75  14.107   1.511  11.190
  577   2HB   SER  75          1HB       SER  75  13.889   3.234  10.902
  578    HG   SER  75           HG       SER  75  13.634   1.758  13.272
  579    H    ASP  76           H        ASP  76  11.653   4.129   9.543
  580    HA   ASP  76           HA       ASP  76  10.745   6.027  11.404
  581   1HB   ASP  76          2HB       ASP  76  11.796   6.580   9.233
  582   2HB   ASP  76          1HB       ASP  76  10.381   5.965   8.401
  583    H    TRP  77           H        TRP  77   8.967   3.811   9.312
  584    HA   TRP  77           HA       TRP  77   6.502   4.837  10.397
  585   1HB   TRP  77          2HB       TRP  77   7.072   3.111   8.046
  586   2HB   TRP  77          1HB       TRP  77   5.422   3.310   8.644
  587    HD1  TRP  77           HD       TRP  77   8.335   5.477   7.282
  588    HE1  TRP  77           1HE      TRP  77   7.330   7.544   6.156
  589    HE3  TRP  77           3HE      TRP  77   3.415   4.656   8.351
  590    HZ2  TRP  77           2HZ      TRP  77   4.774   8.676   5.740
  591    HZ3  TRP  77           3HZ      TRP  77   1.749   6.273   7.541
  592    HH2  TRP  77           HH       TRP  77   2.413   8.238   6.269
  593    H    ALA  78           H        ALA  78   8.624   2.601  11.243
  594    HA   ALA  78           HA       ALA  78   8.730   0.820  12.551
  595   1HB   ALA  78          1HB       ALA  78   5.875   1.393  13.360
  596   2HB   ALA  78          2HB       ALA  78   7.297   2.148  14.076
  597   3HB   ALA  78          3HB       ALA  78   7.039   0.409  14.245
  598    H    ILE  79           H        ILE  79   8.909  -0.285  10.540
  599    HA   ILE  79           HA       ILE  79   6.815  -2.325  10.269
  600    HB   ILE  79           HB       ILE  79   8.705  -1.363   8.096
  601   1HG1  ILE  79          2HG1      ILE  79   7.021   0.367   8.580
  602   2HG1  ILE  79          1HG1      ILE  79   6.746  -0.351   7.001
  603   1HG2  ILE  79          1HG2      ILE  79   8.113  -3.695   7.823
  604   2HG2  ILE  79          2HG2      ILE  79   7.307  -2.732   6.581
  605   3HG2  ILE  79          3HG2      ILE  79   6.400  -3.305   7.976
  606   1HD1  ILE  79          1HD1      ILE  79   4.936  -1.702   7.954
  607   2HD1  ILE  79          2HD1      ILE  79   4.657   0.024   8.182
  608   3HD1  ILE  79          3HD1      ILE  79   5.221  -0.964   9.529
  609    H    GLN  80           H        GLN  80   7.751  -3.787  11.641
  610    HA   GLN  80           HA       GLN  80  10.522  -4.540  11.212
  611   1HB   GLN  80          2HB       GLN  80   8.531  -5.314  13.338
  612   2HB   GLN  80          1HB       GLN  80  10.102  -6.061  13.182
  613   1HG   GLN  80          2HG       GLN  80  10.142  -4.434  14.954
  614   2HG   GLN  80          1HG       GLN  80  11.151  -3.867  13.634
  615   1HE2  GLN  80          1HE2      GLN  80   8.220  -3.394  15.409
  616   2HE2  GLN  80          2HE2      GLN  80   7.893  -1.803  14.858
  617    H    ALA  81           H        ALA  81   7.270  -5.694  10.666
  618    HA   ALA  81           HA       ALA  81   8.420  -8.194   9.685
  619   1HB   ALA  81          1HB       ALA  81   7.094  -8.564  11.702
  620   2HB   ALA  81          2HB       ALA  81   6.370  -9.342  10.295
  621   3HB   ALA  81          3HB       ALA  81   5.697  -7.834  10.913
  622    H    MET  82           H        MET  82   8.273  -8.402   7.599
  623    HA   MET  82           HA       MET  82   6.358  -6.818   6.144
  624   1HB   MET  82          2HB       MET  82   8.750  -8.352   5.274
  625   2HB   MET  82          1HB       MET  82   7.583  -7.694   4.135
  626   1HG   MET  82          2HG       MET  82   9.174  -6.091   4.273
  627   2HG   MET  82          1HG       MET  82   7.882  -5.502   5.247
  628   1HE   MET  82          1HE       MET  82  11.517  -7.039   5.360
  629   2HE   MET  82          2HE       MET  82  10.588  -8.228   6.270
  630   3HE   MET  82          3HE       MET  82  11.779  -7.223   7.091
  631    HA   PRO  83           HA       PRO  83   5.473  -6.753   4.283
  632   1HB   PRO  83          2HB       PRO  83   3.243  -6.978   2.853
  633   2HB   PRO  83          1HB       PRO  83   4.718  -7.813   2.358
  634   1HG   PRO  83          2HG       PRO  83   2.270  -8.903   3.637
  635   2HG   PRO  83          1HG       PRO  83   3.366  -9.672   2.480
  636   1HD   PRO  83          2HD       PRO  83   3.354  -9.997   5.300
  637   2HD   PRO  83          1HD       PRO  83   4.577 -10.599   4.167
  638    H    THR  84           H        THR  84   4.198  -4.907   4.671
  639    HA   THR  84           HA       THR  84   1.990  -5.285   6.567
  640    HB   THR  84           HB       THR  84   3.831  -2.989   6.434
  641    HG1  THR  84           1HG      THR  84   4.340  -5.362   7.450
  642   1HG2  THR  84          1HG2      THR  84   2.844  -2.379   8.646
  643   2HG2  THR  84          2HG2      THR  84   1.757  -3.756   8.492
  644   3HG2  THR  84          3HG2      THR  84   1.649  -2.420   7.346
  645    H    PHE  85           H        PHE  85   0.106  -4.513   5.809
  646    HA   PHE  85           HA       PHE  85   0.174  -2.746   3.504
  647   1HB   PHE  85          2HB       PHE  85  -1.955  -4.516   4.689
  648   2HB   PHE  85          1HB       PHE  85  -2.164  -3.477   3.293
  649    HD1  PHE  85           1HD      PHE  85  -1.143  -4.055   1.164
  650    HD2  PHE  85           2HD      PHE  85  -0.720  -6.575   4.565
  651    HE1  PHE  85           1HE      PHE  85  -0.374  -5.877  -0.285
  652    HE2  PHE  85           2HE      PHE  85   0.056  -8.403   3.113
  653    HZ   PHE  85           HZ       PHE  85   0.226  -8.039   0.678
  654    H    MET  86           H        MET  86  -0.258  -0.707   3.963
  655    HA   MET  86           HA       MET  86  -1.793  -0.188   6.409
  656   1HB   MET  86          2HB       MET  86   0.478   0.661   6.539
  657   2HB   MET  86          1HB       MET  86   0.225   1.588   5.059
  658   1HG   MET  86          2HG       MET  86  -1.449   2.946   6.172
  659   2HG   MET  86          1HG       MET  86  -1.278   1.992   7.638
  660   1HE   MET  86          1HE       MET  86   2.365   2.882   8.790
  661   2HE   MET  86          2HE       MET  86   1.922   1.544   7.738
  662   3HE   MET  86          3HE       MET  86   0.911   1.941   9.129
  663    H    PHE  87           H        PHE  87  -3.728   0.585   6.167
  664    HA   PHE  87           HA       PHE  87  -4.512   1.629   3.613
  665   1HB   PHE  87          2HB       PHE  87  -5.950   0.437   5.958
  666   2HB   PHE  87          1HB       PHE  87  -6.734   1.138   4.563
  667    HD1  PHE  87           1HD      PHE  87  -4.548  -1.623   5.704
  668    HD2  PHE  87           2HD      PHE  87  -7.012  -0.121   2.578
  669    HE1  PHE  87           1HE      PHE  87  -4.454  -3.806   4.587
  670    HE2  PHE  87           2HE      PHE  87  -6.918  -2.301   1.454
  671    HZ   PHE  87           HZ       PHE  87  -5.642  -4.144   2.454
  672    H    LEU  88           H        LEU  88  -4.599   3.794   3.604
  673    HA   LEU  88           HA       LEU  88  -5.686   4.973   5.955
  674   1HB   LEU  88          2HB       LEU  88  -4.190   6.975   5.755
  675   2HB   LEU  88          1HB       LEU  88  -3.366   5.496   6.176
  676    HG   LEU  88           HG       LEU  88  -3.328   6.617   3.387
  677   1HD1  LEU  88          1HD1      LEU  88  -1.134   7.561   3.998
  678   2HD1  LEU  88          2HD1      LEU  88  -1.376   7.041   5.663
  679   3HD1  LEU  88          3HD1      LEU  88  -2.422   8.278   4.964
  680   1HD2  LEU  88          1HD2      LEU  88  -1.294   5.253   3.203
  681   2HD2  LEU  88          2HD2      LEU  88  -2.678   4.248   3.636
  682   3HD2  LEU  88          3HD2      LEU  88  -1.500   4.712   4.866
  683    H    LYS  89           H        LYS  89  -6.579   7.201   5.437
  684    HA   LYS  89           HA       LYS  89  -7.606   7.157   2.701
  685   1HB   LYS  89          2HB       LYS  89  -9.205   6.040   4.115
  686   2HB   LYS  89          1HB       LYS  89  -9.177   7.382   5.243
  687   1HG   LYS  89          2HG       LYS  89 -10.283   8.802   3.635
  688   2HG   LYS  89          1HG       LYS  89 -10.202   7.535   2.405
  689   1HD   LYS  89          2HD       LYS  89 -11.580   6.076   3.826
  690   2HD   LYS  89          1HD       LYS  89 -11.666   7.346   5.040
  691   1HE   LYS  89          2HE       LYS  89 -12.700   7.598   2.220
  692   2HE   LYS  89          1HE       LYS  89 -13.682   7.131   3.602
  693   1HZ   LYS  89          1HZ       LYS  89 -12.287   9.761   3.275
  694   2HZ   LYS  89          2HZ       LYS  89 -13.195   9.298   4.607
  695   3HZ   LYS  89          3HZ       LYS  89 -13.932   9.470   3.115
  696    H    GLU  90           H        GLU  90  -7.064   8.929   1.816
  697    HA   GLU  90           HA       GLU  90  -6.825  10.958   1.306
  698   1HB   GLU  90          2HB       GLU  90  -8.751  11.395   3.543
  699   2HB   GLU  90          1HB       GLU  90  -8.378  12.634   2.341
  700   1HG   GLU  90          2HG       GLU  90  -9.219  11.228   0.570
  701   2HG   GLU  90          1HG       GLU  90  -9.468   9.901   1.697
  702    H    GLY  91           H        GLY  91  -4.957   9.863   3.124
  703   1HA   GLY  91          2HA       GLY  91  -2.959  10.764   3.973
  704   2HA   GLY  91          1HA       GLY  91  -3.793  12.279   4.268
  705    H    LYS  92           H        LYS  92  -5.912  10.226   5.593
  706    HA   LYS  92           HA       LYS  92  -4.558  10.313   8.207
  707   1HB   LYS  92          2HB       LYS  92  -6.734  11.527   7.985
  708   2HB   LYS  92          1HB       LYS  92  -7.490  10.011   7.538
  709   1HG   LYS  92          2HG       LYS  92  -7.967  10.530   9.856
  710   2HG   LYS  92          1HG       LYS  92  -6.969   9.081   9.747
  711   1HD   LYS  92          2HD       LYS  92  -6.199  10.540  11.549
  712   2HD   LYS  92          1HD       LYS  92  -4.977  10.426  10.284
  713   1HE   LYS  92          2HE       LYS  92  -5.754  12.576   9.372
  714   2HE   LYS  92          1HE       LYS  92  -6.949  12.675  10.662
  715   1HZ   LYS  92          1HZ       LYS  92  -5.023  13.982  11.153
  716   2HZ   LYS  92          2HZ       LYS  92  -4.001  12.653  10.996
  717   3HZ   LYS  92          3HZ       LYS  92  -5.111  12.718  12.258
  718    H    ILE  93           H        ILE  93  -4.087   8.385   9.201
  719    HA   ILE  93           HA       ILE  93  -4.443   5.997   7.673
  720    HB   ILE  93           HB       ILE  93  -3.277   6.324  10.457
  721   1HG1  ILE  93          2HG1      ILE  93  -1.923   6.030   7.766
  722   2HG1  ILE  93          1HG1      ILE  93  -2.035   7.526   8.681
  723   1HG2  ILE  93          1HG2      ILE  93  -4.048   4.025  10.090
  724   2HG2  ILE  93          2HG2      ILE  93  -2.287   4.096  10.118
  725   3HG2  ILE  93          3HG2      ILE  93  -3.138   3.954   8.580
  726   1HD1  ILE  93          1HD1      ILE  93   0.148   6.539   8.924
  727   2HD1  ILE  93          2HD1      ILE  93  -0.568   5.028   9.484
  728   3HD1  ILE  93          3HD1      ILE  93  -0.705   6.485  10.467
  729    H    LEU  94           H        LEU  94  -5.863   4.396   7.818
  730    HA   LEU  94           HA       LEU  94  -7.945   4.667   9.822
  731   1HB   LEU  94          2HB       LEU  94  -7.814   3.117   7.265
  732   2HB   LEU  94          1HB       LEU  94  -9.165   3.079   8.370
  733    HG   LEU  94           HG       LEU  94  -8.227   5.425   6.728
  734   1HD1  LEU  94          1HD1      LEU  94 -10.729   3.758   6.655
  735   2HD1  LEU  94          2HD1      LEU  94  -9.437   3.763   5.452
  736   3HD1  LEU  94          3HD1      LEU  94 -10.435   5.198   5.688
  737   1HD2  LEU  94          1HD2      LEU  94 -10.478   5.250   8.725
  738   2HD2  LEU  94          2HD2      LEU  94 -10.187   6.589   7.621
  739   3HD2  LEU  94          3HD2      LEU  94  -9.012   6.226   8.885
  740    H    ASP  95           H        ASP  95  -6.061   2.096   8.165
  741    HA   ASP  95           HA       ASP  95  -5.722   0.733  10.643
  742   1HB   ASP  95          2HB       ASP  95  -6.647  -1.306   9.850
  743   2HB   ASP  95          1HB       ASP  95  -7.911  -0.114  10.125
  744    H    LYS  96           H        LYS  96  -4.439  -1.082  10.423
  745    HA   LYS  96           HA       LYS  96  -3.106  -1.457   7.905
  746   1HB   LYS  96          2HB       LYS  96  -0.782  -1.377   9.041
  747   2HB   LYS  96          1HB       LYS  96  -1.565   0.131   8.628
  748   1HG   LYS  96          2HG       LYS  96  -0.490   0.310  10.784
  749   2HG   LYS  96          1HG       LYS  96  -2.233   0.407  10.985
  750   1HD   LYS  96          2HD       LYS  96  -2.245  -1.954  11.674
  751   2HD   LYS  96          1HD       LYS  96  -0.490  -2.003  11.500
  752   1HE   LYS  96          2HE       LYS  96  -0.255  -0.278  13.193
  753   2HE   LYS  96          1HE       LYS  96  -2.008  -0.167  13.346
  754   1HZ   LYS  96          1HZ       LYS  96  -0.364  -2.554  13.964
  755   2HZ   LYS  96          2HZ       LYS  96  -2.043  -2.441  14.137
  756   3HZ   LYS  96          3HZ       LYS  96  -1.032  -1.500  15.093
  757    H    VAL  97           H        VAL  97  -2.199  -3.364   7.485
  758    HA   VAL  97           HA       VAL  97  -2.789  -5.494   9.443
  759    HB   VAL  97           HB       VAL  97  -2.765  -5.714   6.418
  760   1HG1  VAL  97          1HG1      VAL  97  -3.583  -7.728   8.513
  761   2HG1  VAL  97          2HG1      VAL  97  -2.148  -7.801   7.487
  762   3HG1  VAL  97          3HG1      VAL  97  -3.750  -7.939   6.769
  763   1HG2  VAL  97          1HG2      VAL  97  -5.120  -5.665   8.302
  764   2HG2  VAL  97          2HG2      VAL  97  -5.207  -5.981   6.570
  765   3HG2  VAL  97          3HG2      VAL  97  -4.682  -4.401   7.155
  766    H    VAL  98           H        VAL  98  -0.996  -6.456  10.194
  767    HA   VAL  98           HA       VAL  98   1.397  -6.354   8.560
  768    HB   VAL  98           HB       VAL  98   1.674  -5.481  10.837
  769   1HG1  VAL  98          1HG1      VAL  98   0.864  -8.209  11.808
  770   2HG1  VAL  98          2HG1      VAL  98  -0.044  -6.709  12.008
  771   3HG1  VAL  98          3HG1      VAL  98   1.511  -6.915  12.817
  772   1HG2  VAL  98          1HG2      VAL  98   3.603  -6.832  11.557
  773   2HG2  VAL  98          2HG2      VAL  98   3.600  -6.552   9.817
  774   3HG2  VAL  98          3HG2      VAL  98   3.094  -8.115  10.459
  775    H    GLY  99           H        GLY  99   1.974  -8.037   7.436
  776   1HA   GLY  99          2HA       GLY  99   2.481 -10.344   7.233
  777   2HA   GLY  99          1HA       GLY  99   1.129 -10.703   8.309
  778    H    ALA 100           H        ALA 100   1.663 -11.641   5.523
  779    HA   ALA 100           HA       ALA 100  -0.463 -10.278   4.072
  780   1HB   ALA 100          1HB       ALA 100   1.566 -10.896   2.835
  781   2HB   ALA 100          2HB       ALA 100   0.146 -11.726   2.205
  782   3HB   ALA 100          3HB       ALA 100   1.285 -12.592   3.235
  783    H    LYS 101           H        LYS 101  -2.391 -10.830   4.728
  784    HA   LYS 101           HA       LYS 101  -2.975 -13.653   4.979
  785   1HB   LYS 101          2HB       LYS 101  -4.024 -11.315   6.549
  786   2HB   LYS 101          1HB       LYS 101  -4.661 -12.954   6.648
  787   1HG   LYS 101          2HG       LYS 101  -2.542 -13.781   7.451
  788   2HG   LYS 101          1HG       LYS 101  -1.799 -12.197   7.237
  789   1HD   LYS 101          2HD       LYS 101  -2.236 -12.680   9.478
  790   2HD   LYS 101          1HD       LYS 101  -3.300 -11.373   8.916
  791   1HE   LYS 101          2HE       LYS 101  -5.155 -12.942   8.750
  792   2HE   LYS 101          1HE       LYS 101  -4.094 -14.276   9.212
  793   1HZ   LYS 101          1HZ       LYS 101  -4.802 -11.959  10.924
  794   2HZ   LYS 101          2HZ       LYS 101  -3.784 -13.212  11.353
  795   3HZ   LYS 101          3HZ       LYS 101  -5.403 -13.525  11.092
  796    H    LYS 102           H        LYS 102  -4.187 -14.160   3.229
  797    HA   LYS 102           HA       LYS 102  -5.227 -12.228   1.517
  798   1HB   LYS 102          2HB       LYS 102  -4.388 -14.382   0.768
  799   2HB   LYS 102          1HB       LYS 102  -5.689 -15.185   1.638
  800   1HG   LYS 102          2HG       LYS 102  -7.319 -14.158   0.210
  801   2HG   LYS 102          1HG       LYS 102  -6.032 -13.278  -0.628
  802   1HD   LYS 102          2HD       LYS 102  -5.069 -15.381  -1.396
  803   2HD   LYS 102          1HD       LYS 102  -6.307 -16.285  -0.520
  804   1HE   LYS 102          2HE       LYS 102  -8.035 -15.267  -1.916
  805   2HE   LYS 102          1HE       LYS 102  -6.796 -14.352  -2.777
  806   1HZ   LYS 102          1HZ       LYS 102  -7.032 -17.309  -2.713
  807   2HZ   LYS 102          2HZ       LYS 102  -5.854 -16.426  -3.536
  808   3HZ   LYS 102          3HZ       LYS 102  -7.467 -16.305  -3.996
  809    H    ASP 103           H        ASP 103  -6.847 -14.506   3.687
  810    HA   ASP 103           HA       ASP 103  -9.481 -13.692   2.984
  811   1HB   ASP 103          2HB       ASP 103  -9.137 -15.862   3.999
  812   2HB   ASP 103          1HB       ASP 103  -8.474 -15.133   5.451
  813    H    GLU 104           H        GLU 104  -7.355 -12.771   5.619
  814    HA   GLU 104           HA       GLU 104  -9.191 -11.002   6.878
  815   1HB   GLU 104          2HB       GLU 104  -7.179 -12.031   7.958
  816   2HB   GLU 104          1HB       GLU 104  -6.166 -10.982   6.981
  817   1HG   GLU 104          2HG       GLU 104  -6.361 -10.112   9.211
  818   2HG   GLU 104          1HG       GLU 104  -7.176  -9.035   8.078
  819    H    LEU 105           H        LEU 105  -6.834 -10.621   4.306
  820    HA   LEU 105           HA       LEU 105  -6.885  -7.816   4.130
  821   1HB   LEU 105          2HB       LEU 105  -5.288  -9.401   2.993
  822   2HB   LEU 105          1HB       LEU 105  -6.573  -9.804   1.915
  823    HG   LEU 105           HG       LEU 105  -6.704  -7.566   1.048
  824   1HD1  LEU 105          1HD1      LEU 105  -6.000  -6.295   3.014
  825   2HD1  LEU 105          2HD1      LEU 105  -4.971  -5.897   1.634
  826   3HD1  LEU 105          3HD1      LEU 105  -4.378  -6.982   2.888
  827   1HD2  LEU 105          1HD2      LEU 105  -3.883  -8.626   1.033
  828   2HD2  LEU 105          2HD2      LEU 105  -4.573  -7.512  -0.148
  829   3HD2  LEU 105          3HD2      LEU 105  -5.191  -9.158  -0.016
  830    H    GLN 106           H        GLN 106  -8.592 -10.329   2.433
  831    HA   GLN 106           HA       GLN 106 -10.407  -8.786   0.929
  832   1HB   GLN 106          2HB       GLN 106 -10.801 -11.518   2.164
  833   2HB   GLN 106          1HB       GLN 106 -11.960 -10.777   1.072
  834   1HG   GLN 106          2HG       GLN 106  -9.092 -11.305   0.343
  835   2HG   GLN 106          1HG       GLN 106 -10.408 -12.435   0.027
  836   1HE2  GLN 106          1HE2      GLN 106  -9.030  -9.367  -0.802
  837   2HE2  GLN 106          2HE2      GLN 106  -9.931  -9.129  -2.250
  838    H    SER 107           H        SER 107 -10.631  -9.841   4.264
  839    HA   SER 107           HA       SER 107 -13.226  -8.833   4.731
  840   1HB   SER 107          2HB       SER 107 -12.174 -10.430   6.253
  841   2HB   SER 107          1HB       SER 107 -10.925  -9.262   6.660
  842    HG   SER 107           HG       SER 107 -12.192  -8.546   8.105
  843    H    THR 108           H        THR 108 -10.034  -7.440   5.133
  844    HA   THR 108           HA       THR 108 -10.854  -4.941   6.151
  845    HB   THR 108           HB       THR 108  -8.381  -5.688   4.556
  846    HG1  THR 108           1HG      THR 108  -8.330  -6.954   6.344
  847   1HG2  THR 108          1HG2      THR 108  -8.714  -3.255   4.737
  848   2HG2  THR 108          2HG2      THR 108  -7.343  -3.775   5.718
  849   3HG2  THR 108          3HG2      THR 108  -8.885  -3.402   6.485
  850    H    ILE 109           H        ILE 109 -10.418  -6.153   2.839
  851    HA   ILE 109           HA       ILE 109 -10.795  -3.666   1.576
  852    HB   ILE 109           HB       ILE 109 -11.479  -6.419   0.484
  853   1HG1  ILE 109          2HG1      ILE 109  -8.902  -4.809   0.163
  854   2HG1  ILE 109          1HG1      ILE 109  -9.112  -6.233   1.176
  855   1HG2  ILE 109          1HG2      ILE 109 -12.545  -4.625  -0.780
  856   2HG2  ILE 109          2HG2      ILE 109 -11.244  -5.349  -1.734
  857   3HG2  ILE 109          3HG2      ILE 109 -10.996  -3.795  -0.933
  858   1HD1  ILE 109          1HD1      ILE 109  -9.594  -7.537  -0.822
  859   2HD1  ILE 109          2HD1      ILE 109  -8.009  -6.786  -0.860
  860   3HD1  ILE 109          3HD1      ILE 109  -9.335  -6.098  -1.810
  861    H    ALA 110           H        ALA 110 -13.062  -6.218   2.568
  862    HA   ALA 110           HA       ALA 110 -15.362  -4.944   1.508
  863   1HB   ALA 110          1HB       ALA 110 -15.288  -7.355   2.037
  864   2HB   ALA 110          2HB       ALA 110 -16.640  -6.547   2.835
  865   3HB   ALA 110          3HB       ALA 110 -15.195  -6.961   3.754
  866    H    LYS 111           H        LYS 111 -13.667  -4.639   4.636
  867    HA   LYS 111           HA       LYS 111 -15.589  -3.233   5.929
  868   1HB   LYS 111          2HB       LYS 111 -12.782  -3.778   5.971
  869   2HB   LYS 111          1HB       LYS 111 -13.261  -2.574   7.099
  870   1HG   LYS 111          2HG       LYS 111 -14.948  -4.332   7.938
  871   2HG   LYS 111          1HG       LYS 111 -14.117  -5.459   6.870
  872   1HD   LYS 111          2HD       LYS 111 -12.027  -5.038   8.082
  873   2HD   LYS 111          1HD       LYS 111 -12.886  -3.940   9.162
  874   1HE   LYS 111          2HE       LYS 111 -14.342  -5.765   9.877
  875   2HE   LYS 111          1HE       LYS 111 -13.505  -6.867   8.789
  876   1HZ   LYS 111          1HZ       LYS 111 -12.300  -5.474  11.121
  877   2HZ   LYS 111          2HZ       LYS 111 -11.477  -6.488  10.058
  878   3HZ   LYS 111          3HZ       LYS 111 -12.698  -7.113  11.025
  879    H    HIS 112           H        HIS 112 -13.104  -2.346   3.626
  880    HA   HIS 112           HA       HIS 112 -13.519   0.463   4.001
  881   1HB   HIS 112          2HB       HIS 112 -11.824  -1.183   2.165
  882   2HB   HIS 112          1HB       HIS 112 -12.053   0.531   1.891
  883    HD1  HIS 112           1HD      HIS 112 -10.461   2.010   3.048
  884    HD2  HIS 112           2HD      HIS 112 -10.577  -1.740   4.789
  885    HE1  HIS 112           1HE      HIS 112  -8.611   2.008   4.751
  886    HE2  HIS 112           2HE      HIS 112  -8.932  -0.119   6.004
  887    H    LEU 113           H        LEU 113 -14.632  -2.089   1.777
  888    HA   LEU 113           HA       LEU 113 -15.451  -0.666  -0.376
  889   1HB   LEU 113          2HB       LEU 113 -15.169  -3.097  -0.002
  890   2HB   LEU 113          1HB       LEU 113 -16.646  -3.035   0.924
  891    HG   LEU 113           HG       LEU 113 -16.774  -3.999  -1.271
  892   1HD1  LEU 113          1HD1      LEU 113 -18.530  -1.551  -0.892
  893   2HD1  LEU 113          2HD1      LEU 113 -18.854  -3.168  -0.274
  894   3HD1  LEU 113          3HD1      LEU 113 -18.905  -2.860  -2.013
  895   1HD2  LEU 113          1HD2      LEU 113 -15.288  -2.641  -2.529
  896   2HD2  LEU 113          2HD2      LEU 113 -16.304  -1.217  -2.296
  897   3HD2  LEU 113          3HD2      LEU 113 -16.876  -2.560  -3.287
  898    H    ALA 114           H        ALA 114 -16.948   0.860  -0.640
  899    HA   ALA 114           HA       ALA 114 -19.570   0.668   0.346
  900   1HB   ALA 114          1HB       ALA 114 -17.837   2.843   1.548
  901   2HB   ALA 114          2HB       ALA 114 -18.529   1.482   2.425
  902   3HB   ALA 114          3HB       ALA 114 -19.586   2.712   1.729
  Start of MODEL   12
    1    H    MET   1           H        MET   1 -10.420   9.703 -21.478
    2    HA   MET   1           HA       MET   1 -11.003   8.919 -18.750
    3   1HB   MET   1          2HB       MET   1 -11.191   6.883 -20.159
    4   2HB   MET   1          1HB       MET   1  -9.564   7.158 -20.752
    5   1HG   MET   1          2HG       MET   1  -9.591   5.419 -19.067
    6   2HG   MET   1          1HG       MET   1  -8.689   6.819 -18.495
    7   1HE   MET   1          1HE       MET   1 -10.355   5.272 -15.261
    8   2HE   MET   1          2HE       MET   1  -8.833   5.677 -16.056
    9   3HE   MET   1          3HE       MET   1  -9.833   4.366 -16.682
   10    H    ALA   2           H        ALA   2  -9.901  10.636 -18.049
   11    HA   ALA   2           HA       ALA   2  -7.178  11.076 -18.997
   12   1HB   ALA   2          1HB       ALA   2  -8.902  12.727 -17.151
   13   2HB   ALA   2          2HB       ALA   2  -8.651  13.028 -18.871
   14   3HB   ALA   2          3HB       ALA   2  -7.307  13.189 -17.742
   15    H    SER   3           H        SER   3  -8.620   9.220 -16.899
   16    HA   SER   3           HA       SER   3  -6.611   9.424 -14.793
   17   1HB   SER   3          2HB       SER   3  -9.124   7.730 -14.987
   18   2HB   SER   3          1HB       SER   3  -8.110   7.942 -13.555
   19    HG   SER   3           HG       SER   3  -8.584  10.227 -13.788
   20    H    GLU   4           H        GLU   4  -5.097   7.770 -14.603
   21    HA   GLU   4           HA       GLU   4  -5.057   5.904 -16.843
   22   1HB   GLU   4          2HB       GLU   4  -3.107   7.383 -16.539
   23   2HB   GLU   4          1HB       GLU   4  -2.842   6.712 -14.944
   24   1HG   GLU   4          2HG       GLU   4  -2.324   4.557 -15.908
   25   2HG   GLU   4          1HG       GLU   4  -2.686   5.167 -17.524
   26    H    GLU   5           H        GLU   5  -3.626   5.573 -13.640
   27    HA   GLU   5           HA       GLU   5  -3.643   3.951 -12.102
   28   1HB   GLU   5          2HB       GLU   5  -6.575   4.095 -12.761
   29   2HB   GLU   5          1HB       GLU   5  -5.951   3.135 -11.432
   30   1HG   GLU   5          2HG       GLU   5  -6.751   5.232 -10.591
   31   2HG   GLU   5          1HG       GLU   5  -5.004   5.175 -10.435
   32    H    GLY   6           H        GLY   6  -4.981   1.697 -11.629
   33   1HA   GLY   6          2HA       GLY   6  -5.314  -0.498 -12.452
   34   2HA   GLY   6          1HA       GLY   6  -4.637   0.020 -13.985
   35    H    GLN   7           H        GLN   7  -2.844   1.090 -11.346
   36    HA   GLN   7           HA       GLN   7  -1.064  -1.189 -11.339
   37   1HB   GLN   7          2HB       GLN   7   0.866   0.203 -11.832
   38   2HB   GLN   7          1HB       GLN   7  -0.222   0.104 -13.202
   39   1HG   GLN   7          2HG       GLN   7  -1.094   2.341 -12.620
   40   2HG   GLN   7          1HG       GLN   7   0.001   2.398 -11.247
   41   1HE2  GLN   7          1HE2      GLN   7  -0.180   4.196 -13.486
   42   2HE2  GLN   7          2HE2      GLN   7   1.357   4.165 -14.247
   43    H    VAL   8           H        VAL   8   0.691  -0.770  -9.877
   44    HA   VAL   8           HA       VAL   8  -0.079   0.900  -7.599
   45    HB   VAL   8           HB       VAL   8  -0.194  -1.540  -7.349
   46   1HG1  VAL   8          1HG1      VAL   8   2.773  -1.537  -7.751
   47   2HG1  VAL   8          2HG1      VAL   8   1.541  -2.346  -8.727
   48   3HG1  VAL   8          3HG1      VAL   8   1.858  -2.888  -7.082
   49   1HG2  VAL   8          1HG2      VAL   8   0.092  -0.162  -5.393
   50   2HG2  VAL   8          2HG2      VAL   8   1.845  -0.202  -5.584
   51   3HG2  VAL   8          3HG2      VAL   8   0.957  -1.679  -5.187
   52    H    ILE   9           H        ILE   9   1.638   2.263  -6.669
   53    HA   ILE   9           HA       ILE   9   3.830   2.513  -8.540
   54    HB   ILE   9           HB       ILE   9   2.908   4.408  -6.359
   55   1HG1  ILE   9          2HG1      ILE   9   2.555   5.947  -8.346
   56   2HG1  ILE   9          1HG1      ILE   9   2.842   4.571  -9.381
   57   1HG2  ILE   9          1HG2      ILE   9   4.620   5.981  -7.201
   58   2HG2  ILE   9          2HG2      ILE   9   5.234   4.718  -8.265
   59   3HG2  ILE   9          3HG2      ILE   9   5.330   4.520  -6.517
   60   1HD1  ILE   9          1HD1      ILE   9   0.460   5.014  -9.166
   61   2HD1  ILE   9          2HD1      ILE   9   0.571   4.866  -7.416
   62   3HD1  ILE   9          3HD1      ILE   9   0.860   3.457  -8.437
   63    H    ALA  10           H        ALA  10   5.633   1.511  -8.138
   64    HA   ALA  10           HA       ALA  10   6.276   0.677  -5.430
   65   1HB   ALA  10          1HB       ALA  10   6.478  -0.953  -7.265
   66   2HB   ALA  10          2HB       ALA  10   8.030  -0.659  -6.481
   67   3HB   ALA  10          3HB       ALA  10   7.679   0.081  -8.040
   68    H    CYS  11           H        CYS  11   7.365   2.068  -4.182
   69    HA   CYS  11           HA       CYS  11   8.934   4.118  -5.454
   70   1HB   CYS  11          2HB       CYS  11   8.303   3.780  -2.542
   71   2HB   CYS  11          1HB       CYS  11   8.878   5.171  -3.397
   72    HG   CYS  11           HG       CYS  11   5.849   3.912  -4.288
   73    H    HIS  12           H        HIS  12  11.037   3.838  -5.617
   74    HA   HIS  12           HA       HIS  12  12.395   2.009  -3.759
   75   1HB   HIS  12          2HB       HIS  12  13.274   3.083  -6.451
   76   2HB   HIS  12          1HB       HIS  12  14.275   2.078  -5.416
   77    HD1  HIS  12           1HD      HIS  12  14.022  -0.410  -5.678
   78    HD2  HIS  12           2HD      HIS  12  10.933   1.705  -7.509
   79    HE1  HIS  12           1HE      HIS  12  12.726  -2.093  -7.000
   80    HE2  HIS  12           2HE      HIS  12  10.748  -0.856  -7.869
   81    H    THR  13           H        THR  13  11.624   5.157  -3.966
   82    HA   THR  13           HA       THR  13  14.142   6.038  -2.784
   83    HB   THR  13           HB       THR  13  13.895   8.197  -4.040
   84    HG1  THR  13           1HG      THR  13  12.458   7.149  -6.092
   85   1HG2  THR  13          1HG2      THR  13  15.514   6.509  -4.788
   86   2HG2  THR  13          2HG2      THR  13  14.816   7.359  -6.168
   87   3HG2  THR  13          3HG2      THR  13  14.264   5.737  -5.754
   88    H    VAL  14           H        VAL  14  13.878   7.850  -1.384
   89    HA   VAL  14           HA       VAL  14  11.313   7.907  -0.172
   90    HB   VAL  14           HB       VAL  14  13.380   8.117   1.207
   91   1HG1  VAL  14          1HG1      VAL  14  13.671  10.836  -0.012
   92   2HG1  VAL  14          2HG1      VAL  14  14.763   9.463  -0.204
   93   3HG1  VAL  14          3HG1      VAL  14  14.581  10.237   1.372
   94   1HG2  VAL  14          1HG2      VAL  14  11.299   8.863   2.179
   95   2HG2  VAL  14          2HG2      VAL  14  11.501  10.460   1.460
   96   3HG2  VAL  14          3HG2      VAL  14  12.609   9.917   2.720
   97    H    GLU  15           H        GLU  15  12.920   9.799  -2.697
   98    HA   GLU  15           HA       GLU  15  11.575  12.130  -2.607
   99   1HB   GLU  15          2HB       GLU  15  12.485  10.446  -4.931
  100   2HB   GLU  15          1HB       GLU  15  11.891  12.078  -5.036
  101   1HG   GLU  15          2HG       GLU  15  14.249  12.197  -5.195
  102   2HG   GLU  15          1HG       GLU  15  13.837  12.764  -3.587
  103    H    THR  16           H        THR  16  10.710   9.081  -4.279
  104    HA   THR  16           HA       THR  16   8.239  10.068  -5.249
  105    HB   THR  16           HB       THR  16   9.130   7.188  -4.900
  106    HG1  THR  16           1HG      THR  16   9.874   9.210  -6.584
  107   1HG2  THR  16          1HG2      THR  16   6.703   7.456  -5.325
  108   2HG2  THR  16          2HG2      THR  16   7.525   6.721  -6.698
  109   3HG2  THR  16          3HG2      THR  16   7.070   8.427  -6.751
  110    H    TRP  17           H        TRP  17   9.187   8.131  -2.457
  111    HA   TRP  17           HA       TRP  17   6.723   7.452  -1.422
  112   1HB   TRP  17          2HB       TRP  17   8.733   6.533  -0.487
  113   2HB   TRP  17          1HB       TRP  17   9.325   8.140  -0.080
  114    HD1  TRP  17           HD       TRP  17   9.131   8.702   2.380
  115    HE1  TRP  17           1HE      TRP  17   7.661   7.974   4.337
  116    HE3  TRP  17           3HE      TRP  17   5.990   5.539  -0.113
  117    HZ2  TRP  17           2HZ      TRP  17   5.446   6.284   4.785
  118    HZ3  TRP  17           3HZ      TRP  17   4.215   4.417   1.164
  119    HH2  TRP  17           HH       TRP  17   3.956   4.786   3.564
  120    H    ASN  18           H        ASN  18   8.625  10.366  -0.683
  121    HA   ASN  18           HA       ASN  18   6.673  11.532   1.004
  122   1HB   ASN  18          2HB       ASN  18   9.075  12.175   0.987
  123   2HB   ASN  18          1HB       ASN  18   8.839  12.925  -0.578
  124   1HD2  ASN  18          1HD2      ASN  18   9.396  14.966   0.161
  125   2HD2  ASN  18          2HD2      ASN  18   8.379  15.898   1.192
  126    H    GLU  19           H        GLU  19   7.410  11.866  -2.403
  127    HA   GLU  19           HA       GLU  19   5.743  13.993  -3.089
  128   1HB   GLU  19          2HB       GLU  19   7.419  13.094  -4.616
  129   2HB   GLU  19          1HB       GLU  19   6.509  11.600  -4.763
  130   1HG   GLU  19          2HG       GLU  19   4.674  12.813  -5.804
  131   2HG   GLU  19          1HG       GLU  19   5.580  14.317  -5.663
  132    H    GLN  20           H        GLN  20   4.980  10.460  -3.123
  133    HA   GLN  20           HA       GLN  20   2.441  10.773  -4.107
  134   1HB   GLN  20          2HB       GLN  20   3.863   8.698  -2.626
  135   2HB   GLN  20          1HB       GLN  20   2.204   8.465  -3.151
  136   1HG   GLN  20          2HG       GLN  20   4.585   9.010  -4.933
  137   2HG   GLN  20          1HG       GLN  20   3.855   7.430  -4.686
  138   1HE2  GLN  20          1HE2      GLN  20   3.372   7.174  -6.824
  139   2HE2  GLN  20          2HE2      GLN  20   2.132   8.049  -7.644
  140    H    LEU  21           H        LEU  21   3.644  10.547  -0.680
  141    HA   LEU  21           HA       LEU  21   1.122  10.392   0.418
  142   1HB   LEU  21          2HB       LEU  21   3.742  11.337   1.323
  143   2HB   LEU  21          1HB       LEU  21   2.383  11.183   2.388
  144    HG   LEU  21           HG       LEU  21   3.895   8.978   0.974
  145   1HD1  LEU  21          1HD1      LEU  21   4.447   8.249   3.227
  146   2HD1  LEU  21          2HD1      LEU  21   3.552   9.617   3.890
  147   3HD1  LEU  21          3HD1      LEU  21   5.001   9.896   2.926
  148   1HD2  LEU  21          1HD2      LEU  21   1.507   8.405   1.008
  149   2HD2  LEU  21          2HD2      LEU  21   1.454   8.738   2.740
  150   3HD2  LEU  21          3HD2      LEU  21   2.414   7.392   2.133
  151    H    GLN  22           H        GLN  22   3.296  13.055  -0.235
  152    HA   GLN  22           HA       GLN  22   1.717  15.046   0.879
  153   1HB   GLN  22          2HB       GLN  22   4.037  15.416   0.253
  154   2HB   GLN  22          1HB       GLN  22   3.637  15.188  -1.442
  155   1HG   GLN  22          2HG       GLN  22   2.300  17.201  -1.428
  156   2HG   GLN  22          1HG       GLN  22   2.597  17.412   0.296
  157   1HE2  GLN  22          1HE2      GLN  22   3.971  17.552  -2.871
  158   2HE2  GLN  22          2HE2      GLN  22   5.396  18.429  -2.424
  159    H    LYS  23           H        LYS  23   1.769  13.651  -2.354
  160    HA   LYS  23           HA       LYS  23  -0.192  15.330  -3.467
  161   1HB   LYS  23          2HB       LYS  23   1.278  14.025  -4.895
  162   2HB   LYS  23          1HB       LYS  23   0.650  12.530  -4.229
  163   1HG   LYS  23          2HG       LYS  23  -1.506  12.938  -5.241
  164   2HG   LYS  23          1HG       LYS  23  -0.962  14.511  -5.830
  165   1HD   LYS  23          2HD       LYS  23   0.698  13.432  -7.238
  166   2HD   LYS  23          1HD       LYS  23   0.238  11.852  -6.592
  167   1HE   LYS  23          2HE       LYS  23  -1.954  12.050  -7.553
  168   2HE   LYS  23          1HE       LYS  23  -1.618  13.695  -8.091
  169   1HZ   LYS  23          1HZ       LYS  23  -0.152  11.280  -9.071
  170   2HZ   LYS  23          2HZ       LYS  23  -0.021  12.869  -9.643
  171   3HZ   LYS  23          3HZ       LYS  23  -1.434  12.027  -9.856
  172    H    ALA  24           H        ALA  24  -0.437  12.184  -1.778
  173    HA   ALA  24           HA       ALA  24  -3.200  11.896  -2.235
  174   1HB   ALA  24          1HB       ALA  24  -3.102  10.188  -0.490
  175   2HB   ALA  24          2HB       ALA  24  -1.500  10.752  -0.018
  176   3HB   ALA  24          3HB       ALA  24  -1.745  10.025  -1.606
  177    H    ASN  25           H        ASN  25  -1.330  13.398   0.298
  178    HA   ASN  25           HA       ASN  25  -3.405  13.934   2.160
  179   1HB   ASN  25          2HB       ASN  25  -0.895  14.103   2.502
  180   2HB   ASN  25          1HB       ASN  25  -0.958  15.566   1.592
  181   1HD2  ASN  25          1HD2      ASN  25  -0.235  16.827   3.266
  182   2HD2  ASN  25          2HD2      ASN  25  -1.231  17.237   4.621
  183    H    GLU  26           H        GLU  26  -1.789  15.924  -0.167
  184    HA   GLU  26           HA       GLU  26  -3.300  18.275   0.099
  185   1HB   GLU  26          2HB       GLU  26  -1.089  18.255  -0.895
  186   2HB   GLU  26          1HB       GLU  26  -1.669  17.297  -2.237
  187   1HG   GLU  26          2HG       GLU  26  -3.044  19.152  -2.992
  188   2HG   GLU  26          1HG       GLU  26  -2.535  20.110  -1.601
  189    H    SER  27           H        SER  27  -3.808  15.514  -2.073
  190    HA   SER  27           HA       SER  27  -6.003  16.908  -3.338
  191   1HB   SER  27          2HB       SER  27  -4.867  14.177  -3.828
  192   2HB   SER  27          1HB       SER  27  -5.990  15.049  -4.869
  193    HG   SER  27           HG       SER  27  -3.287  15.514  -4.339
  194    H    LYS  28           H        LYS  28  -5.635  15.220  -0.540
  195    HA   LYS  28           HA       LYS  28  -6.908  14.032   0.861
  196   1HB   LYS  28          2HB       LYS  28  -9.077  15.269  -0.742
  197   2HB   LYS  28          1HB       LYS  28  -9.385  14.464   0.795
  198   1HG   LYS  28          2HG       LYS  28  -7.815  16.134   1.856
  199   2HG   LYS  28          1HG       LYS  28  -7.776  16.977   0.310
  200   1HD   LYS  28          2HD       LYS  28 -10.203  17.313   0.446
  201   2HD   LYS  28          1HD       LYS  28 -10.227  16.482   2.004
  202   1HE   LYS  28          2HE       LYS  28  -8.681  18.206   2.899
  203   2HE   LYS  28          1HE       LYS  28  -8.769  19.035   1.349
  204   1HZ   LYS  28          1HZ       LYS  28 -11.069  18.585   3.183
  205   2HZ   LYS  28          2HZ       LYS  28 -11.137  19.378   1.695
  206   3HZ   LYS  28          3HZ       LYS  28 -10.254  20.032   2.944
  207    H    THR  29           H        THR  29  -5.901  12.687  -1.256
  208    HA   THR  29           HA       THR  29  -7.868  10.954  -2.429
  209    HB   THR  29           HB       THR  29  -4.912  10.659  -2.447
  210    HG1  THR  29           1HG      THR  29  -6.644  12.234  -4.114
  211   1HG2  THR  29          1HG2      THR  29  -7.028   9.857  -4.455
  212   2HG2  THR  29          2HG2      THR  29  -6.152   8.779  -3.368
  213   3HG2  THR  29          3HG2      THR  29  -5.293   9.607  -4.666
  214    H    LEU  30           H        LEU  30  -8.039   8.890  -1.959
  215    HA   LEU  30           HA       LEU  30  -7.369   8.015   0.660
  216   1HB   LEU  30          2HB       LEU  30  -9.566   7.512  -0.224
  217   2HB   LEU  30          1HB       LEU  30  -8.893   6.736  -1.629
  218    HG   LEU  30           HG       LEU  30  -8.204   4.813  -0.245
  219   1HD1  LEU  30          1HD1      LEU  30  -8.984   4.651   2.051
  220   2HD1  LEU  30          2HD1      LEU  30  -9.502   6.343   1.987
  221   3HD1  LEU  30          3HD1      LEU  30  -7.791   5.920   1.823
  222   1HD2  LEU  30          1HD2      LEU  30 -10.428   4.810  -1.272
  223   2HD2  LEU  30          2HD2      LEU  30 -11.066   5.622   0.141
  224   3HD2  LEU  30          3HD2      LEU  30 -10.429   3.990   0.290
  225    H    VAL  31           H        VAL  31  -5.520   6.621   1.078
  226    HA   VAL  31           HA       VAL  31  -4.155   5.603  -1.269
  227    HB   VAL  31           HB       VAL  31  -3.156   7.736  -0.660
  228   1HG1  VAL  31          1HG1      VAL  31  -2.633   6.546   2.031
  229   2HG1  VAL  31          2HG1      VAL  31  -3.756   7.858   1.662
  230   3HG1  VAL  31          3HG1      VAL  31  -2.017   8.100   1.466
  231   1HG2  VAL  31          1HG2      VAL  31  -1.653   6.055  -1.551
  232   2HG2  VAL  31          2HG2      VAL  31  -1.374   5.416   0.069
  233   3HG2  VAL  31          3HG2      VAL  31  -0.813   7.037  -0.348
  234    H    VAL  32           H        VAL  32  -3.077   3.690  -1.005
  235    HA   VAL  32           HA       VAL  32  -3.152   2.467   1.657
  236    HB   VAL  32           HB       VAL  32  -3.633   1.089  -0.956
  237   1HG1  VAL  32          1HG1      VAL  32  -2.407  -0.353   0.603
  238   2HG1  VAL  32          2HG1      VAL  32  -4.059  -0.945   0.423
  239   3HG1  VAL  32          3HG1      VAL  32  -3.601  -0.034   1.860
  240   1HG2  VAL  32          1HG2      VAL  32  -5.524   1.596   1.338
  241   2HG2  VAL  32          2HG2      VAL  32  -5.900   0.608  -0.073
  242   3HG2  VAL  32          3HG2      VAL  32  -5.589   2.334  -0.262
  243    H    VAL  33           H        VAL  33  -1.247   1.803   2.345
  244    HA   VAL  33           HA       VAL  33   0.915   1.749   0.370
  245    HB   VAL  33           HB       VAL  33   1.119   2.381   3.321
  246   1HG1  VAL  33          1HG1      VAL  33   3.447   2.961   2.818
  247   2HG1  VAL  33          2HG1      VAL  33   3.213   2.438   1.152
  248   3HG1  VAL  33          3HG1      VAL  33   3.111   1.269   2.465
  249   1HG2  VAL  33          1HG2      VAL  33   1.372   4.196   0.915
  250   2HG2  VAL  33          2HG2      VAL  33   1.659   4.669   2.589
  251   3HG2  VAL  33          3HG2      VAL  33   0.042   4.187   2.071
  252    H    ASP  34           H        ASP  34   1.983  -0.029   0.087
  253    HA   ASP  34           HA       ASP  34   1.620  -2.350   1.836
  254   1HB   ASP  34          2HB       ASP  34   0.986  -2.721  -0.439
  255   2HB   ASP  34          1HB       ASP  34   2.423  -1.922  -1.037
  256    H    PHE  35           H        PHE  35   3.353  -2.569   3.303
  257    HA   PHE  35           HA       PHE  35   6.010  -1.834   2.342
  258   1HB   PHE  35          2HB       PHE  35   4.957  -2.562   5.078
  259   2HB   PHE  35          1HB       PHE  35   6.618  -2.162   4.706
  260    HD1  PHE  35           1HD      PHE  35   3.304  -0.909   5.434
  261    HD2  PHE  35           2HD      PHE  35   7.192   0.195   4.097
  262    HE1  PHE  35           1HE      PHE  35   2.802   1.441   5.932
  263    HE2  PHE  35           2HE      PHE  35   6.695   2.553   4.593
  264    HZ   PHE  35           HZ       PHE  35   4.499   3.180   5.517
  265    H    THR  36           H        THR  36   7.100  -3.538   1.510
  266    HA   THR  36           HA       THR  36   6.675  -6.213   2.616
  267    HB   THR  36           HB       THR  36   6.325  -5.444  -0.227
  268    HG1  THR  36           1HG      THR  36   4.322  -5.154   0.518
  269   1HG2  THR  36          1HG2      THR  36   6.047  -8.115   1.054
  270   2HG2  THR  36          2HG2      THR  36   7.355  -7.632  -0.044
  271   3HG2  THR  36          3HG2      THR  36   5.693  -7.794  -0.648
  272    H    ALA  37           H        ALA  37   8.383  -7.670   2.077
  273    HA   ALA  37           HA       ALA  37  10.779  -6.415   0.938
  274   1HB   ALA  37          1HB       ALA  37  11.071  -7.129   3.267
  275   2HB   ALA  37          2HB       ALA  37  12.071  -8.097   2.187
  276   3HB   ALA  37          3HB       ALA  37  10.569  -8.760   2.832
  277    H    SER  38           H        SER  38  11.471  -7.215  -0.934
  278    HA   SER  38           HA       SER  38   9.971  -9.101  -2.361
  279   1HB   SER  38          2HB       SER  38  12.736  -8.039  -2.942
  280   2HB   SER  38          1HB       SER  38  11.697  -8.893  -4.084
  281    HG   SER  38           HG       SER  38  11.198  -6.423  -2.796
  282    H    TRP  39           H        TRP  39  12.465  -9.683  -0.085
  283    HA   TRP  39           HA       TRP  39  13.224 -12.178  -1.319
  284   1HB   TRP  39          2HB       TRP  39  14.847 -12.392   0.615
  285   2HB   TRP  39          1HB       TRP  39  15.070 -11.017  -0.443
  286    HD1  TRP  39           HD       TRP  39  15.081  -8.750   0.615
  287    HE1  TRP  39           1HE      TRP  39  14.845  -7.812   3.007
  288    HE3  TRP  39           3HE      TRP  39  13.428 -12.965   2.947
  289    HZ2  TRP  39           2HZ      TRP  39  14.047  -8.752   5.540
  290    HZ3  TRP  39           3HZ      TRP  39  12.949 -12.869   5.362
  291    HH2  TRP  39           HH       TRP  39  13.251 -10.796   6.628
  292    H    CYS  40           H        CYS  40  10.719 -11.368   0.730
  293    HA   CYS  40           HA       CYS  40  10.845 -14.014   1.907
  294   1HB   CYS  40          2HB       CYS  40   8.875 -13.160   3.383
  295   2HB   CYS  40          1HB       CYS  40  10.505 -12.611   3.729
  296    H    GLY  41           H        GLY  41   9.380 -15.606   1.725
  297   1HA   GLY  41          2HA       GLY  41   8.276 -15.957  -0.788
  298   2HA   GLY  41          1HA       GLY  41   7.936 -16.951   0.611
  299    HA   PRO  42           HA       PRO  42   3.725 -15.484   0.948
  300   1HB   PRO  42          2HB       PRO  42   3.572 -13.897   3.231
  301   2HB   PRO  42          1HB       PRO  42   3.465 -15.661   3.226
  302   1HG   PRO  42          2HG       PRO  42   5.814 -13.902   3.799
  303   2HG   PRO  42          1HG       PRO  42   5.314 -15.397   4.607
  304   1HD   PRO  42          2HD       PRO  42   7.330 -15.390   2.860
  305   2HD   PRO  42          1HD       PRO  42   6.177 -16.743   2.918
  306    H    CYS  43           H        CYS  43   6.134 -13.086   1.474
  307    HA   CYS  43           HA       CYS  43   4.656 -10.732   0.958
  308   1HB   CYS  43          2HB       CYS  43   7.567 -11.322   0.526
  309   2HB   CYS  43          1HB       CYS  43   6.886  -9.731   0.761
  310    H    ARG  44           H        ARG  44   6.857 -12.707  -0.999
  311    HA   ARG  44           HA       ARG  44   6.553 -11.280  -3.397
  312   1HB   ARG  44          2HB       ARG  44   8.464 -12.726  -2.919
  313   2HB   ARG  44          1HB       ARG  44   7.411 -14.125  -2.865
  314   1HG   ARG  44          2HG       ARG  44   6.951 -13.909  -5.216
  315   2HG   ARG  44          1HG       ARG  44   7.914 -12.433  -5.303
  316   1HD   ARG  44          2HD       ARG  44   8.929 -15.163  -4.526
  317   2HD   ARG  44          1HD       ARG  44   9.167 -14.403  -6.101
  318    HE   ARG  44           HE       ARG  44  10.164 -12.592  -4.403
  319   1HH1  ARG  44          1HH1      ARG  44  10.787 -16.073  -4.774
  320   2HH1  ARG  44          2HH1      ARG  44  12.414 -15.977  -4.249
  321   1HH2  ARG  44          1HH2      ARG  44  12.387 -12.483  -3.689
  322   2HH2  ARG  44          2HH2      ARG  44  13.351 -13.889  -3.644
  323    H    PHE  45           H        PHE  45   4.773 -13.864  -1.921
  324    HA   PHE  45           HA       PHE  45   3.223 -14.547  -4.229
  325   1HB   PHE  45          2HB       PHE  45   3.589 -16.200  -2.476
  326   2HB   PHE  45          1HB       PHE  45   2.807 -15.159  -1.297
  327    HD1  PHE  45           1HD      PHE  45   0.478 -15.236  -0.980
  328    HD2  PHE  45           2HD      PHE  45   2.211 -17.142  -4.369
  329    HE1  PHE  45           1HE      PHE  45  -1.681 -16.285  -1.484
  330    HE2  PHE  45           2HE      PHE  45   0.048 -18.199  -4.879
  331    HZ   PHE  45           HZ       PHE  45  -1.900 -17.770  -3.436
  332    H    ILE  46           H        ILE  46   2.846 -12.257  -1.605
  333    HA   ILE  46           HA       ILE  46   0.055 -11.889  -2.250
  334    HB   ILE  46           HB       ILE  46   0.981 -11.828   0.133
  335   1HG1  ILE  46          2HG1      ILE  46  -0.483  -9.952   0.864
  336   2HG1  ILE  46          1HG1      ILE  46  -0.664  -9.485  -0.831
  337   1HG2  ILE  46          1HG2      ILE  46   2.937 -10.453  -0.271
  338   2HG2  ILE  46          2HG2      ILE  46   1.897  -9.739   0.959
  339   3HG2  ILE  46          3HG2      ILE  46   1.907  -9.078  -0.677
  340   1HD1  ILE  46          1HD1      ILE  46  -1.693 -11.631  -1.304
  341   2HD1  ILE  46          2HD1      ILE  46  -2.550 -10.803   0.011
  342   3HD1  ILE  46          3HD1      ILE  46  -1.413 -12.112   0.367
  343    H    ALA  47           H        ALA  47   3.049 -10.549  -3.140
  344    HA   ALA  47           HA       ALA  47   2.409  -7.911  -3.661
  345   1HB   ALA  47          1HB       ALA  47   4.403  -9.549  -5.245
  346   2HB   ALA  47          2HB       ALA  47   4.717  -8.784  -3.694
  347   3HB   ALA  47          3HB       ALA  47   4.347  -7.796  -5.101
  348    HA   PRO  48           HA       PRO  48   1.068  -9.028  -8.238
  349   1HB   PRO  48          2HB       PRO  48   0.119 -11.813  -7.843
  350   2HB   PRO  48          1HB       PRO  48   0.970 -11.110  -9.220
  351   1HG   PRO  48          2HG       PRO  48   2.244 -12.743  -7.578
  352   2HG   PRO  48          1HG       PRO  48   3.049 -11.281  -8.181
  353   1HD   PRO  48          2HD       PRO  48   1.755 -11.765  -5.525
  354   2HD   PRO  48          1HD       PRO  48   3.314 -10.998  -5.886
  355    H    PHE  49           H        PHE  49  -0.406 -10.413  -5.403
  356    HA   PHE  49           HA       PHE  49  -3.087 -10.127  -6.349
  357   1HB   PHE  49          2HB       PHE  49  -2.506 -11.820  -4.630
  358   2HB   PHE  49          1HB       PHE  49  -2.117 -10.526  -3.503
  359    HD1  PHE  49           1HD      PHE  49  -3.795  -9.597  -2.147
  360    HD2  PHE  49           2HD      PHE  49  -4.869 -11.941  -5.525
  361    HE1  PHE  49           1HE      PHE  49  -6.161  -9.534  -1.435
  362    HE2  PHE  49           2HE      PHE  49  -7.224 -11.889  -4.824
  363    HZ   PHE  49           HZ       PHE  49  -7.870 -10.690  -2.787
  364    H    PHE  50           H        PHE  50  -0.968  -8.258  -4.222
  365    HA   PHE  50           HA       PHE  50  -2.873  -6.230  -3.630
  366   1HB   PHE  50          2HB       PHE  50  -0.759  -6.615  -2.326
  367   2HB   PHE  50          1HB       PHE  50   0.155  -5.997  -3.694
  368    HD1  PHE  50           1HD      PHE  50   0.287  -3.633  -4.125
  369    HD2  PHE  50           2HD      PHE  50  -2.175  -5.131  -0.996
  370    HE1  PHE  50           1HE      PHE  50   0.051  -1.359  -3.226
  371    HE2  PHE  50           2HE      PHE  50  -2.418  -2.854  -0.094
  372    HZ   PHE  50           HZ       PHE  50  -1.298  -0.965  -1.213
  373    H    ALA  51           H        ALA  51  -0.635  -6.724  -6.255
  374    HA   ALA  51           HA       ALA  51  -0.968  -4.223  -7.508
  375   1HB   ALA  51          1HB       ALA  51   0.818  -5.792  -8.123
  376   2HB   ALA  51          2HB       ALA  51  -0.133  -5.319  -9.533
  377   3HB   ALA  51          3HB       ALA  51  -0.386  -6.896  -8.783
  378    H    ASP  52           H        ASP  52  -2.900  -7.140  -7.522
  379    HA   ASP  52           HA       ASP  52  -4.669  -6.364  -9.648
  380   1HB   ASP  52          2HB       ASP  52  -4.446  -8.716  -8.766
  381   2HB   ASP  52          1HB       ASP  52  -5.261  -8.181  -7.332
  382    H    LEU  53           H        LEU  53  -4.782  -6.258  -6.171
  383    HA   LEU  53           HA       LEU  53  -7.175  -5.010  -5.721
  384   1HB   LEU  53          2HB       LEU  53  -4.538  -4.762  -4.318
  385   2HB   LEU  53          1HB       LEU  53  -6.032  -4.193  -3.655
  386    HG   LEU  53           HG       LEU  53  -5.299  -7.034  -4.233
  387   1HD1  LEU  53          1HD1      LEU  53  -5.756  -5.574  -1.640
  388   2HD1  LEU  53          2HD1      LEU  53  -4.192  -6.073  -2.256
  389   3HD1  LEU  53          3HD1      LEU  53  -5.389  -7.285  -1.797
  390   1HD2  LEU  53          1HD2      LEU  53  -7.830  -5.896  -3.062
  391   2HD2  LEU  53          2HD2      LEU  53  -7.408  -7.603  -3.096
  392   3HD2  LEU  53          3HD2      LEU  53  -7.683  -6.734  -4.612
  393    H    ALA  54           H        ALA  54  -4.041  -3.610  -6.524
  394    HA   ALA  54           HA       ALA  54  -4.712  -0.897  -6.281
  395   1HB   ALA  54          1HB       ALA  54  -2.406  -1.713  -6.420
  396   2HB   ALA  54          2HB       ALA  54  -2.726  -0.462  -7.620
  397   3HB   ALA  54          3HB       ALA  54  -2.667  -2.155  -8.109
  398    H    LYS  55           H        LYS  55  -5.035  -3.133  -8.926
  399    HA   LYS  55           HA       LYS  55  -5.985  -1.139 -10.768
  400   1HB   LYS  55          2HB       LYS  55  -4.712  -3.077 -11.562
  401   2HB   LYS  55          1HB       LYS  55  -5.909  -4.156 -10.884
  402   1HG   LYS  55          2HG       LYS  55  -6.587  -2.217 -13.088
  403   2HG   LYS  55          1HG       LYS  55  -5.864  -3.776 -13.428
  404   1HD   LYS  55          2HD       LYS  55  -8.456  -3.434 -11.890
  405   2HD   LYS  55          1HD       LYS  55  -8.409  -3.622 -13.636
  406   1HE   LYS  55          2HE       LYS  55  -8.932  -5.759 -12.565
  407   2HE   LYS  55          1HE       LYS  55  -7.364  -5.854 -13.350
  408   1HZ   LYS  55          1HZ       LYS  55  -7.793  -5.466 -10.420
  409   2HZ   LYS  55          2HZ       LYS  55  -6.294  -5.722 -11.207
  410   3HZ   LYS  55          3HZ       LYS  55  -7.408  -6.912 -11.153
  411    H    LYS  56           H        LYS  56  -7.306  -3.283  -8.441
  412    HA   LYS  56           HA       LYS  56  -9.962  -3.429  -9.369
  413   1HB   LYS  56          2HB       LYS  56  -8.878  -5.021  -7.746
  414   2HB   LYS  56          1HB       LYS  56  -8.880  -3.753  -6.547
  415   1HG   LYS  56          2HG       LYS  56 -11.389  -4.933  -7.755
  416   2HG   LYS  56          1HG       LYS  56 -10.645  -5.515  -6.280
  417   1HD   LYS  56          2HD       LYS  56 -11.027  -3.382  -5.205
  418   2HD   LYS  56          1HD       LYS  56 -11.647  -2.697  -6.709
  419   1HE   LYS  56          2HE       LYS  56 -12.857  -4.947  -5.112
  420   2HE   LYS  56          1HE       LYS  56 -13.454  -3.292  -5.205
  421   1HZ   LYS  56          1HZ       LYS  56 -13.799  -3.627  -7.610
  422   2HZ   LYS  56          2HZ       LYS  56 -14.710  -4.682  -6.672
  423   3HZ   LYS  56          3HZ       LYS  56 -13.342  -5.249  -7.439
  424    H    LEU  57           H        LEU  57  -8.283  -1.201  -7.128
  425    HA   LEU  57           HA       LEU  57 -10.695   0.381  -7.124
  426   1HB   LEU  57          2HB       LEU  57  -8.480   0.151  -5.142
  427   2HB   LEU  57          1HB       LEU  57  -9.643   1.461  -5.105
  428    HG   LEU  57           HG       LEU  57 -10.369  -1.437  -4.991
  429   1HD1  LEU  57          1HD1      LEU  57 -10.798  -1.047  -2.566
  430   2HD1  LEU  57          2HD1      LEU  57 -10.159   0.585  -2.729
  431   3HD1  LEU  57          3HD1      LEU  57  -9.100  -0.810  -2.960
  432   1HD2  LEU  57          1HD2      LEU  57 -12.538  -0.593  -4.178
  433   2HD2  LEU  57          2HD2      LEU  57 -12.163  -0.075  -5.815
  434   3HD2  LEU  57          3HD2      LEU  57 -11.978   1.052  -4.466
  435    HA   PRO  58           HA       PRO  58  -8.076   2.853  -9.817
  436   1HB   PRO  58          2HB       PRO  58 -10.094   4.208 -10.981
  437   2HB   PRO  58          1HB       PRO  58  -9.702   2.539 -11.414
  438   1HG   PRO  58          2HG       PRO  58 -11.830   3.559  -9.564
  439   2HG   PRO  58          1HG       PRO  58 -11.958   2.317 -10.824
  440   1HD   PRO  58          2HD       PRO  58 -11.652   1.649  -8.200
  441   2HD   PRO  58          1HD       PRO  58 -10.950   0.709  -9.523
  442    H    ASN  59           H        ASN  59 -10.434   4.020  -7.451
  443    HA   ASN  59           HA       ASN  59  -9.378   6.731  -7.795
  444   1HB   ASN  59          2HB       ASN  59 -11.866   6.350  -7.619
  445   2HB   ASN  59          1HB       ASN  59 -11.578   5.802  -5.972
  446   1HD2  ASN  59          1HD2      ASN  59  -9.869   8.543  -7.440
  447   2HD2  ASN  59          2HD2      ASN  59 -10.605   9.725  -6.427
  448    H    VAL  60           H        VAL  60  -8.343   4.144  -6.305
  449    HA   VAL  60           HA       VAL  60  -7.461   5.554  -3.900
  450    HB   VAL  60           HB       VAL  60  -7.575   2.558  -4.374
  451   1HG1  VAL  60          1HG1      VAL  60  -6.985   4.132  -1.870
  452   2HG1  VAL  60          2HG1      VAL  60  -5.829   3.193  -2.810
  453   3HG1  VAL  60          3HG1      VAL  60  -7.145   2.378  -1.965
  454   1HG2  VAL  60          1HG2      VAL  60  -9.384   4.334  -2.778
  455   2HG2  VAL  60          2HG2      VAL  60  -9.449   2.571  -2.759
  456   3HG2  VAL  60          3HG2      VAL  60  -9.823   3.462  -4.240
  457    H    LEU  61           H        LEU  61  -5.293   5.775  -3.619
  458    HA   LEU  61           HA       LEU  61  -3.639   4.970  -5.902
  459   1HB   LEU  61          2HB       LEU  61  -3.882   7.404  -4.975
  460   2HB   LEU  61          1HB       LEU  61  -2.868   6.860  -3.665
  461    HG   LEU  61           HG       LEU  61  -2.089   7.034  -6.586
  462   1HD1  LEU  61          1HD1      LEU  61  -0.598   8.824  -5.854
  463   2HD1  LEU  61          2HD1      LEU  61  -1.272   8.700  -4.228
  464   3HD1  LEU  61          3HD1      LEU  61  -2.300   9.198  -5.573
  465   1HD2  LEU  61          1HD2      LEU  61  -0.889   5.200  -5.505
  466   2HD2  LEU  61          2HD2      LEU  61  -0.419   6.284  -4.197
  467   3HD2  LEU  61          3HD2      LEU  61   0.203   6.552  -5.830
  468    H    PHE  62           H        PHE  62  -2.325   3.251  -5.620
  469    HA   PHE  62           HA       PHE  62  -1.770   2.303  -2.880
  470   1HB   PHE  62          2HB       PHE  62  -1.837   0.719  -5.430
  471   2HB   PHE  62          1HB       PHE  62  -1.468   0.089  -3.851
  472    HD1  PHE  62           1HD      PHE  62  -4.206   1.612  -5.832
  473    HD2  PHE  62           2HD      PHE  62  -3.136  -0.669  -2.413
  474    HE1  PHE  62           1HE      PHE  62  -6.561   1.054  -5.473
  475    HE2  PHE  62           2HE      PHE  62  -5.496  -1.224  -2.036
  476    HZ   PHE  62           HZ       PHE  62  -7.214  -0.371  -3.564
  477    H    LEU  63           H        LEU  63   0.287   1.688  -2.356
  478    HA   LEU  63           HA       LEU  63   2.374   2.134  -4.365
  479   1HB   LEU  63          2HB       LEU  63   2.490   3.006  -1.493
  480   2HB   LEU  63          1HB       LEU  63   3.827   3.009  -2.606
  481    HG   LEU  63           HG       LEU  63   2.439   4.634  -3.993
  482   1HD1  LEU  63          1HD1      LEU  63   0.837   6.000  -2.684
  483   2HD1  LEU  63          2HD1      LEU  63   0.950   4.825  -1.374
  484   3HD1  LEU  63          3HD1      LEU  63   0.292   4.344  -2.937
  485   1HD2  LEU  63          1HD2      LEU  63   4.414   5.296  -2.772
  486   2HD2  LEU  63          2HD2      LEU  63   3.474   5.467  -1.289
  487   3HD2  LEU  63          3HD2      LEU  63   3.183   6.550  -2.649
  488    H    LYS  64           H        LYS  64   4.101   0.730  -4.340
  489    HA   LYS  64           HA       LYS  64   4.085  -1.396  -2.376
  490   1HB   LYS  64          2HB       LYS  64   5.205  -1.049  -5.135
  491   2HB   LYS  64          1HB       LYS  64   5.754  -2.319  -4.076
  492   1HG   LYS  64          2HG       LYS  64   2.926  -1.917  -5.041
  493   2HG   LYS  64          1HG       LYS  64   4.072  -3.045  -5.755
  494   1HD   LYS  64          2HD       LYS  64   3.090  -3.158  -2.889
  495   2HD   LYS  64          1HD       LYS  64   2.459  -4.132  -4.214
  496   1HE   LYS  64          2HE       LYS  64   4.613  -5.197  -4.517
  497   2HE   LYS  64          1HE       LYS  64   5.332  -4.163  -3.283
  498   1HZ   LYS  64          1HZ       LYS  64   3.163  -6.151  -2.746
  499   2HZ   LYS  64          2HZ       LYS  64   3.919  -5.136  -1.648
  500   3HZ   LYS  64          3HZ       LYS  64   4.821  -6.340  -2.409
  501    H    VAL  65           H        VAL  65   5.455  -0.992  -0.765
  502    HA   VAL  65           HA       VAL  65   7.893   0.514  -1.350
  503    HB   VAL  65           HB       VAL  65   6.382   0.187   1.264
  504   1HG1  VAL  65          1HG1      VAL  65   8.781   0.289   1.669
  505   2HG1  VAL  65          2HG1      VAL  65   8.008   1.785   2.198
  506   3HG1  VAL  65          3HG1      VAL  65   8.905   1.741   0.681
  507   1HG2  VAL  65          1HG2      VAL  65   5.279   1.724  -0.270
  508   2HG2  VAL  65          2HG2      VAL  65   6.784   2.615  -0.484
  509   3HG2  VAL  65          3HG2      VAL  65   5.983   2.601   1.088
  510    H    ASP  66           H        ASP  66   9.609  -0.758  -1.429
  511    HA   ASP  66           HA       ASP  66   9.471  -3.336  -0.117
  512   1HB   ASP  66          2HB       ASP  66  10.372  -3.189  -2.427
  513   2HB   ASP  66          1HB       ASP  66  11.672  -2.199  -1.770
  514    H    THR  67           H        THR  67  10.473  -3.799   1.684
  515    HA   THR  67           HA       THR  67  11.329  -1.594   3.227
  516    HB   THR  67           HB       THR  67  11.549  -3.300   5.062
  517    HG1  THR  67           1HG      THR  67  10.881  -5.420   4.543
  518   1HG2  THR  67          1HG2      THR  67   8.969  -3.362   3.473
  519   2HG2  THR  67          2HG2      THR  67   9.413  -2.128   4.654
  520   3HG2  THR  67          3HG2      THR  67   9.140  -3.789   5.175
  521    H    ASP  68           H        ASP  68  13.131  -3.801   1.311
  522    HA   ASP  68           HA       ASP  68  15.560  -3.299   2.818
  523   1HB   ASP  68          2HB       ASP  68  15.271  -5.424   1.545
  524   2HB   ASP  68          1HB       ASP  68  15.217  -4.480   0.069
  525    H    GLU  69           H        GLU  69  14.080  -2.409  -0.220
  526    HA   GLU  69           HA       GLU  69  15.877  -0.595  -1.219
  527   1HB   GLU  69          2HB       GLU  69  12.894  -0.708  -1.294
  528   2HB   GLU  69          1HB       GLU  69  13.848   0.367  -2.270
  529   1HG   GLU  69          2HG       GLU  69  13.966  -2.652  -2.362
  530   2HG   GLU  69          1HG       GLU  69  13.109  -1.637  -3.517
  531    H    LEU  70           H        LEU  70  12.878   0.102   0.716
  532    HA   LEU  70           HA       LEU  70  14.145   2.523   1.504
  533   1HB   LEU  70          2HB       LEU  70  11.297   1.663   1.287
  534   2HB   LEU  70          1HB       LEU  70  11.812   3.104   2.127
  535    HG   LEU  70           HG       LEU  70  12.175   2.541  -0.830
  536   1HD1  LEU  70          1HD1      LEU  70  10.350   4.475   0.583
  537   2HD1  LEU  70          2HD1      LEU  70   9.875   3.046  -0.353
  538   3HD1  LEU  70          3HD1      LEU  70  10.629   4.414  -1.151
  539   1HD2  LEU  70          1HD2      LEU  70  14.032   3.872   0.015
  540   2HD2  LEU  70          2HD2      LEU  70  12.902   4.982   0.785
  541   3HD2  LEU  70          3HD2      LEU  70  12.962   4.867  -0.972
  542    H    LYS  71           H        LYS  71  15.379   1.112   2.842
  543    HA   LYS  71           HA       LYS  71  14.227  -0.356   4.965
  544   1HB   LYS  71          2HB       LYS  71  16.541  -0.495   5.846
  545   2HB   LYS  71          1HB       LYS  71  16.419  -0.920   4.151
  546   1HG   LYS  71          2HG       LYS  71  17.308   1.161   3.469
  547   2HG   LYS  71          1HG       LYS  71  17.310   1.789   5.122
  548   1HD   LYS  71          2HD       LYS  71  19.547   1.132   4.461
  549   2HD   LYS  71          1HD       LYS  71  18.964   0.039   5.714
  550   1HE   LYS  71          2HE       LYS  71  18.436  -1.628   4.024
  551   2HE   LYS  71          1HE       LYS  71  18.954  -0.533   2.746
  552   1HZ   LYS  71          1HZ       LYS  71  20.672  -1.676   4.882
  553   2HZ   LYS  71          2HZ       LYS  71  21.162  -0.537   3.739
  554   3HZ   LYS  71          3HZ       LYS  71  20.699  -2.067   3.229
  555    H    SER  72           H        SER  72  15.254   2.959   4.601
  556    HA   SER  72           HA       SER  72  15.270   3.588   7.350
  557   1HB   SER  72          2HB       SER  72  15.208   5.931   6.422
  558   2HB   SER  72          1HB       SER  72  16.518   4.918   5.803
  559    HG   SER  72           HG       SER  72  14.899   6.220   4.366
  560    H    VAL  73           H        VAL  73  12.935   3.929   4.761
  561    HA   VAL  73           HA       VAL  73  10.886   5.176   6.236
  562    HB   VAL  73           HB       VAL  73  10.638   3.358   3.818
  563   1HG1  VAL  73          1HG1      VAL  73   8.689   5.383   4.915
  564   2HG1  VAL  73          2HG1      VAL  73   8.508   3.637   4.973
  565   3HG1  VAL  73          3HG1      VAL  73   8.496   4.473   3.417
  566   1HG2  VAL  73          1HG2      VAL  73  10.870   6.364   3.998
  567   2HG2  VAL  73          2HG2      VAL  73  10.580   5.448   2.520
  568   3HG2  VAL  73          3HG2      VAL  73  12.102   5.255   3.394
  569    H    ALA  74           H        ALA  74  11.561   1.798   5.527
  570    HA   ALA  74           HA       ALA  74   9.345   0.674   6.806
  571   1HB   ALA  74          1HB       ALA  74  10.613  -1.398   6.785
  572   2HB   ALA  74          2HB       ALA  74  12.088  -0.492   6.437
  573   3HB   ALA  74          3HB       ALA  74  10.785  -0.538   5.253
  574    H    SER  75           H        SER  75  12.524   1.610   8.055
  575    HA   SER  75           HA       SER  75  12.024   0.481  10.618
  576   1HB   SER  75          2HB       SER  75  14.319   0.797   9.674
  577   2HB   SER  75          1HB       SER  75  14.094   2.541   9.797
  578    HG   SER  75           HG       SER  75  14.695   2.389  11.782
  579    H    ASP  76           H        ASP  76  11.634   3.641   9.118
  580    HA   ASP  76           HA       ASP  76  11.190   5.171  11.457
  581   1HB   ASP  76          2HB       ASP  76  11.803   6.137   9.274
  582   2HB   ASP  76          1HB       ASP  76  10.245   5.651   8.624
  583    H    TRP  77           H        TRP  77   8.997   3.402   9.329
  584    HA   TRP  77           HA       TRP  77   6.745   4.262  10.878
  585   1HB   TRP  77          2HB       TRP  77   6.977   2.584   8.429
  586   2HB   TRP  77          1HB       TRP  77   5.428   2.820   9.237
  587    HD1  TRP  77           HD       TRP  77   8.143   4.828   7.349
  588    HE1  TRP  77           1HE      TRP  77   7.056   6.978   6.420
  589    HE3  TRP  77           3HE      TRP  77   3.507   4.388   9.452
  590    HZ2  TRP  77           2HZ      TRP  77   4.581   8.289   6.543
  591    HZ3  TRP  77           3HZ      TRP  77   1.837   6.133   8.991
  592    HH2  TRP  77           HH       TRP  77   2.366   8.044   7.570
  593    H    ALA  78           H        ALA  78   9.006   2.096  11.349
  594    HA   ALA  78           HA       ALA  78   9.354   0.281  12.551
  595   1HB   ALA  78          1HB       ALA  78   8.320   1.663  14.313
  596   2HB   ALA  78          2HB       ALA  78   8.068  -0.063  14.575
  597   3HB   ALA  78          3HB       ALA  78   6.758   0.934  13.943
  598    H    ILE  79           H        ILE  79   8.979  -0.778  10.467
  599    HA   ILE  79           HA       ILE  79   6.666  -2.569  10.480
  600    HB   ILE  79           HB       ILE  79   8.883  -2.287   8.418
  601   1HG1  ILE  79          2HG1      ILE  79   7.600  -0.221   8.513
  602   2HG1  ILE  79          1HG1      ILE  79   7.207  -1.085   7.034
  603   1HG2  ILE  79          1HG2      ILE  79   7.390  -3.537   6.922
  604   2HG2  ILE  79          2HG2      ILE  79   6.239  -3.732   8.242
  605   3HG2  ILE  79          3HG2      ILE  79   7.831  -4.481   8.349
  606   1HD1  ILE  79          1HD1      ILE  79   5.521  -0.951   9.534
  607   2HD1  ILE  79          2HD1      ILE  79   5.127  -1.875   8.089
  608   3HD1  ILE  79          3HD1      ILE  79   5.212  -0.120   8.007
  609    H    GLN  80           H        GLN  80   7.007  -3.940  12.020
  610    HA   GLN  80           HA       GLN  80   9.597  -5.171  12.462
  611   1HB   GLN  80          2HB       GLN  80   8.204  -4.420  14.350
  612   2HB   GLN  80          1HB       GLN  80   6.955  -5.553  13.875
  613   1HG   GLN  80          2HG       GLN  80   8.428  -7.417  14.377
  614   2HG   GLN  80          1HG       GLN  80   9.729  -6.301  14.790
  615   1HE2  GLN  80          1HE2      GLN  80   8.412  -8.326  16.442
  616   2HE2  GLN  80          2HE2      GLN  80   7.798  -7.496  17.812
  617    H    ALA  81           H        ALA  81   6.403  -6.058  11.319
  618    HA   ALA  81           HA       ALA  81   7.501  -8.671  10.539
  619   1HB   ALA  81          1HB       ALA  81   4.692  -8.112  11.505
  620   2HB   ALA  81          2HB       ALA  81   5.938  -8.981  12.401
  621   3HB   ALA  81          3HB       ALA  81   5.278  -9.664  10.913
  622    H    MET  82           H        MET  82   7.332  -9.121   8.453
  623    HA   MET  82           HA       MET  82   5.931  -7.140   6.805
  624   1HB   MET  82          2HB       MET  82   8.272  -8.923   6.175
  625   2HB   MET  82          1HB       MET  82   7.562  -7.751   5.078
  626   1HG   MET  82          2HG       MET  82   8.204  -5.928   6.536
  627   2HG   MET  82          1HG       MET  82   8.796  -7.083   7.730
  628   1HE   MET  82          1HE       MET  82  11.911  -8.600   6.005
  629   2HE   MET  82          2HE       MET  82  10.273  -9.244   5.961
  630   3HE   MET  82          3HE       MET  82  10.910  -8.561   7.456
  631    HA   PRO  83           HA       PRO  83   5.382  -6.887   4.756
  632   1HB   PRO  83          2HB       PRO  83   2.855  -7.228   3.430
  633   2HB   PRO  83          1HB       PRO  83   4.460  -7.140   2.703
  634   1HG   PRO  83          2HG       PRO  83   2.904  -9.392   2.704
  635   2HG   PRO  83          1HG       PRO  83   4.676  -9.406   2.604
  636   1HD   PRO  83          2HD       PRO  83   2.907  -9.852   4.978
  637   2HD   PRO  83          1HD       PRO  83   4.367 -10.727   4.470
  638    H    THR  84           H        THR  84   4.225  -4.984   5.213
  639    HA   THR  84           HA       THR  84   1.964  -5.323   7.042
  640    HB   THR  84           HB       THR  84   3.897  -3.108   6.849
  641    HG1  THR  84           1HG      THR  84   4.136  -5.462   8.111
  642   1HG2  THR  84          1HG2      THR  84   2.886  -2.310   8.974
  643   2HG2  THR  84          2HG2      THR  84   1.712  -3.626   8.836
  644   3HG2  THR  84          3HG2      THR  84   1.743  -2.342   7.625
  645    H    PHE  85           H        PHE  85   0.055  -4.541   6.245
  646    HA   PHE  85           HA       PHE  85   0.185  -2.787   3.949
  647   1HB   PHE  85          2HB       PHE  85  -2.062  -4.542   5.006
  648   2HB   PHE  85          1HB       PHE  85  -2.061  -3.557   3.562
  649    HD1  PHE  85           1HD      PHE  85  -0.963  -4.269   1.566
  650    HD2  PHE  85           2HD      PHE  85  -0.730  -6.587   5.121
  651    HE1  PHE  85           1HE      PHE  85  -0.077  -6.162   0.273
  652    HE2  PHE  85           2HE      PHE  85   0.160  -8.482   3.833
  653    HZ   PHE  85           HZ       PHE  85   0.485  -8.264   1.404
  654    H    MET  86           H        MET  86  -0.329  -0.734   4.360
  655    HA   MET  86           HA       MET  86  -1.931  -0.217   6.762
  656   1HB   MET  86          2HB       MET  86   0.325   0.647   7.007
  657   2HB   MET  86          1HB       MET  86   0.159   1.550   5.504
  658   1HG   MET  86          2HG       MET  86  -1.611   2.904   6.523
  659   2HG   MET  86          1HG       MET  86  -1.449   1.985   8.014
  660   1HE   MET  86          1HE       MET  86   0.312   4.510   5.552
  661   2HE   MET  86          2HE       MET  86   1.478   3.186   5.626
  662   3HE   MET  86          3HE       MET  86   1.868   4.744   6.349
  663    H    PHE  87           H        PHE  87  -3.855   0.567   6.446
  664    HA   PHE  87           HA       PHE  87  -4.518   1.659   3.873
  665   1HB   PHE  87          2HB       PHE  87  -6.023   0.259   6.043
  666   2HB   PHE  87          1HB       PHE  87  -6.800   1.038   4.688
  667    HD1  PHE  87           1HD      PHE  87  -6.896  -0.047   2.567
  668    HD2  PHE  87           2HD      PHE  87  -4.499  -1.695   5.669
  669    HE1  PHE  87           1HE      PHE  87  -6.590  -2.086   1.239
  670    HE2  PHE  87           2HE      PHE  87  -4.187  -3.744   4.344
  671    HZ   PHE  87           HZ       PHE  87  -5.234  -3.939   2.123
  672    H    LEU  88           H        LEU  88  -4.795   3.810   3.888
  673    HA   LEU  88           HA       LEU  88  -5.822   4.904   6.301
  674   1HB   LEU  88          2HB       LEU  88  -4.254   6.837   6.209
  675   2HB   LEU  88          1HB       LEU  88  -3.472   5.316   6.532
  676    HG   LEU  88           HG       LEU  88  -3.413   6.708   3.849
  677   1HD1  LEU  88          1HD1      LEU  88  -1.138   7.380   4.478
  678   2HD1  LEU  88          2HD1      LEU  88  -1.366   6.651   6.069
  679   3HD1  LEU  88          3HD1      LEU  88  -2.326   8.050   5.598
  680   1HD2  LEU  88          1HD2      LEU  88  -2.975   4.291   3.725
  681   2HD2  LEU  88          2HD2      LEU  88  -1.751   4.451   4.986
  682   3HD2  LEU  88          3HD2      LEU  88  -1.503   5.213   3.416
  683    H    LYS  89           H        LYS  89  -6.531   7.242   5.840
  684    HA   LYS  89           HA       LYS  89  -7.705   7.360   3.137
  685   1HB   LYS  89          2HB       LYS  89  -9.362   6.448   4.634
  686   2HB   LYS  89          1HB       LYS  89  -9.072   7.748   5.780
  687   1HG   LYS  89          2HG       LYS  89  -9.943   9.358   4.173
  688   2HG   LYS  89          1HG       LYS  89 -10.265   8.054   3.022
  689   1HD   LYS  89          2HD       LYS  89 -11.814   7.046   4.623
  690   2HD   LYS  89          1HD       LYS  89 -11.458   8.326   5.783
  691   1HE   LYS  89          2HE       LYS  89 -12.327   9.984   4.197
  692   2HE   LYS  89          1HE       LYS  89 -12.709   8.700   3.060
  693   1HZ   LYS  89          1HZ       LYS  89 -13.841   8.992   5.773
  694   2HZ   LYS  89          2HZ       LYS  89 -14.290   7.796   4.660
  695   3HZ   LYS  89          3HZ       LYS  89 -14.612   9.429   4.354
  696    H    GLU  90           H        GLU  90  -7.106   9.110   2.235
  697    HA   GLU  90           HA       GLU  90  -6.607  11.107   1.757
  698   1HB   GLU  90          2HB       GLU  90  -7.840  11.875   4.373
  699   2HB   GLU  90          1HB       GLU  90  -7.429  13.039   3.133
  700   1HG   GLU  90          2HG       GLU  90  -9.098  11.998   1.665
  701   2HG   GLU  90          1HG       GLU  90  -9.521  10.873   2.960
  702    H    GLY  91           H        GLY  91  -4.881   9.481   3.585
  703   1HA   GLY  91          2HA       GLY  91  -2.693   9.834   4.388
  704   2HA   GLY  91          1HA       GLY  91  -3.061  11.538   4.570
  705    H    LYS  92           H        LYS  92  -5.666  10.017   5.958
  706    HA   LYS  92           HA       LYS  92  -4.438  10.117   8.630
  707   1HB   LYS  92          2HB       LYS  92  -7.367   9.776   7.889
  708   2HB   LYS  92          1HB       LYS  92  -6.732   9.910   9.507
  709   1HG   LYS  92          2HG       LYS  92  -7.733  11.975   9.016
  710   2HG   LYS  92          1HG       LYS  92  -6.000  12.250   8.883
  711   1HD   LYS  92          2HD       LYS  92  -6.139  12.179   6.478
  712   2HD   LYS  92          1HD       LYS  92  -7.838  11.703   6.556
  713   1HE   LYS  92          2HE       LYS  92  -8.364  13.803   7.660
  714   2HE   LYS  92          1HE       LYS  92  -6.686  14.315   7.533
  715   1HZ   LYS  92          1HZ       LYS  92  -6.900  14.192   5.123
  716   2HZ   LYS  92          2HZ       LYS  92  -7.981  15.280   5.799
  717   3HZ   LYS  92          3HZ       LYS  92  -8.548  13.780   5.256
  718    H    ILE  93           H        ILE  93  -4.146   8.267   9.799
  719    HA   ILE  93           HA       ILE  93  -4.230   5.806   8.340
  720    HB   ILE  93           HB       ILE  93  -3.524   6.287  11.253
  721   1HG1  ILE  93          2HG1      ILE  93  -1.746   6.019   8.812
  722   2HG1  ILE  93          1HG1      ILE  93  -2.082   7.517   9.667
  723   1HG2  ILE  93          1HG2      ILE  93  -4.115   3.945  10.835
  724   2HG2  ILE  93          2HG2      ILE  93  -2.383   4.106  11.127
  725   3HG2  ILE  93          3HG2      ILE  93  -2.981   3.891   9.482
  726   1HD1  ILE  93          1HD1      ILE  93   0.102   6.637  10.256
  727   2HD1  ILE  93          2HD1      ILE  93  -0.632   5.124  10.781
  728   3HD1  ILE  93          3HD1      ILE  93  -0.969   6.618  11.656
  729    H    LEU  94           H        LEU  94  -5.825   4.309   8.258
  730    HA   LEU  94           HA       LEU  94  -7.992   4.577  10.179
  731   1HB   LEU  94          2HB       LEU  94  -7.855   3.420   7.441
  732   2HB   LEU  94          1HB       LEU  94  -9.221   3.127   8.462
  733    HG   LEU  94           HG       LEU  94  -8.305   5.748   7.273
  734   1HD1  LEU  94          1HD1      LEU  94 -10.540   5.706   6.259
  735   2HD1  LEU  94          2HD1      LEU  94 -10.817   4.117   6.972
  736   3HD1  LEU  94          3HD1      LEU  94  -9.542   4.343   5.771
  737   1HD2  LEU  94          1HD2      LEU  94  -9.047   6.203   9.559
  738   2HD2  LEU  94          2HD2      LEU  94 -10.526   5.291   9.270
  739   3HD2  LEU  94          3HD2      LEU  94 -10.235   6.792   8.396
  740    H    ASP  95           H        ASP  95  -6.294   1.951   8.370
  741    HA   ASP  95           HA       ASP  95  -6.316   0.413  10.730
  742   1HB   ASP  95          2HB       ASP  95  -7.315  -1.507   9.599
  743   2HB   ASP  95          1HB       ASP  95  -8.503  -0.277   9.989
  744    H    LYS  96           H        LYS  96  -5.191  -1.565  10.391
  745    HA   LYS  96           HA       LYS  96  -3.299  -1.441   8.228
  746   1HB   LYS  96          2HB       LYS  96  -2.533   0.298   9.770
  747   2HB   LYS  96          1HB       LYS  96  -2.565  -0.841  11.086
  748   1HG   LYS  96          2HG       LYS  96  -0.811  -1.074   8.702
  749   2HG   LYS  96          1HG       LYS  96  -0.349  -0.187  10.148
  750   1HD   LYS  96          2HD       LYS  96  -1.039  -3.157  10.091
  751   2HD   LYS  96          1HD       LYS  96   0.599  -2.523  10.030
  752   1HE   LYS  96          2HE       LYS  96   0.088  -3.288  12.276
  753   2HE   LYS  96          1HE       LYS  96   0.302  -1.552  12.277
  754   1HZ   LYS  96          1HZ       LYS  96  -2.114  -1.277  12.534
  755   2HZ   LYS  96          2HZ       LYS  96  -1.571  -2.354  13.666
  756   3HZ   LYS  96          3HZ       LYS  96  -2.359  -2.929  12.314
  757    H    VAL  97           H        VAL  97  -2.639  -3.400   7.763
  758    HA   VAL  97           HA       VAL  97  -3.285  -5.601   9.612
  759    HB   VAL  97           HB       VAL  97  -3.183  -5.595   6.577
  760   1HG1  VAL  97          1HG1      VAL  97  -2.520  -7.758   7.481
  761   2HG1  VAL  97          2HG1      VAL  97  -4.090  -7.858   6.689
  762   3HG1  VAL  97          3HG1      VAL  97  -3.997  -7.819   8.447
  763   1HG2  VAL  97          1HG2      VAL  97  -5.554  -5.770   8.434
  764   2HG2  VAL  97          2HG2      VAL  97  -5.613  -5.930   6.676
  765   3HG2  VAL  97          3HG2      VAL  97  -5.126  -4.401   7.409
  766    H    VAL  98           H        VAL  98  -1.516  -6.553  10.377
  767    HA   VAL  98           HA       VAL  98   0.956  -6.329   8.859
  768    HB   VAL  98           HB       VAL  98   0.998  -5.613  11.248
  769   1HG1  VAL  98          1HG1      VAL  98   0.974  -7.262  13.050
  770   2HG1  VAL  98          2HG1      VAL  98   0.541  -8.515  11.893
  771   3HG1  VAL  98          3HG1      VAL  98  -0.576  -7.196  12.213
  772   1HG2  VAL  98          1HG2      VAL  98   2.726  -7.979  10.603
  773   2HG2  VAL  98          2HG2      VAL  98   3.045  -6.794  11.873
  774   3HG2  VAL  98          3HG2      VAL  98   3.047  -6.298  10.181
  775    H    GLY  99           H        GLY  99   1.931  -8.041   7.945
  776   1HA   GLY  99          2HA       GLY  99   2.495 -10.272   7.657
  777   2HA   GLY  99          1HA       GLY  99   1.129 -10.743   8.668
  778    H    ALA 100           H        ALA 100   1.942 -11.584   5.903
  779    HA   ALA 100           HA       ALA 100  -0.113 -10.455   4.230
  780   1HB   ALA 100          1HB       ALA 100   1.980 -11.290   3.229
  781   2HB   ALA 100          2HB       ALA 100   0.579 -12.153   2.591
  782   3HB   ALA 100          3HB       ALA 100   1.603 -12.913   3.806
  783    H    LYS 101           H        LYS 101  -2.105 -10.856   4.739
  784    HA   LYS 101           HA       LYS 101  -2.848 -13.569   5.449
  785   1HB   LYS 101          2HB       LYS 101  -3.940 -10.940   6.413
  786   2HB   LYS 101          1HB       LYS 101  -4.622 -12.516   6.793
  787   1HG   LYS 101          2HG       LYS 101  -2.629 -13.162   7.967
  788   2HG   LYS 101          1HG       LYS 101  -1.802 -11.681   7.462
  789   1HD   LYS 101          2HD       LYS 101  -2.463 -11.627   9.691
  790   2HD   LYS 101          1HD       LYS 101  -3.405 -10.457   8.743
  791   1HE   LYS 101          2HE       LYS 101  -5.288 -12.057   8.718
  792   2HE   LYS 101          1HE       LYS 101  -4.327 -13.176   9.693
  793   1HZ   LYS 101          1HZ       LYS 101  -5.894 -11.930  11.046
  794   2HZ   LYS 101          2HZ       LYS 101  -5.234 -10.475  10.513
  795   3HZ   LYS 101          3HZ       LYS 101  -4.311 -11.515  11.475
  796    H    LYS 102           H        LYS 102  -3.956 -14.324   3.634
  797    HA   LYS 102           HA       LYS 102  -4.870 -12.533   1.687
  798   1HB   LYS 102          2HB       LYS 102  -3.961 -14.800   1.231
  799   2HB   LYS 102          1HB       LYS 102  -5.423 -15.462   1.946
  800   1HG   LYS 102          2HG       LYS 102  -6.780 -14.502   0.286
  801   2HG   LYS 102          1HG       LYS 102  -5.425 -13.613  -0.402
  802   1HD   LYS 102          2HD       LYS 102  -5.826 -15.470  -1.874
  803   2HD   LYS 102          1HD       LYS 102  -4.379 -15.858  -0.960
  804   1HE   LYS 102          2HE       LYS 102  -7.160 -16.914  -0.363
  805   2HE   LYS 102          1HE       LYS 102  -5.937 -17.770  -1.274
  806   1HZ   LYS 102          1HZ       LYS 102  -4.532 -17.763   0.716
  807   2HZ   LYS 102          2HZ       LYS 102  -5.980 -18.571   0.927
  808   3HZ   LYS 102          3HZ       LYS 102  -5.785 -17.076   1.637
  809    H    ASP 103           H        ASP 103  -6.450 -14.294   4.259
  810    HA   ASP 103           HA       ASP 103  -9.101 -13.759   3.317
  811   1HB   ASP 103          2HB       ASP 103  -8.757 -15.650   4.803
  812   2HB   ASP 103          1HB       ASP 103  -8.125 -14.591   6.057
  813    H    GLU 104           H        GLU 104  -7.101 -12.335   5.846
  814    HA   GLU 104           HA       GLU 104  -9.102 -10.429   6.506
  815   1HB   GLU 104          2HB       GLU 104  -7.548 -11.109   8.233
  816   2HB   GLU 104          1HB       GLU 104  -6.191 -10.518   7.288
  817   1HG   GLU 104          2HG       GLU 104  -6.835  -8.263   7.616
  818   2HG   GLU 104          1HG       GLU 104  -8.391  -8.740   8.290
  819    H    LEU 105           H        LEU 105  -6.379 -10.329   4.325
  820    HA   LEU 105           HA       LEU 105  -6.275  -7.563   3.916
  821   1HB   LEU 105          2HB       LEU 105  -4.701  -9.293   3.023
  822   2HB   LEU 105          1HB       LEU 105  -5.911  -9.715   1.872
  823    HG   LEU 105           HG       LEU 105  -5.865  -7.526   0.858
  824   1HD1  LEU 105          1HD1      LEU 105  -3.621  -6.945   2.800
  825   2HD1  LEU 105          2HD1      LEU 105  -5.205  -6.166   2.773
  826   3HD1  LEU 105          3HD1      LEU 105  -4.077  -5.916   1.445
  827   1HD2  LEU 105          1HD2      LEU 105  -4.421  -9.267  -0.021
  828   2HD2  LEU 105          2HD2      LEU 105  -3.138  -8.789   1.092
  829   3HD2  LEU 105          3HD2      LEU 105  -3.652  -7.690  -0.190
  830    H    GLN 106           H        GLN 106  -8.002 -10.043   2.211
  831    HA   GLN 106           HA       GLN 106  -9.430  -8.359   0.451
  832   1HB   GLN 106          2HB       GLN 106 -10.202 -11.096   1.443
  833   2HB   GLN 106          1HB       GLN 106 -10.981 -10.258   0.108
  834   1HG   GLN 106          2HG       GLN 106  -8.891 -10.228  -1.110
  835   2HG   GLN 106          1HG       GLN 106  -8.089 -11.052   0.223
  836   1HE2  GLN 106          1HE2      GLN 106  -8.538 -13.175   0.599
  837   2HE2  GLN 106          2HE2      GLN 106  -9.297 -14.215  -0.555
  838    H    SER 107           H        SER 107 -10.227  -9.466   3.696
  839    HA   SER 107           HA       SER 107 -12.851  -8.366   3.670
  840   1HB   SER 107          2HB       SER 107 -11.035  -8.954   6.017
  841   2HB   SER 107          1HB       SER 107 -12.776  -8.674   6.106
  842    HG   SER 107           HG       SER 107 -12.169 -10.861   6.113
  843    H    THR 108           H        THR 108  -9.693  -7.137   4.358
  844    HA   THR 108           HA       THR 108 -10.515  -4.674   5.475
  845    HB   THR 108           HB       THR 108  -7.939  -5.477   4.108
  846    HG1  THR 108           1HG      THR 108  -8.350  -6.687   5.974
  847   1HG2  THR 108          1HG2      THR 108  -6.963  -3.564   5.312
  848   2HG2  THR 108          2HG2      THR 108  -8.563  -3.115   5.898
  849   3HG2  THR 108          3HG2      THR 108  -8.203  -3.048   4.177
  850    H    ILE 109           H        ILE 109  -9.838  -5.833   2.229
  851    HA   ILE 109           HA       ILE 109  -9.979  -3.333   0.941
  852    HB   ILE 109           HB       ILE 109 -10.651  -6.075  -0.178
  853   1HG1  ILE 109          2HG1      ILE 109  -8.359  -5.942   0.667
  854   2HG1  ILE 109          1HG1      ILE 109  -8.360  -6.039  -1.087
  855   1HG2  ILE 109          1HG2      ILE 109 -10.248  -5.062  -2.395
  856   2HG2  ILE 109          2HG2      ILE 109 -10.048  -3.490  -1.609
  857   3HG2  ILE 109          3HG2      ILE 109 -11.607  -4.305  -1.553
  858   1HD1  ILE 109          1HD1      ILE 109  -7.970  -3.543   0.554
  859   2HD1  ILE 109          2HD1      ILE 109  -7.928  -3.626  -1.211
  860   3HD1  ILE 109          3HD1      ILE 109  -6.700  -4.453  -0.253
  861    H    ALA 110           H        ALA 110 -12.471  -5.856   1.394
  862    HA   ALA 110           HA       ALA 110 -14.581  -4.342   0.281
  863   1HB   ALA 110          1HB       ALA 110 -16.066  -5.953   1.358
  864   2HB   ALA 110          2HB       ALA 110 -14.720  -6.540   2.344
  865   3HB   ALA 110          3HB       ALA 110 -14.695  -6.760   0.596
  866    H    LYS 111           H        LYS 111 -13.210  -4.407   3.427
  867    HA   LYS 111           HA       LYS 111 -15.066  -3.050   5.003
  868   1HB   LYS 111          2HB       LYS 111 -12.849  -4.084   5.618
  869   2HB   LYS 111          1HB       LYS 111 -12.172  -2.675   4.874
  870   1HG   LYS 111          2HG       LYS 111 -13.127  -1.204   6.515
  871   2HG   LYS 111          1HG       LYS 111 -13.916  -2.571   7.316
  872   1HD   LYS 111          2HD       LYS 111 -11.728  -3.577   7.762
  873   2HD   LYS 111          1HD       LYS 111 -10.940  -2.215   6.971
  874   1HE   LYS 111          2HE       LYS 111 -10.857  -1.933   9.370
  875   2HE   LYS 111          1HE       LYS 111 -11.903  -0.716   8.653
  876   1HZ   LYS 111          1HZ       LYS 111 -12.840  -1.664  10.653
  877   2HZ   LYS 111          2HZ       LYS 111 -12.836  -3.202   9.975
  878   3HZ   LYS 111          3HZ       LYS 111 -13.832  -1.999   9.331
  879    H    HIS 112           H        HIS 112 -12.518  -1.857   2.873
  880    HA   HIS 112           HA       HIS 112 -13.160   0.873   3.350
  881   1HB   HIS 112          2HB       HIS 112 -11.170  -0.481   1.585
  882   2HB   HIS 112          1HB       HIS 112 -11.490   1.240   1.481
  883    HD1  HIS 112           1HD      HIS 112 -10.406   2.717   3.210
  884    HD2  HIS 112           2HD      HIS 112 -10.024  -1.309   4.097
  885    HE1  HIS 112           1HE      HIS 112  -8.775   2.593   5.108
  886    HE2  HIS 112           2HE      HIS 112  -8.911   0.237   5.857
  887    H    LEU 113           H        LEU 113 -14.354  -1.484   1.020
  888    HA   LEU 113           HA       LEU 113 -15.022   0.329  -0.952
  889   1HB   LEU 113          2HB       LEU 113 -15.553  -2.407  -0.178
  890   2HB   LEU 113          1HB       LEU 113 -16.846  -1.678  -1.083
  891    HG   LEU 113           HG       LEU 113 -15.380  -2.956  -2.555
  892   1HD1  LEU 113          1HD1      LEU 113 -14.950  -0.014  -2.982
  893   2HD1  LEU 113          2HD1      LEU 113 -16.349  -0.952  -3.489
  894   3HD1  LEU 113          3HD1      LEU 113 -14.767  -1.281  -4.194
  895   1HD2  LEU 113          1HD2      LEU 113 -13.149  -1.176  -1.594
  896   2HD2  LEU 113          2HD2      LEU 113 -13.027  -2.389  -2.872
  897   3HD2  LEU 113          3HD2      LEU 113 -13.343  -2.883  -1.211
  898    H    ALA 114           H        ALA 114 -16.355   1.974  -0.680
  899    HA   ALA 114           HA       ALA 114 -18.877   1.559   0.695
  900   1HB   ALA 114          1HB       ALA 114 -18.635   3.655   1.949
  901   2HB   ALA 114          2HB       ALA 114 -16.991   3.837   1.330
  902   3HB   ALA 114          3HB       ALA 114 -17.388   2.493   2.402
  Start of MODEL   13
    1    H    MET   1           H        MET   1  -2.375  13.324 -19.806
    2    HA   MET   1           HA       MET   1  -4.367  12.846 -17.812
    3   1HB   MET   1          2HB       MET   1  -3.878  11.744 -20.554
    4   2HB   MET   1          1HB       MET   1  -5.008  10.958 -19.475
    5   1HG   MET   1          2HG       MET   1  -6.097  12.409 -21.101
    6   2HG   MET   1          1HG       MET   1  -6.419  12.893 -19.454
    7   1HE   MET   1          1HE       MET   1  -6.171  15.307 -18.621
    8   2HE   MET   1          2HE       MET   1  -4.914  16.412 -19.172
    9   3HE   MET   1          3HE       MET   1  -4.468  14.899 -18.387
   10    H    ALA   2           H        ALA   2  -3.604  11.966 -16.155
   11    HA   ALA   2           HA       ALA   2  -1.735   9.734 -16.400
   12   1HB   ALA   2          1HB       ALA   2  -1.049  11.559 -14.924
   13   2HB   ALA   2          2HB       ALA   2  -1.262  10.055 -14.029
   14   3HB   ALA   2          3HB       ALA   2  -2.494  11.314 -13.945
   15    H    SER   3           H        SER   3  -2.854   7.975 -16.762
   16    HA   SER   3           HA       SER   3  -5.304   7.489 -15.340
   17   1HB   SER   3          2HB       SER   3  -5.123   6.908 -17.755
   18   2HB   SER   3          1HB       SER   3  -3.812   5.798 -17.381
   19    HG   SER   3           HG       SER   3  -6.497   5.643 -16.519
   20    H    GLU   4           H        GLU   4  -4.412   7.447 -13.263
   21    HA   GLU   4           HA       GLU   4  -2.399   5.467 -12.633
   22   1HB   GLU   4          2HB       GLU   4  -2.558   7.790 -11.572
   23   2HB   GLU   4          1HB       GLU   4  -3.953   7.190 -10.696
   24   1HG   GLU   4          2HG       GLU   4  -2.054   7.082  -9.264
   25   2HG   GLU   4          1HG       GLU   4  -2.495   5.432  -9.705
   26    H    GLU   5           H        GLU   5  -3.637   3.688 -13.320
   27    HA   GLU   5           HA       GLU   5  -5.145   2.432 -11.253
   28   1HB   GLU   5          2HB       GLU   5  -7.111   1.967 -12.720
   29   2HB   GLU   5          1HB       GLU   5  -6.971   3.660 -12.266
   30   1HG   GLU   5          2HG       GLU   5  -6.000   4.150 -14.461
   31   2HG   GLU   5          1HG       GLU   5  -6.173   2.454 -14.906
   32    H    GLY   6           H        GLY   6  -5.082   0.213 -11.507
   33   1HA   GLY   6          2HA       GLY   6  -4.339  -1.799 -12.393
   34   2HA   GLY   6          1HA       GLY   6  -4.212  -1.005 -13.961
   35    H    GLN   7           H        GLN   7  -2.689   0.590 -11.445
   36    HA   GLN   7           HA       GLN   7  -0.159  -0.672 -11.804
   37   1HB   GLN   7          2HB       GLN   7   0.888   1.634 -12.189
   38   2HB   GLN   7          1HB       GLN   7   0.180   0.794 -13.550
   39   1HG   GLN   7          2HG       GLN   7  -1.837   2.211 -13.338
   40   2HG   GLN   7          1HG       GLN   7  -1.102   3.029 -11.964
   41   1HE2  GLN   7          1HE2      GLN   7   0.403   4.548 -12.315
   42   2HE2  GLN   7          2HE2      GLN   7   0.859   5.166 -13.861
   43    H    VAL   8           H        VAL   8   1.295  -0.160 -10.342
   44    HA   VAL   8           HA       VAL   8   0.235   0.968  -7.829
   45    HB   VAL   8           HB       VAL   8   2.273  -1.263  -8.192
   46   1HG1  VAL   8          1HG1      VAL   8   0.990  -0.189  -5.698
   47   2HG1  VAL   8          2HG1      VAL   8   2.680  -0.008  -6.178
   48   3HG1  VAL   8          3HG1      VAL   8   2.028  -1.607  -5.797
   49   1HG2  VAL   8          1HG2      VAL   8   0.562  -2.773  -7.296
   50   2HG2  VAL   8          2HG2      VAL   8   0.046  -2.037  -8.814
   51   3HG2  VAL   8          3HG2      VAL   8  -0.595  -1.444  -7.281
   52    H    ILE   9           H        ILE   9   1.654   2.431  -6.754
   53    HA   ILE   9           HA       ILE   9   3.872   3.286  -8.391
   54    HB   ILE   9           HB       ILE   9   2.840   4.439  -5.787
   55   1HG1  ILE   9          2HG1      ILE   9   2.230   6.408  -7.324
   56   2HG1  ILE   9          1HG1      ILE   9   2.447   5.295  -8.646
   57   1HG2  ILE   9          1HG2      ILE   9   5.195   4.894  -6.026
   58   2HG2  ILE   9          2HG2      ILE   9   4.281   6.386  -6.283
   59   3HG2  ILE   9          3HG2      ILE   9   4.943   5.507  -7.662
   60   1HD1  ILE   9          1HD1      ILE   9   0.091   5.509  -8.073
   61   2HD1  ILE   9          2HD1      ILE   9   0.434   4.997  -6.424
   62   3HD1  ILE   9          3HD1      ILE   9   0.658   3.867  -7.761
   63    H    ALA  10           H        ALA  10   5.728   2.261  -8.119
   64    HA   ALA  10           HA       ALA  10   6.277   0.962  -5.580
   65   1HB   ALA  10          1HB       ALA  10   7.781   0.855  -8.194
   66   2HB   ALA  10          2HB       ALA  10   6.604  -0.332  -7.633
   67   3HB   ALA  10          3HB       ALA  10   8.125  -0.117  -6.766
   68    H    CYS  11           H        CYS  11   7.196   2.236  -4.074
   69    HA   CYS  11           HA       CYS  11   8.853   4.420  -4.942
   70   1HB   CYS  11          2HB       CYS  11   8.123   3.668  -2.133
   71   2HB   CYS  11          1HB       CYS  11   8.711   5.161  -2.767
   72    HG   CYS  11           HG       CYS  11   5.683   4.034  -3.836
   73    H    HIS  12           H        HIS  12  10.922   4.091  -5.096
   74    HA   HIS  12           HA       HIS  12  12.199   2.070  -3.367
   75   1HB   HIS  12          2HB       HIS  12  13.054   3.065  -6.094
   76   2HB   HIS  12          1HB       HIS  12  13.960   1.922  -5.112
   77    HD1  HIS  12           1HD      HIS  12  13.180  -0.570  -5.219
   78    HD2  HIS  12           2HD      HIS  12  10.682   2.063  -7.261
   79    HE1  HIS  12           1HE      HIS  12  11.617  -1.993  -6.518
   80    HE2  HIS  12           2HE      HIS  12  10.419  -0.378  -8.005
   81    H    THR  13           H        THR  13  11.538   5.099  -3.309
   82    HA   THR  13           HA       THR  13  14.179   5.936  -2.366
   83    HB   THR  13           HB       THR  13  12.558   7.830  -3.926
   84    HG1  THR  13           1HG      THR  13  14.556   6.044  -5.087
   85   1HG2  THR  13          1HG2      THR  13  14.766   8.800  -4.443
   86   2HG2  THR  13          2HG2      THR  13  15.507   7.461  -3.562
   87   3HG2  THR  13          3HG2      THR  13  14.476   8.616  -2.705
   88    H    VAL  14           H        VAL  14  13.945   7.662  -0.917
   89    HA   VAL  14           HA       VAL  14  11.438   7.638   0.502
   90    HB   VAL  14           HB       VAL  14  13.587   7.689   1.763
   91   1HG1  VAL  14          1HG1      VAL  14  13.825  10.517   0.806
   92   2HG1  VAL  14          2HG1      VAL  14  14.872   9.174   0.362
   93   3HG1  VAL  14          3HG1      VAL  14  14.845   9.762   2.027
   94   1HG2  VAL  14          1HG2      VAL  14  11.773  10.030   2.347
   95   2HG2  VAL  14          2HG2      VAL  14  12.934   9.336   3.479
   96   3HG2  VAL  14          3HG2      VAL  14  11.565   8.375   2.920
   97    H    GLU  15           H        GLU  15  13.006   9.684  -1.765
   98    HA   GLU  15           HA       GLU  15  11.654  12.108  -1.503
   99   1HB   GLU  15          2HB       GLU  15  13.474  11.734  -3.117
  100   2HB   GLU  15          1HB       GLU  15  12.439  10.652  -4.034
  101   1HG   GLU  15          2HG       GLU  15  10.885  12.576  -4.392
  102   2HG   GLU  15          1HG       GLU  15  12.103  13.611  -3.648
  103    H    THR  16           H        THR  16  10.836   9.252  -3.455
  104    HA   THR  16           HA       THR  16   8.360  10.144  -4.410
  105    HB   THR  16           HB       THR  16   9.305   7.297  -4.024
  106    HG1  THR  16           1HG      THR  16   9.928   9.330  -5.847
  107   1HG2  THR  16          1HG2      THR  16   7.906   6.857  -6.004
  108   2HG2  THR  16          2HG2      THR  16   7.434   8.552  -6.053
  109   3HG2  THR  16          3HG2      THR  16   6.936   7.539  -4.699
  110    H    TRP  17           H        TRP  17   9.312   8.156  -1.653
  111    HA   TRP  17           HA       TRP  17   6.857   7.341  -0.728
  112   1HB   TRP  17          2HB       TRP  17   8.870   6.446   0.206
  113   2HB   TRP  17          1HB       TRP  17   9.396   8.040   0.727
  114    HD1  TRP  17           HD       TRP  17   9.223   8.292   3.228
  115    HE1  TRP  17           1HE      TRP  17   7.688   7.464   5.075
  116    HE3  TRP  17           3HE      TRP  17   5.991   5.577   0.371
  117    HZ2  TRP  17           2HZ      TRP  17   5.342   5.856   5.304
  118    HZ3  TRP  17           3HZ      TRP  17   4.130   4.444   1.461
  119    HH2  TRP  17           HH       TRP  17   3.803   4.574   3.888
  120    H    ASN  18           H        ASN  18   8.618  10.277   0.244
  121    HA   ASN  18           HA       ASN  18   6.497  11.250   1.867
  122   1HB   ASN  18          2HB       ASN  18   8.844  12.010   2.124
  123   2HB   ASN  18          1HB       ASN  18   8.727  12.823   0.572
  124   1HD2  ASN  18          1HD2      ASN  18   9.067  14.866   1.404
  125   2HD2  ASN  18          2HD2      ASN  18   7.911  15.692   2.369
  126    H    GLU  19           H        GLU  19   7.519  11.913  -1.427
  127    HA   GLU  19           HA       GLU  19   5.811  14.037  -1.996
  128   1HB   GLU  19          2HB       GLU  19   7.737  13.503  -3.368
  129   2HB   GLU  19          1HB       GLU  19   7.002  11.988  -3.856
  130   1HG   GLU  19          2HG       GLU  19   5.271  13.177  -5.053
  131   2HG   GLU  19          1HG       GLU  19   5.915  14.716  -4.489
  132    H    GLN  20           H        GLN  20   5.252  10.500  -2.558
  133    HA   GLN  20           HA       GLN  20   2.830  10.857  -3.791
  134   1HB   GLN  20          2HB       GLN  20   4.173   8.664  -2.405
  135   2HB   GLN  20          1HB       GLN  20   2.564   8.451  -3.079
  136   1HG   GLN  20          2HG       GLN  20   5.071   9.224  -4.576
  137   2HG   GLN  20          1HG       GLN  20   4.292   7.642  -4.615
  138   1HE2  GLN  20          1HE2      GLN  20   2.348   7.418  -5.714
  139   2HE2  GLN  20          2HE2      GLN  20   1.803   8.567  -6.880
  140    H    LEU  21           H        LEU  21   3.664  10.421  -0.304
  141    HA   LEU  21           HA       LEU  21   1.030  10.133   0.485
  142   1HB   LEU  21          2HB       LEU  21   3.553  10.972   1.703
  143   2HB   LEU  21          1HB       LEU  21   2.089  10.852   2.635
  144    HG   LEU  21           HG       LEU  21   3.616   8.619   1.263
  145   1HD1  LEU  21          1HD1      LEU  21   4.622   9.389   3.321
  146   2HD1  LEU  21          2HD1      LEU  21   3.952   7.772   3.520
  147   3HD1  LEU  21          3HD1      LEU  21   3.092   9.172   4.175
  148   1HD2  LEU  21          1HD2      LEU  21   1.032   8.445   2.825
  149   2HD2  LEU  21          2HD2      LEU  21   1.980   7.074   2.260
  150   3HD2  LEU  21          3HD2      LEU  21   1.220   8.155   1.091
  151    H    GLN  22           H        GLN  22   3.210  12.834   0.152
  152    HA   GLN  22           HA       GLN  22   1.592  14.805   1.266
  153   1HB   GLN  22          2HB       GLN  22   3.972  15.147   0.660
  154   2HB   GLN  22          1HB       GLN  22   3.547  15.063  -1.038
  155   1HG   GLN  22          2HG       GLN  22   3.867  17.354  -0.374
  156   2HG   GLN  22          1HG       GLN  22   2.173  17.077  -0.776
  157   1HE2  GLN  22          1HE2      GLN  22   1.482  18.782   0.421
  158   2HE2  GLN  22          2HE2      GLN  22   1.462  18.792   2.149
  159    H    LYS  23           H        LYS  23   1.896  13.631  -2.036
  160    HA   LYS  23           HA       LYS  23  -0.039  15.214  -3.276
  161   1HB   LYS  23          2HB       LYS  23   1.600  13.965  -4.547
  162   2HB   LYS  23          1HB       LYS  23   0.962  12.448  -3.935
  163   1HG   LYS  23          2HG       LYS  23  -1.122  12.835  -5.139
  164   2HG   LYS  23          1HG       LYS  23  -0.501  14.372  -5.730
  165   1HD   LYS  23          2HD       LYS  23   1.270  13.236  -6.933
  166   2HD   LYS  23          1HD       LYS  23   0.756  11.682  -6.274
  167   1HE   LYS  23          2HE       LYS  23  -1.378  11.889  -7.401
  168   2HE   LYS  23          1HE       LYS  23  -0.920  13.473  -8.022
  169   1HZ   LYS  23          1HZ       LYS  23   0.825  12.446  -9.294
  170   2HZ   LYS  23          2HZ       LYS  23  -0.651  11.730  -9.659
  171   3HZ   LYS  23          3HZ       LYS  23   0.453  10.917  -8.669
  172    H    ALA  24           H        ALA  24  -0.335  11.981  -1.739
  173    HA   ALA  24           HA       ALA  24  -3.042  11.611  -2.450
  174   1HB   ALA  24          1HB       ALA  24  -1.555   9.766  -1.813
  175   2HB   ALA  24          2HB       ALA  24  -3.013   9.797  -0.819
  176   3HB   ALA  24          3HB       ALA  24  -1.487  10.398  -0.170
  177    H    ASN  25           H        ASN  25  -1.460  13.179   0.211
  178    HA   ASN  25           HA       ASN  25  -3.679  13.375   1.989
  179   1HB   ASN  25          2HB       ASN  25  -1.142  13.715   2.417
  180   2HB   ASN  25          1HB       ASN  25  -1.397  15.295   1.762
  181   1HD2  ASN  25          1HD2      ASN  25  -0.598  14.575   4.453
  182   2HD2  ASN  25          2HD2      ASN  25  -1.749  15.288   5.519
  183    H    GLU  26           H        GLU  26  -2.072  15.664  -0.122
  184    HA   GLU  26           HA       GLU  26  -3.874  17.805   0.263
  185   1HB   GLU  26          2HB       GLU  26  -2.075  17.340  -2.114
  186   2HB   GLU  26          1HB       GLU  26  -2.875  18.851  -1.719
  187   1HG   GLU  26          2HG       GLU  26  -1.610  18.962   0.371
  188   2HG   GLU  26          1HG       GLU  26  -0.791  17.461  -0.060
  189    H    SER  27           H        SER  27  -3.904  15.199  -2.098
  190    HA   SER  27           HA       SER  27  -6.046  16.422  -3.574
  191   1HB   SER  27          2HB       SER  27  -4.782  13.715  -3.839
  192   2HB   SER  27          1HB       SER  27  -5.813  14.519  -5.027
  193    HG   SER  27           HG       SER  27  -3.187  15.054  -4.255
  194    H    LYS  28           H        LYS  28  -5.809  14.560  -0.782
  195    HA   LYS  28           HA       LYS  28  -7.138  13.224   0.422
  196   1HB   LYS  28          2HB       LYS  28  -9.239  14.660  -1.081
  197   2HB   LYS  28          1HB       LYS  28  -9.614  13.633   0.305
  198   1HG   LYS  28          2HG       LYS  28  -8.173  15.149   1.687
  199   2HG   LYS  28          1HG       LYS  28  -7.992  16.180   0.270
  200   1HD   LYS  28          2HD       LYS  28  -9.694  17.097   1.725
  201   2HD   LYS  28          1HD       LYS  28 -10.447  16.517   0.241
  202   1HE   LYS  28          2HE       LYS  28 -11.139  14.456   1.411
  203   2HE   LYS  28          1HE       LYS  28 -10.376  15.049   2.884
  204   1HZ   LYS  28          1HZ       LYS  28 -11.958  16.903   2.895
  205   2HZ   LYS  28          2HZ       LYS  28 -12.764  15.435   2.904
  206   3HZ   LYS  28          3HZ       LYS  28 -12.681  16.320   1.491
  207    H    THR  29           H        THR  29  -6.036  11.877  -1.410
  208    HA   THR  29           HA       THR  29  -8.069  10.341  -2.818
  209    HB   THR  29           HB       THR  29  -5.119   9.956  -2.946
  210    HG1  THR  29           1HG      THR  29  -6.819  11.851  -4.218
  211   1HG2  THR  29          1HG2      THR  29  -7.347   9.404  -4.901
  212   2HG2  THR  29          2HG2      THR  29  -6.459   8.207  -3.955
  213   3HG2  THR  29          3HG2      THR  29  -5.641   9.124  -5.226
  214    H    LEU  30           H        LEU  30  -8.272   8.249  -2.385
  215    HA   LEU  30           HA       LEU  30  -7.601   7.333   0.194
  216   1HB   LEU  30          2HB       LEU  30  -9.704   6.683  -0.875
  217   2HB   LEU  30          1HB       LEU  30  -8.850   5.914  -2.187
  218    HG   LEU  30           HG       LEU  30  -8.120   4.114  -0.665
  219   1HD1  LEU  30          1HD1      LEU  30  -7.970   5.382   1.368
  220   2HD1  LEU  30          2HD1      LEU  30  -9.045   3.997   1.590
  221   3HD1  LEU  30          3HD1      LEU  30  -9.715   5.619   1.389
  222   1HD2  LEU  30          1HD2      LEU  30 -10.295   3.106  -0.257
  223   2HD2  LEU  30          2HD2      LEU  30 -10.263   3.870  -1.844
  224   3HD2  LEU  30          3HD2      LEU  30 -11.078   4.662  -0.496
  225    H    VAL  31           H        VAL  31  -5.683   6.229   0.713
  226    HA   VAL  31           HA       VAL  31  -4.102   5.240  -1.513
  227    HB   VAL  31           HB       VAL  31  -3.274   7.442  -0.902
  228   1HG1  VAL  31          1HG1      VAL  31  -2.841   6.352   1.853
  229   2HG1  VAL  31          2HG1      VAL  31  -4.020   7.580   1.386
  230   3HG1  VAL  31          3HG1      VAL  31  -2.291   7.928   1.282
  231   1HG2  VAL  31          1HG2      VAL  31  -1.400   5.258   0.001
  232   2HG2  VAL  31          2HG2      VAL  31  -0.917   6.895  -0.444
  233   3HG2  VAL  31          3HG2      VAL  31  -1.627   5.828  -1.653
  234    H    VAL  32           H        VAL  32  -3.149   3.350  -1.250
  235    HA   VAL  32           HA       VAL  32  -3.152   2.128   1.413
  236    HB   VAL  32           HB       VAL  32  -3.558   0.763  -1.216
  237   1HG1  VAL  32          1HG1      VAL  32  -4.026  -1.262   0.145
  238   2HG1  VAL  32          2HG1      VAL  32  -3.642  -0.338   1.598
  239   3HG1  VAL  32          3HG1      VAL  32  -2.389  -0.649   0.402
  240   1HG2  VAL  32          1HG2      VAL  32  -5.558   2.002  -0.623
  241   2HG2  VAL  32          2HG2      VAL  32  -5.559   1.280   0.986
  242   3HG2  VAL  32          3HG2      VAL  32  -5.860   0.275  -0.433
  243    H    VAL  33           H        VAL  33  -1.170   1.739   2.066
  244    HA   VAL  33           HA       VAL  33   0.952   1.561   0.053
  245    HB   VAL  33           HB       VAL  33   1.179   2.284   2.985
  246   1HG1  VAL  33          1HG1      VAL  33   3.493   2.834   2.470
  247   2HG1  VAL  33          2HG1      VAL  33   3.256   2.316   0.802
  248   3HG1  VAL  33          3HG1      VAL  33   3.151   1.142   2.110
  249   1HG2  VAL  33          1HG2      VAL  33   1.711   4.548   2.183
  250   2HG2  VAL  33          2HG2      VAL  33   0.086   4.055   1.707
  251   3HG2  VAL  33          3HG2      VAL  33   1.397   4.028   0.528
  252    H    ASP  34           H        ASP  34   1.894  -0.321  -0.195
  253    HA   ASP  34           HA       ASP  34   1.567  -2.396   1.853
  254   1HB   ASP  34          2HB       ASP  34   0.572  -2.883  -0.328
  255   2HB   ASP  34          1HB       ASP  34   2.096  -2.528  -1.116
  256    H    PHE  35           H        PHE  35   3.415  -2.902   2.928
  257    HA   PHE  35           HA       PHE  35   5.943  -2.039   1.810
  258   1HB   PHE  35          2HB       PHE  35   5.141  -2.962   4.565
  259   2HB   PHE  35          1HB       PHE  35   6.762  -2.493   4.091
  260    HD1  PHE  35           1HD      PHE  35   3.438  -1.337   5.008
  261    HD2  PHE  35           2HD      PHE  35   7.260  -0.125   3.580
  262    HE1  PHE  35           1HE      PHE  35   2.909   0.995   5.581
  263    HE2  PHE  35           2HE      PHE  35   6.734   2.205   4.147
  264    HZ   PHE  35           HZ       PHE  35   4.561   2.768   5.150
  265    H    THR  36           H        THR  36   7.098  -3.514   0.786
  266    HA   THR  36           HA       THR  36   6.850  -6.347   1.506
  267    HB   THR  36           HB       THR  36   7.019  -5.100  -1.187
  268    HG1  THR  36           1HG      THR  36   4.841  -5.378  -0.059
  269   1HG2  THR  36          1HG2      THR  36   6.890  -7.379  -2.188
  270   2HG2  THR  36          2HG2      THR  36   7.023  -8.067  -0.575
  271   3HG2  THR  36          3HG2      THR  36   8.363  -7.139  -1.248
  272    H    ALA  37           H        ALA  37   8.726  -7.534   1.182
  273    HA   ALA  37           HA       ALA  37  11.175  -6.029   0.612
  274   1HB   ALA  37          1HB       ALA  37  10.762  -8.370   2.485
  275   2HB   ALA  37          2HB       ALA  37  11.110  -6.707   2.961
  276   3HB   ALA  37          3HB       ALA  37  12.323  -7.649   2.092
  277    H    SER  38           H        SER  38  12.159  -6.787  -1.172
  278    HA   SER  38           HA       SER  38  11.120  -8.653  -2.894
  279   1HB   SER  38          2HB       SER  38  14.015  -7.870  -2.574
  280   2HB   SER  38          1HB       SER  38  13.339  -8.686  -3.981
  281    HG   SER  38           HG       SER  38  12.485  -6.128  -3.013
  282    H    TRP  39           H        TRP  39  13.274  -9.256  -0.224
  283    HA   TRP  39           HA       TRP  39  13.849 -11.958  -1.011
  284   1HB   TRP  39          2HB       TRP  39  15.161 -12.009   1.141
  285   2HB   TRP  39          1HB       TRP  39  15.583 -10.695   0.064
  286    HD1  TRP  39           HD       TRP  39  15.122  -8.328   0.830
  287    HE1  TRP  39           1HE      TRP  39  14.575  -7.254   3.173
  288    HE3  TRP  39           3HE      TRP  39  13.864 -12.533   3.359
  289    HZ2  TRP  39           2HZ      TRP  39  13.749  -8.134   5.684
  290    HZ3  TRP  39           3HZ      TRP  39  13.207 -12.358   5.722
  291    HH2  TRP  39           HH       TRP  39  13.151 -10.188   6.853
  292    H    CYS  40           H        CYS  40  11.125 -10.655   0.232
  293    HA   CYS  40           HA       CYS  40  10.655 -12.814   2.132
  294   1HB   CYS  40          2HB       CYS  40  10.152 -10.602   2.964
  295   2HB   CYS  40          1HB       CYS  40   9.128 -10.271   1.580
  296    H    GLY  41           H        GLY  41   9.541 -14.511   1.572
  297   1HA   GLY  41          2HA       GLY  41   8.561 -14.958  -1.044
  298   2HA   GLY  41          1HA       GLY  41   8.337 -16.017   0.335
  299    HA   PRO  42           HA       PRO  42   4.020 -15.106   0.736
  300   1HB   PRO  42          2HB       PRO  42   3.753 -13.810   3.192
  301   2HB   PRO  42          1HB       PRO  42   3.799 -15.562   2.965
  302   1HG   PRO  42          2HG       PRO  42   5.997 -13.687   3.718
  303   2HG   PRO  42          1HG       PRO  42   5.649 -15.309   4.356
  304   1HD   PRO  42          2HD       PRO  42   7.622 -14.914   2.611
  305   2HD   PRO  42          1HD       PRO  42   6.583 -16.348   2.484
  306    H    CYS  43           H        CYS  43   6.128 -12.450   1.524
  307    HA   CYS  43           HA       CYS  43   4.272 -10.328   1.205
  308   1HB   CYS  43          2HB       CYS  43   7.258 -10.277   0.746
  309   2HB   CYS  43          1HB       CYS  43   6.219  -8.899   1.073
  310    H    ARG  44           H        ARG  44   6.440 -12.009  -1.039
  311    HA   ARG  44           HA       ARG  44   5.715 -10.292  -3.214
  312   1HB   ARG  44          2HB       ARG  44   7.918 -11.418  -3.138
  313   2HB   ARG  44          1HB       ARG  44   7.110 -12.975  -3.264
  314   1HG   ARG  44          2HG       ARG  44   6.203 -12.322  -5.444
  315   2HG   ARG  44          1HG       ARG  44   7.045 -10.783  -5.319
  316   1HD   ARG  44          2HD       ARG  44   9.180 -11.986  -5.235
  317   2HD   ARG  44          1HD       ARG  44   8.303 -13.513  -5.405
  318    HE   ARG  44           HE       ARG  44   7.625 -11.685  -7.450
  319   1HH1  ARG  44          1HH1      ARG  44  10.125 -13.997  -6.517
  320   2HH1  ARG  44          2HH1      ARG  44  10.668 -14.251  -8.108
  321   1HH2  ARG  44          1HH2      ARG  44   8.344 -12.015  -9.577
  322   2HH2  ARG  44          2HH2      ARG  44   9.643 -13.086  -9.900
  323    H    PHE  45           H        PHE  45   4.717 -13.353  -1.917
  324    HA   PHE  45           HA       PHE  45   3.136 -14.246  -4.063
  325   1HB   PHE  45          2HB       PHE  45   3.823 -15.737  -2.243
  326   2HB   PHE  45          1HB       PHE  45   2.844 -14.823  -1.106
  327    HD1  PHE  45           1HD      PHE  45   2.697 -17.028  -4.069
  328    HD2  PHE  45           2HD      PHE  45   0.527 -15.295  -0.834
  329    HE1  PHE  45           1HE      PHE  45   0.791 -18.506  -4.550
  330    HE2  PHE  45           2HE      PHE  45  -1.369 -16.770  -1.312
  331    HZ   PHE  45           HZ       PHE  45  -1.245 -18.380  -3.172
  332    H    ILE  46           H        ILE  46   2.489 -11.909  -1.566
  333    HA   ILE  46           HA       ILE  46  -0.354 -11.924  -2.118
  334    HB   ILE  46           HB       ILE  46   0.628 -11.516   0.201
  335   1HG1  ILE  46          2HG1      ILE  46  -0.985  -9.671   0.779
  336   2HG1  ILE  46          1HG1      ILE  46  -1.275  -9.482  -0.948
  337   1HG2  ILE  46          1HG2      ILE  46   1.275  -8.808  -0.934
  338   2HG2  ILE  46          2HG2      ILE  46   2.434 -10.020  -0.392
  339   3HG2  ILE  46          3HG2      ILE  46   1.354  -9.251   0.772
  340   1HD1  ILE  46          1HD1      ILE  46  -1.708 -11.963   0.643
  341   2HD1  ILE  46          2HD1      ILE  46  -2.079 -11.763  -1.075
  342   3HD1  ILE  46          3HD1      ILE  46  -2.980 -10.844   0.149
  343    H    ALA  47           H        ALA  47   2.382 -10.525  -3.448
  344    HA   ALA  47           HA       ALA  47   1.524  -7.944  -4.050
  345   1HB   ALA  47          1HB       ALA  47   3.337  -7.797  -5.634
  346   2HB   ALA  47          2HB       ALA  47   3.512  -9.549  -5.666
  347   3HB   ALA  47          3HB       ALA  47   3.882  -8.652  -4.194
  348    HA   PRO  48           HA       PRO  48  -0.064  -9.650  -8.425
  349   1HB   PRO  48          2HB       PRO  48  -1.110 -12.256  -7.433
  350   2HB   PRO  48          1HB       PRO  48  -0.410 -11.857  -9.005
  351   1HG   PRO  48          2HG       PRO  48   0.991 -13.250  -7.235
  352   2HG   PRO  48          1HG       PRO  48   1.771 -11.995  -8.215
  353   1HD   PRO  48          2HD       PRO  48   0.917 -11.912  -5.353
  354   2HD   PRO  48          1HD       PRO  48   2.374 -11.246  -6.114
  355    H    PHE  49           H        PHE  49  -1.447 -10.516  -5.315
  356    HA   PHE  49           HA       PHE  49  -4.169 -10.145  -6.118
  357   1HB   PHE  49          2HB       PHE  49  -3.386 -11.588  -4.180
  358   2HB   PHE  49          1HB       PHE  49  -3.021 -10.112  -3.309
  359    HD1  PHE  49           1HD      PHE  49  -4.926  -8.574  -2.677
  360    HD2  PHE  49           2HD      PHE  49  -5.565 -12.467  -4.265
  361    HE1  PHE  49           1HE      PHE  49  -7.226  -8.547  -1.807
  362    HE2  PHE  49           2HE      PHE  49  -7.865 -12.444  -3.405
  363    HZ   PHE  49           HZ       PHE  49  -8.700 -10.485  -2.178
  364    H    PHE  50           H        PHE  50  -1.710  -8.238  -4.472
  365    HA   PHE  50           HA       PHE  50  -3.329  -5.918  -4.002
  366   1HB   PHE  50          2HB       PHE  50  -1.253  -6.495  -2.719
  367   2HB   PHE  50          1HB       PHE  50  -0.311  -6.180  -4.163
  368    HD1  PHE  50           1HD      PHE  50  -2.451  -4.652  -1.590
  369    HD2  PHE  50           2HD      PHE  50   0.312  -3.966  -4.749
  370    HE1  PHE  50           1HE      PHE  50  -2.248  -2.311  -0.893
  371    HE2  PHE  50           2HE      PHE  50   0.523  -1.614  -4.055
  372    HZ   PHE  50           HZ       PHE  50  -0.758  -0.784  -2.126
  373    H    ALA  51           H        ALA  51  -1.240  -6.937  -6.612
  374    HA   ALA  51           HA       ALA  51  -1.348  -4.506  -8.082
  375   1HB   ALA  51          1HB       ALA  51  -0.915  -7.322  -9.102
  376   2HB   ALA  51          2HB       ALA  51   0.348  -6.234  -8.523
  377   3HB   ALA  51          3HB       ALA  51  -0.555  -5.839  -9.985
  378    H    ASP  52           H        ASP  52  -3.438  -7.219  -7.750
  379    HA   ASP  52           HA       ASP  52  -5.195  -6.683  -9.960
  380   1HB   ASP  52          2HB       ASP  52  -4.966  -8.869  -8.719
  381   2HB   ASP  52          1HB       ASP  52  -5.747  -8.097  -7.381
  382    H    LEU  53           H        LEU  53  -5.191  -6.045  -6.518
  383    HA   LEU  53           HA       LEU  53  -7.528  -4.661  -6.199
  384   1HB   LEU  53          2HB       LEU  53  -4.825  -4.296  -4.956
  385   2HB   LEU  53          1HB       LEU  53  -6.228  -3.512  -4.343
  386    HG   LEU  53           HG       LEU  53  -5.658  -6.446  -4.376
  387   1HD1  LEU  53          1HD1      LEU  53  -5.993  -4.487  -2.105
  388   2HD1  LEU  53          2HD1      LEU  53  -4.460  -5.143  -2.648
  389   3HD1  LEU  53          3HD1      LEU  53  -5.672  -6.207  -1.932
  390   1HD2  LEU  53          1HD2      LEU  53  -7.727  -6.718  -3.127
  391   2HD2  LEU  53          2HD2      LEU  53  -8.051  -6.091  -4.748
  392   3HD2  LEU  53          3HD2      LEU  53  -8.087  -5.013  -3.339
  393    H    ALA  54           H        ALA  54  -4.413  -3.512  -7.350
  394    HA   ALA  54           HA       ALA  54  -5.036  -0.785  -7.462
  395   1HB   ALA  54          1HB       ALA  54  -3.071  -0.555  -8.877
  396   2HB   ALA  54          2HB       ALA  54  -3.051  -2.297  -9.149
  397   3HB   ALA  54          3HB       ALA  54  -2.749  -1.653  -7.535
  398    H    LYS  55           H        LYS  55  -5.567  -3.368  -9.792
  399    HA   LYS  55           HA       LYS  55  -6.446  -1.501 -11.811
  400   1HB   LYS  55          2HB       LYS  55  -5.397  -3.705 -12.398
  401   2HB   LYS  55          1HB       LYS  55  -6.820  -4.504 -11.750
  402   1HG   LYS  55          2HG       LYS  55  -8.218  -3.369 -13.390
  403   2HG   LYS  55          1HG       LYS  55  -6.794  -2.579 -14.065
  404   1HD   LYS  55          2HD       LYS  55  -5.877  -4.826 -14.582
  405   2HD   LYS  55          1HD       LYS  55  -7.382  -5.541 -14.010
  406   1HE   LYS  55          2HE       LYS  55  -7.045  -3.639 -16.337
  407   2HE   LYS  55          1HE       LYS  55  -7.430  -5.348 -16.424
  408   1HZ   LYS  55          1HZ       LYS  55  -9.390  -3.995 -16.741
  409   2HZ   LYS  55          2HZ       LYS  55  -9.188  -3.225 -15.276
  410   3HZ   LYS  55          3HZ       LYS  55  -9.565  -4.871 -15.322
  411    H    LYS  56           H        LYS  56  -7.802  -3.384  -9.271
  412    HA   LYS  56           HA       LYS  56 -10.490  -3.447 -10.160
  413   1HB   LYS  56          2HB       LYS  56  -9.361  -4.994  -8.540
  414   2HB   LYS  56          1HB       LYS  56  -9.421  -3.711  -7.352
  415   1HG   LYS  56          2HG       LYS  56 -11.892  -3.719  -7.538
  416   2HG   LYS  56          1HG       LYS  56 -11.771  -5.093  -8.640
  417   1HD   LYS  56          2HD       LYS  56 -10.936  -4.992  -5.733
  418   2HD   LYS  56          1HD       LYS  56 -12.255  -5.930  -6.431
  419   1HE   LYS  56          2HE       LYS  56  -9.297  -6.328  -6.926
  420   2HE   LYS  56          1HE       LYS  56 -10.344  -7.355  -5.964
  421   1HZ   LYS  56          1HZ       LYS  56  -9.875  -8.211  -8.183
  422   2HZ   LYS  56          2HZ       LYS  56 -10.657  -6.913  -8.889
  423   3HZ   LYS  56          3HZ       LYS  56 -11.529  -8.005  -7.952
  424    H    LEU  57           H        LEU  57  -8.653  -1.294  -7.918
  425    HA   LEU  57           HA       LEU  57 -10.964   0.449  -7.892
  426   1HB   LEU  57          2HB       LEU  57  -8.722   0.148  -5.901
  427   2HB   LEU  57          1HB       LEU  57  -9.885   1.445  -5.869
  428    HG   LEU  57           HG       LEU  57 -11.678  -0.341  -5.534
  429   1HD1  LEU  57          1HD1      LEU  57 -10.985  -2.491  -4.623
  430   2HD1  LEU  57          2HD1      LEU  57  -9.306  -2.107  -5.006
  431   3HD1  LEU  57          3HD1      LEU  57 -10.495  -2.273  -6.302
  432   1HD2  LEU  57          1HD2      LEU  57  -9.570  -0.044  -3.405
  433   2HD2  LEU  57          2HD2      LEU  57 -11.218  -0.620  -3.148
  434   3HD2  LEU  57          3HD2      LEU  57 -10.941   1.034  -3.696
  435    HA   PRO  58           HA       PRO  58  -7.952   2.720 -10.403
  436   1HB   PRO  58          2HB       PRO  58  -9.695   3.886 -12.032
  437   2HB   PRO  58          1HB       PRO  58  -9.358   2.156 -12.153
  438   1HG   PRO  58          2HG       PRO  58 -11.691   3.546 -10.920
  439   2HG   PRO  58          1HG       PRO  58 -11.651   2.060 -11.878
  440   1HD   PRO  58          2HD       PRO  58 -11.760   2.176  -9.107
  441   2HD   PRO  58          1HD       PRO  58 -11.242   0.769 -10.058
  442    H    ASN  59           H        ASN  59  -9.549   3.726  -7.886
  443    HA   ASN  59           HA       ASN  59  -9.032   6.595  -8.398
  444   1HB   ASN  59          2HB       ASN  59 -11.486   6.092  -8.266
  445   2HB   ASN  59          1HB       ASN  59 -11.203   5.428  -6.665
  446   1HD2  ASN  59          1HD2      ASN  59 -12.658   6.873  -5.743
  447   2HD2  ASN  59          2HD2      ASN  59 -12.302   8.543  -5.521
  448    H    VAL  60           H        VAL  60  -7.852   4.016  -6.968
  449    HA   VAL  60           HA       VAL  60  -7.207   5.342  -4.442
  450    HB   VAL  60           HB       VAL  60  -7.361   2.369  -5.011
  451   1HG1  VAL  60          1HG1      VAL  60  -5.672   2.868  -3.333
  452   2HG1  VAL  60          2HG1      VAL  60  -7.067   2.089  -2.585
  453   3HG1  VAL  60          3HG1      VAL  60  -6.834   3.833  -2.427
  454   1HG2  VAL  60          1HG2      VAL  60  -9.176   4.173  -3.451
  455   2HG2  VAL  60          2HG2      VAL  60  -9.302   2.413  -3.486
  456   3HG2  VAL  60          3HG2      VAL  60  -9.564   3.354  -4.962
  457    H    LEU  61           H        LEU  61  -5.070   5.592  -3.958
  458    HA   LEU  61           HA       LEU  61  -3.176   4.882  -6.006
  459   1HB   LEU  61          2HB       LEU  61  -2.957   6.449  -3.451
  460   2HB   LEU  61          1HB       LEU  61  -1.667   6.215  -4.602
  461    HG   LEU  61           HG       LEU  61  -4.232   7.718  -5.099
  462   1HD1  LEU  61          1HD1      LEU  61  -1.404   8.702  -4.740
  463   2HD1  LEU  61          2HD1      LEU  61  -2.731   8.907  -3.598
  464   3HD1  LEU  61          3HD1      LEU  61  -2.791   9.703  -5.171
  465   1HD2  LEU  61          1HD2      LEU  61  -3.419   6.666  -7.141
  466   2HD2  LEU  61          2HD2      LEU  61  -1.818   7.351  -6.871
  467   3HD2  LEU  61          3HD2      LEU  61  -3.188   8.410  -7.206
  468    H    PHE  62           H        PHE  62  -2.246   2.951  -5.850
  469    HA   PHE  62           HA       PHE  62  -1.834   1.796  -3.188
  470   1HB   PHE  62          2HB       PHE  62  -1.714   0.465  -5.874
  471   2HB   PHE  62          1HB       PHE  62  -1.497  -0.325  -4.341
  472    HD1  PHE  62           1HD      PHE  62  -4.021   1.279  -6.494
  473    HD2  PHE  62           2HD      PHE  62  -3.317  -0.954  -2.947
  474    HE1  PHE  62           1HE      PHE  62  -6.423   0.811  -6.317
  475    HE2  PHE  62           2HE      PHE  62  -5.723  -1.425  -2.761
  476    HZ   PHE  62           HZ       PHE  62  -7.279  -0.541  -4.456
  477    H    LEU  63           H        LEU  63   0.139   1.284  -2.558
  478    HA   LEU  63           HA       LEU  63   2.360   1.962  -4.339
  479   1HB   LEU  63          2HB       LEU  63   2.036   2.816  -1.475
  480   2HB   LEU  63          1HB       LEU  63   3.562   2.834  -2.310
  481    HG   LEU  63           HG       LEU  63   2.529   4.485  -3.928
  482   1HD1  LEU  63          1HD1      LEU  63   0.353   4.626  -1.869
  483   2HD1  LEU  63          2HD1      LEU  63   0.190   4.050  -3.526
  484   3HD1  LEU  63          3HD1      LEU  63   0.576   5.742  -3.217
  485   1HD2  LEU  63          1HD2      LEU  63   4.049   5.193  -2.189
  486   2HD2  LEU  63          2HD2      LEU  63   2.718   5.288  -1.036
  487   3HD2  LEU  63          3HD2      LEU  63   2.773   6.385  -2.419
  488    H    LYS  64           H        LYS  64   4.117   0.671  -4.262
  489    HA   LYS  64           HA       LYS  64   4.221  -1.410  -2.244
  490   1HB   LYS  64          2HB       LYS  64   4.891  -1.278  -5.131
  491   2HB   LYS  64          1HB       LYS  64   5.909  -2.256  -4.105
  492   1HG   LYS  64          2HG       LYS  64   2.909  -2.581  -4.356
  493   2HG   LYS  64          1HG       LYS  64   4.080  -3.528  -5.285
  494   1HD   LYS  64          2HD       LYS  64   5.009  -4.362  -3.139
  495   2HD   LYS  64          1HD       LYS  64   3.762  -3.471  -2.272
  496   1HE   LYS  64          2HE       LYS  64   2.034  -4.790  -3.430
  497   2HE   LYS  64          1HE       LYS  64   3.294  -5.686  -4.277
  498   1HZ   LYS  64          1HZ       LYS  64   4.070  -6.521  -2.087
  499   2HZ   LYS  64          2HZ       LYS  64   2.403  -6.871  -2.238
  500   3HZ   LYS  64          3HZ       LYS  64   2.919  -5.598  -1.338
  501    H    VAL  65           H        VAL  65   5.670  -0.941  -0.788
  502    HA   VAL  65           HA       VAL  65   8.007   0.665  -1.562
  503    HB   VAL  65           HB       VAL  65   6.789   0.257   1.194
  504   1HG1  VAL  65          1HG1      VAL  65   8.349   1.982   1.948
  505   2HG1  VAL  65          2HG1      VAL  65   9.031   2.072   0.329
  506   3HG1  VAL  65          3HG1      VAL  65   9.218   0.596   1.279
  507   1HG2  VAL  65          1HG2      VAL  65   6.134   2.617   1.052
  508   2HG2  VAL  65          2HG2      VAL  65   5.376   1.655  -0.218
  509   3HG2  VAL  65          3HG2      VAL  65   6.754   2.687  -0.596
  510    H    ASP  66           H        ASP  66   9.796  -0.514  -1.775
  511    HA   ASP  66           HA       ASP  66   9.933  -3.129  -0.540
  512   1HB   ASP  66          2HB       ASP  66  10.731  -2.878  -2.876
  513   2HB   ASP  66          1HB       ASP  66  11.929  -1.740  -2.261
  514    H    THR  67           H        THR  67  10.560  -3.332   1.392
  515    HA   THR  67           HA       THR  67  11.819  -1.254   2.861
  516    HB   THR  67           HB       THR  67  11.718  -2.864   4.744
  517    HG1  THR  67           1HG      THR  67  10.550  -4.859   4.196
  518   1HG2  THR  67          1HG2      THR  67   9.767  -1.444   4.184
  519   2HG2  THR  67          2HG2      THR  67   9.271  -3.011   4.818
  520   3HG2  THR  67          3HG2      THR  67   9.189  -2.698   3.086
  521    H    ASP  68           H        ASP  68  13.089  -3.793   0.991
  522    HA   ASP  68           HA       ASP  68  15.467  -4.272   2.515
  523   1HB   ASP  68          2HB       ASP  68  14.631  -5.894   0.841
  524   2HB   ASP  68          1HB       ASP  68  14.919  -4.723  -0.420
  525    H    GLU  69           H        GLU  69  14.589  -2.356  -0.270
  526    HA   GLU  69           HA       GLU  69  17.031  -0.967  -0.359
  527   1HB   GLU  69          2HB       GLU  69  14.335  -0.581  -1.557
  528   2HB   GLU  69          1HB       GLU  69  15.663   0.500  -1.890
  529   1HG   GLU  69          2HG       GLU  69  16.953  -1.463  -2.732
  530   2HG   GLU  69          1HG       GLU  69  15.527  -2.456  -2.444
  531    H    LEU  70           H        LEU  70  13.681   0.111   0.525
  532    HA   LEU  70           HA       LEU  70  14.810   2.359   1.830
  533   1HB   LEU  70          2HB       LEU  70  12.037   1.440   1.264
  534   2HB   LEU  70          1HB       LEU  70  12.398   2.848   2.223
  535    HG   LEU  70           HG       LEU  70  13.139   2.449  -0.681
  536   1HD1  LEU  70          1HD1      LEU  70  10.766   2.770  -0.374
  537   2HD1  LEU  70          2HD1      LEU  70  11.495   4.202  -1.105
  538   3HD1  LEU  70          3HD1      LEU  70  11.059   4.208   0.606
  539   1HD2  LEU  70          1HD2      LEU  70  14.788   3.839   0.469
  540   2HD2  LEU  70          2HD2      LEU  70  13.495   4.832   1.136
  541   3HD2  LEU  70          3HD2      LEU  70  13.786   4.819  -0.600
  542    H    LYS  71           H        LYS  71  15.916   1.024   3.346
  543    HA   LYS  71           HA       LYS  71  14.572  -0.467   5.355
  544   1HB   LYS  71          2HB       LYS  71  17.293   0.843   5.464
  545   2HB   LYS  71          1HB       LYS  71  16.685  -0.370   6.579
  546   1HG   LYS  71          2HG       LYS  71  16.565  -1.992   4.752
  547   2HG   LYS  71          1HG       LYS  71  17.161  -0.774   3.630
  548   1HD   LYS  71          2HD       LYS  71  18.971  -2.246   4.308
  549   2HD   LYS  71          1HD       LYS  71  19.250  -0.622   4.939
  550   1HE   LYS  71          2HE       LYS  71  18.380  -1.336   7.125
  551   2HE   LYS  71          1HE       LYS  71  18.096  -2.950   6.484
  552   1HZ   LYS  71          1HZ       LYS  71  20.502  -3.139   6.106
  553   2HZ   LYS  71          2HZ       LYS  71  20.148  -2.836   7.730
  554   3HZ   LYS  71          3HZ       LYS  71  20.731  -1.612   6.774
  555    H    SER  72           H        SER  72  15.501   2.885   5.032
  556    HA   SER  72           HA       SER  72  15.155   3.623   7.716
  557   1HB   SER  72          2HB       SER  72  15.120   5.953   6.739
  558   2HB   SER  72          1HB       SER  72  16.524   4.978   6.304
  559    HG   SER  72           HG       SER  72  15.194   6.209   4.613
  560    H    VAL  73           H        VAL  73  12.914   3.286   5.110
  561    HA   VAL  73           HA       VAL  73  10.832   4.782   6.361
  562    HB   VAL  73           HB       VAL  73  10.655   2.678   4.171
  563   1HG1  VAL  73          1HG1      VAL  73   8.458   3.655   3.668
  564   2HG1  VAL  73          2HG1      VAL  73   8.621   4.725   5.060
  565   3HG1  VAL  73          3HG1      VAL  73   8.509   2.981   5.299
  566   1HG2  VAL  73          1HG2      VAL  73  10.489   4.594   2.647
  567   2HG2  VAL  73          2HG2      VAL  73  12.020   4.602   3.530
  568   3HG2  VAL  73          3HG2      VAL  73  10.719   5.690   4.007
  569    H    ALA  74           H        ALA  74  11.464   1.315   5.975
  570    HA   ALA  74           HA       ALA  74   9.334   0.344   7.548
  571   1HB   ALA  74          1HB       ALA  74  10.619  -1.713   7.697
  572   2HB   ALA  74          2HB       ALA  74  12.073  -0.867   7.167
  573   3HB   ALA  74          3HB       ALA  74  10.712  -1.058   6.062
  574    H    SER  75           H        SER  75  12.625   1.327   8.461
  575    HA   SER  75           HA       SER  75  12.359   0.457  11.127
  576   1HB   SER  75          2HB       SER  75  14.524   0.717   9.968
  577   2HB   SER  75          1HB       SER  75  14.274   2.458   9.909
  578    HG   SER  75           HG       SER  75  13.978   1.872  12.414
  579    H    ASP  76           H        ASP  76  11.514   3.407   9.444
  580    HA   ASP  76           HA       ASP  76  11.368   5.107  11.751
  581   1HB   ASP  76          2HB       ASP  76  11.673   5.887   9.398
  582   2HB   ASP  76          1HB       ASP  76  10.019   5.414   9.071
  583    H    TRP  77           H        TRP  77   9.125   3.156   9.904
  584    HA   TRP  77           HA       TRP  77   6.925   4.036  11.502
  585   1HB   TRP  77          2HB       TRP  77   7.092   2.225   9.144
  586   2HB   TRP  77          1HB       TRP  77   5.565   2.550   9.971
  587    HD1  TRP  77           HD       TRP  77   8.154   4.179   7.681
  588    HE1  TRP  77           1HE      TRP  77   7.194   6.335   6.721
  589    HE3  TRP  77           3HE      TRP  77   3.855   4.425  10.426
  590    HZ2  TRP  77           2HZ      TRP  77   4.897   7.949   7.057
  591    HZ3  TRP  77           3HZ      TRP  77   2.330   6.312  10.045
  592    HH2  TRP  77           HH       TRP  77   2.836   8.036   8.396
  593    H    ALA  78           H        ALA  78   9.241   2.104  12.212
  594    HA   ALA  78           HA       ALA  78   9.623   0.474  13.735
  595   1HB   ALA  78          1HB       ALA  78   7.958   0.031  15.459
  596   2HB   ALA  78          2HB       ALA  78   6.711   0.797  14.478
  597   3HB   ALA  78          3HB       ALA  78   8.039   1.761  15.120
  598    H    ILE  79           H        ILE  79   8.642  -0.170  11.053
  599    HA   ILE  79           HA       ILE  79   7.042  -2.524  11.245
  600    HB   ILE  79           HB       ILE  79   8.685  -1.470   8.929
  601   1HG1  ILE  79          2HG1      ILE  79   5.746  -1.169   9.570
  602   2HG1  ILE  79          1HG1      ILE  79   6.950   0.099   9.696
  603   1HG2  ILE  79          1HG2      ILE  79   7.260  -2.914   7.528
  604   2HG2  ILE  79          2HG2      ILE  79   6.479  -3.541   8.978
  605   3HG2  ILE  79          3HG2      ILE  79   8.190  -3.860   8.692
  606   1HD1  ILE  79          1HD1      ILE  79   5.589   0.330   7.696
  607   2HD1  ILE  79          2HD1      ILE  79   6.066  -1.280   7.177
  608   3HD1  ILE  79          3HD1      ILE  79   7.271   0.006   7.274
  609    H    GLN  80           H        GLN  80   7.847  -4.226  12.213
  610    HA   GLN  80           HA       GLN  80  10.592  -5.056  11.648
  611   1HB   GLN  80          2HB       GLN  80  10.320  -6.457  13.693
  612   2HB   GLN  80          1HB       GLN  80  10.299  -4.722  14.001
  613   1HG   GLN  80          2HG       GLN  80   7.865  -4.803  14.191
  614   2HG   GLN  80          1HG       GLN  80   7.889  -6.529  13.840
  615   1HE2  GLN  80          1HE2      GLN  80   8.585  -7.948  15.415
  616   2HE2  GLN  80          2HE2      GLN  80   8.752  -7.481  17.063
  617    H    ALA  81           H        ALA  81   7.237  -6.063  11.660
  618    HA   ALA  81           HA       ALA  81   8.046  -8.575  10.402
  619   1HB   ALA  81          1HB       ALA  81   5.864  -9.466  11.087
  620   2HB   ALA  81          2HB       ALA  81   5.453  -7.913  11.805
  621   3HB   ALA  81          3HB       ALA  81   6.765  -8.876  12.483
  622    H    MET  82           H        MET  82   7.430  -8.947   8.370
  623    HA   MET  82           HA       MET  82   5.731  -6.941   7.089
  624   1HB   MET  82          2HB       MET  82   8.204  -8.318   6.020
  625   2HB   MET  82          1HB       MET  82   7.209  -7.193   5.131
  626   1HG   MET  82          2HG       MET  82   7.764  -5.398   6.663
  627   2HG   MET  82          1HG       MET  82   8.681  -6.528   7.657
  628   1HE   MET  82          1HE       MET  82  10.940  -7.624   6.971
  629   2HE   MET  82          2HE       MET  82  11.710  -7.388   5.406
  630   3HE   MET  82          3HE       MET  82  10.209  -8.297   5.512
  631    HA   PRO  83           HA       PRO  83   5.317  -6.856   4.771
  632   1HB   PRO  83          2HB       PRO  83   3.152  -7.000   3.239
  633   2HB   PRO  83          1HB       PRO  83   4.617  -7.898   2.815
  634   1HG   PRO  83          2HG       PRO  83   2.103  -8.859   4.086
  635   2HG   PRO  83          1HG       PRO  83   3.110  -9.645   2.853
  636   1HD   PRO  83          2HD       PRO  83   3.171 -10.210   5.570
  637   2HD   PRO  83          1HD       PRO  83   4.475 -10.586   4.428
  638    H    THR  84           H        THR  84   4.154  -4.977   5.043
  639    HA   THR  84           HA       THR  84   1.951  -5.156   6.941
  640    HB   THR  84           HB       THR  84   3.874  -2.967   6.501
  641    HG1  THR  84           1HG      THR  84   4.011  -5.232   8.031
  642   1HG2  THR  84          1HG2      THR  84   1.745  -2.145   7.349
  643   2HG2  THR  84          2HG2      THR  84   2.948  -2.024   8.632
  644   3HG2  THR  84          3HG2      THR  84   1.773  -3.336   8.648
  645    H    PHE  85           H        PHE  85   0.048  -4.460   6.111
  646    HA   PHE  85           HA       PHE  85   0.123  -2.905   3.667
  647   1HB   PHE  85          2HB       PHE  85  -2.255  -4.304   4.972
  648   2HB   PHE  85          1HB       PHE  85  -2.074  -3.670   3.365
  649    HD1  PHE  85           1HD      PHE  85  -1.165  -6.415   5.598
  650    HD2  PHE  85           2HD      PHE  85  -1.017  -4.921   1.619
  651    HE1  PHE  85           1HE      PHE  85  -0.493  -8.625   4.812
  652    HE2  PHE  85           2HE      PHE  85  -0.339  -7.151   0.817
  653    HZ   PHE  85           HZ       PHE  85  -0.076  -9.001   2.426
  654    H    MET  86           H        MET  86  -0.245  -0.808   4.018
  655    HA   MET  86           HA       MET  86  -1.568  -0.031   6.518
  656   1HB   MET  86          2HB       MET  86   0.739   0.653   6.439
  657   2HB   MET  86          1HB       MET  86   0.518   1.361   4.852
  658   1HG   MET  86          2HG       MET  86  -0.920   3.062   5.825
  659   2HG   MET  86          1HG       MET  86  -0.703   2.419   7.437
  660   1HE   MET  86          1HE       MET  86   1.431   5.653   7.596
  661   2HE   MET  86          2HE       MET  86   0.191   4.678   8.381
  662   3HE   MET  86          3HE       MET  86  -0.125   5.400   6.804
  663    H    PHE  87           H        PHE  87  -3.475   0.802   6.268
  664    HA   PHE  87           HA       PHE  87  -4.325   1.685   3.666
  665   1HB   PHE  87          2HB       PHE  87  -5.669   0.462   6.025
  666   2HB   PHE  87          1HB       PHE  87  -6.548   1.204   4.720
  667    HD1  PHE  87           1HD      PHE  87  -6.805   0.064   2.617
  668    HD2  PHE  87           2HD      PHE  87  -4.327  -1.585   5.656
  669    HE1  PHE  87           1HE      PHE  87  -6.707  -2.056   1.377
  670    HE2  PHE  87           2HE      PHE  87  -4.224  -3.708   4.419
  671    HZ   PHE  87           HZ       PHE  87  -5.413  -3.944   2.275
  672    H    LEU  88           H        LEU  88  -4.529   3.792   3.525
  673    HA   LEU  88           HA       LEU  88  -5.316   5.196   5.930
  674   1HB   LEU  88          2HB       LEU  88  -3.875   6.398   3.539
  675   2HB   LEU  88          1HB       LEU  88  -4.316   7.242   4.991
  676    HG   LEU  88           HG       LEU  88  -2.634   5.718   6.195
  677   1HD1  LEU  88          1HD1      LEU  88  -1.763   5.207   3.361
  678   2HD1  LEU  88          2HD1      LEU  88  -2.384   4.007   4.497
  679   3HD1  LEU  88          3HD1      LEU  88  -0.842   4.813   4.808
  680   1HD2  LEU  88          1HD2      LEU  88  -2.230   8.072   5.747
  681   2HD2  LEU  88          2HD2      LEU  88  -1.666   7.681   4.121
  682   3HD2  LEU  88          3HD2      LEU  88  -0.749   7.140   5.528
  683    H    LYS  89           H        LYS  89  -6.685   7.159   5.294
  684    HA   LYS  89           HA       LYS  89  -8.053   6.801   2.725
  685   1HB   LYS  89          2HB       LYS  89  -9.508   5.921   4.495
  686   2HB   LYS  89          1HB       LYS  89  -9.357   7.454   5.351
  687   1HG   LYS  89          2HG       LYS  89 -10.376   8.584   3.411
  688   2HG   LYS  89          1HG       LYS  89 -10.660   7.010   2.668
  689   1HD   LYS  89          2HD       LYS  89 -12.068   6.394   4.581
  690   2HD   LYS  89          1HD       LYS  89 -11.777   7.987   5.297
  691   1HE   LYS  89          2HE       LYS  89 -12.726   9.002   3.219
  692   2HE   LYS  89          1HE       LYS  89 -13.150   7.380   2.691
  693   1HZ   LYS  89          1HZ       LYS  89 -14.564   7.164   4.658
  694   2HZ   LYS  89          2HZ       LYS  89 -15.021   8.485   3.726
  695   3HZ   LYS  89          3HZ       LYS  89 -14.148   8.725   5.135
  696    H    GLU  90           H        GLU  90  -7.686   8.518   1.596
  697    HA   GLU  90           HA       GLU  90  -7.463  10.540   0.926
  698   1HB   GLU  90          2HB       GLU  90  -9.087  11.149   3.355
  699   2HB   GLU  90          1HB       GLU  90  -8.796  12.330   2.079
  700   1HG   GLU  90          2HG       GLU  90  -9.910  10.860   0.477
  701   2HG   GLU  90          1HG       GLU  90 -10.210   9.679   1.746
  702    H    GLY  91           H        GLY  91  -5.446   9.505   2.758
  703   1HA   GLY  91          2HA       GLY  91  -3.346  10.425   3.355
  704   2HA   GLY  91          1HA       GLY  91  -4.102  12.004   3.460
  705    H    LYS  92           H        LYS  92  -6.083   9.948   5.135
  706    HA   LYS  92           HA       LYS  92  -4.704  10.482   7.676
  707   1HB   LYS  92          2HB       LYS  92  -7.604   9.922   7.048
  708   2HB   LYS  92          1HB       LYS  92  -6.983  10.015   8.683
  709   1HG   LYS  92          2HG       LYS  92  -6.932  12.250   6.654
  710   2HG   LYS  92          1HG       LYS  92  -8.095  12.092   7.972
  711   1HD   LYS  92          2HD       LYS  92  -5.097  12.397   8.298
  712   2HD   LYS  92          1HD       LYS  92  -6.289  13.680   8.510
  713   1HE   LYS  92          2HE       LYS  92  -7.308  12.437  10.360
  714   2HE   LYS  92          1HE       LYS  92  -6.163  11.123  10.129
  715   1HZ   LYS  92          1HZ       LYS  92  -5.460  13.897  10.922
  716   2HZ   LYS  92          2HZ       LYS  92  -4.372  12.617  10.719
  717   3HZ   LYS  92          3HZ       LYS  92  -5.511  12.549  11.940
  718    H    ILE  93           H        ILE  93  -4.024   8.826   8.910
  719    HA   ILE  93           HA       ILE  93  -3.905   6.210   7.775
  720    HB   ILE  93           HB       ILE  93  -3.192   7.152  10.574
  721   1HG1  ILE  93          2HG1      ILE  93  -1.391   6.520   8.250
  722   2HG1  ILE  93          1HG1      ILE  93  -1.875   8.154   8.638
  723   1HG2  ILE  93          1HG2      ILE  93  -1.888   5.073  10.759
  724   2HG2  ILE  93          2HG2      ILE  93  -2.504   4.551   9.193
  725   3HG2  ILE  93          3HG2      ILE  93  -3.609   4.742  10.553
  726   1HD1  ILE  93          1HD1      ILE  93  -0.765   7.901  10.842
  727   2HD1  ILE  93          2HD1      ILE  93   0.344   7.680   9.488
  728   3HD1  ILE  93          3HD1      ILE  93  -0.262   6.279  10.368
  729    H    LEU  94           H        LEU  94  -5.458   4.663   7.868
  730    HA   LEU  94           HA       LEU  94  -7.371   4.926  10.020
  731   1HB   LEU  94          2HB       LEU  94  -7.532   3.584   7.375
  732   2HB   LEU  94          1HB       LEU  94  -8.729   3.328   8.609
  733    HG   LEU  94           HG       LEU  94  -8.122   5.842   7.067
  734   1HD1  LEU  94          1HD1      LEU  94 -10.621   4.226   7.442
  735   2HD1  LEU  94          2HD1      LEU  94  -9.597   4.241   6.008
  736   3HD1  LEU  94          3HD1      LEU  94 -10.485   5.692   6.481
  737   1HD2  LEU  94          1HD2      LEU  94  -8.414   6.525   9.389
  738   2HD2  LEU  94          2HD2      LEU  94  -9.898   5.578   9.496
  739   3HD2  LEU  94          3HD2      LEU  94  -9.821   6.980   8.432
  740    H    ASP  95           H        ASP  95  -5.835   2.284   8.171
  741    HA   ASP  95           HA       ASP  95  -5.460   0.927  10.672
  742   1HB   ASP  95          2HB       ASP  95  -6.505  -1.087   9.870
  743   2HB   ASP  95          1HB       ASP  95  -7.688   0.159  10.234
  744    H    LYS  96           H        LYS  96  -4.271  -0.943  10.512
  745    HA   LYS  96           HA       LYS  96  -2.918  -1.387   7.985
  746   1HB   LYS  96          2HB       LYS  96  -0.661  -1.494   9.067
  747   2HB   LYS  96          1HB       LYS  96  -1.361   0.111   9.074
  748   1HG   LYS  96          2HG       LYS  96  -0.270  -0.206  11.164
  749   2HG   LYS  96          1HG       LYS  96  -1.998  -0.288  11.484
  750   1HD   LYS  96          2HD       LYS  96  -1.825  -2.773  11.451
  751   2HD   LYS  96          1HD       LYS  96  -0.084  -2.613  11.247
  752   1HE   LYS  96          2HE       LYS  96   0.079  -1.439  13.372
  753   2HE   LYS  96          1HE       LYS  96  -1.665  -1.538  13.580
  754   1HZ   LYS  96          1HZ       LYS  96  -1.457  -3.971  13.622
  755   2HZ   LYS  96          2HZ       LYS  96  -0.594  -3.232  14.841
  756   3HZ   LYS  96          3HZ       LYS  96   0.228  -3.834  13.510
  757    H    VAL  97           H        VAL  97  -1.972  -3.409   7.720
  758    HA   VAL  97           HA       VAL  97  -2.805  -5.462   9.669
  759    HB   VAL  97           HB       VAL  97  -2.876  -5.744   6.641
  760   1HG1  VAL  97          1HG1      VAL  97  -3.773  -7.658   8.792
  761   2HG1  VAL  97          2HG1      VAL  97  -2.365  -7.842   7.745
  762   3HG1  VAL  97          3HG1      VAL  97  -3.988  -7.889   7.055
  763   1HG2  VAL  97          1HG2      VAL  97  -4.689  -4.294   7.399
  764   2HG2  VAL  97          2HG2      VAL  97  -5.184  -5.512   8.576
  765   3HG2  VAL  97          3HG2      VAL  97  -5.326  -5.845   6.852
  766    H    VAL  98           H        VAL  98  -1.154  -6.803  10.244
  767    HA   VAL  98           HA       VAL  98   1.308  -6.643   8.658
  768    HB   VAL  98           HB       VAL  98   0.971  -7.262  11.550
  769   1HG1  VAL  98          1HG1      VAL  98   3.446  -7.142  11.656
  770   2HG1  VAL  98          2HG1      VAL  98   3.488  -6.928   9.907
  771   3HG1  VAL  98          3HG1      VAL  98   2.887  -8.435  10.598
  772   1HG2  VAL  98          1HG2      VAL  98   2.086  -4.796  10.224
  773   2HG2  VAL  98          2HG2      VAL  98   2.121  -5.106  11.959
  774   3HG2  VAL  98          3HG2      VAL  98   0.576  -4.916  11.128
  775    H    GLY  99           H        GLY  99   1.871  -8.422   7.615
  776   1HA   GLY  99          2HA       GLY  99   2.417 -10.736   7.527
  777   2HA   GLY  99          1HA       GLY  99   1.194 -11.037   8.763
  778    H    ALA 100           H        ALA 100   1.705 -11.803   5.721
  779    HA   ALA 100           HA       ALA 100  -0.765 -10.744   4.621
  780   1HB   ALA 100          1HB       ALA 100   1.265 -10.611   3.284
  781   2HB   ALA 100          2HB       ALA 100   0.001 -11.553   2.497
  782   3HB   ALA 100          3HB       ALA 100   1.361 -12.371   3.269
  783    H    LYS 101           H        LYS 101  -2.499 -11.833   5.231
  784    HA   LYS 101           HA       LYS 101  -2.605 -14.490   4.219
  785   1HB   LYS 101          2HB       LYS 101  -3.940 -13.401   6.683
  786   2HB   LYS 101          1HB       LYS 101  -4.502 -14.845   5.857
  787   1HG   LYS 101          2HG       LYS 101  -2.180 -15.822   6.183
  788   2HG   LYS 101          1HG       LYS 101  -1.836 -14.423   7.189
  789   1HD   LYS 101          2HD       LYS 101  -4.047 -16.302   7.628
  790   2HD   LYS 101          1HD       LYS 101  -2.470 -16.450   8.411
  791   1HE   LYS 101          2HE       LYS 101  -2.810 -14.291   9.492
  792   2HE   LYS 101          1HE       LYS 101  -4.334 -14.069   8.638
  793   1HZ   LYS 101          1HZ       LYS 101  -4.709 -14.783  10.881
  794   2HZ   LYS 101          2HZ       LYS 101  -3.768 -16.176  10.654
  795   3HZ   LYS 101          3HZ       LYS 101  -5.207 -15.977   9.807
  796    H    LYS 102           H        LYS 102  -4.585 -14.936   3.156
  797    HA   LYS 102           HA       LYS 102  -5.231 -12.802   1.483
  798   1HB   LYS 102          2HB       LYS 102  -5.058 -15.144   0.826
  799   2HB   LYS 102          1HB       LYS 102  -6.481 -15.502   1.774
  800   1HG   LYS 102          2HG       LYS 102  -7.812 -14.083   0.357
  801   2HG   LYS 102          1HG       LYS 102  -6.376 -13.697  -0.612
  802   1HD   LYS 102          2HD       LYS 102  -6.123 -16.097  -1.121
  803   2HD   LYS 102          1HD       LYS 102  -7.600 -16.428  -0.222
  804   1HE   LYS 102          2HE       LYS 102  -8.858 -15.029  -1.795
  805   2HE   LYS 102          1HE       LYS 102  -7.375 -14.718  -2.698
  806   1HZ   LYS 102          1HZ       LYS 102  -8.649 -16.498  -3.725
  807   2HZ   LYS 102          2HZ       LYS 102  -8.619 -17.367  -2.275
  808   3HZ   LYS 102          3HZ       LYS 102  -7.196 -17.101  -3.104
  809    H    ASP 103           H        ASP 103  -6.863 -14.256   4.217
  810    HA   ASP 103           HA       ASP 103  -9.398 -13.157   3.565
  811   1HB   ASP 103          2HB       ASP 103  -9.251 -15.229   4.852
  812   2HB   ASP 103          1HB       ASP 103  -8.574 -14.334   6.212
  813    H    GLU 104           H        GLU 104  -6.998 -12.066   6.057
  814    HA   GLU 104           HA       GLU 104  -8.709 -10.007   7.021
  815   1HB   GLU 104          2HB       GLU 104  -5.691  -9.887   6.988
  816   2HB   GLU 104          1HB       GLU 104  -6.727  -8.772   7.833
  817   1HG   GLU 104          2HG       GLU 104  -5.819 -10.214   9.423
  818   2HG   GLU 104          1HG       GLU 104  -7.490 -10.719   9.230
  819    H    LEU 105           H        LEU 105  -6.450 -10.067   4.409
  820    HA   LEU 105           HA       LEU 105  -6.391  -7.359   3.815
  821   1HB   LEU 105          2HB       LEU 105  -5.005  -9.196   2.818
  822   2HB   LEU 105          1HB       LEU 105  -6.384  -9.632   1.875
  823    HG   LEU 105           HG       LEU 105  -6.409  -7.543   0.705
  824   1HD1  LEU 105          1HD1      LEU 105  -4.588  -5.894   0.998
  825   2HD1  LEU 105          2HD1      LEU 105  -3.967  -6.830   2.357
  826   3HD1  LEU 105          3HD1      LEU 105  -5.554  -6.067   2.460
  827   1HD2  LEU 105          1HD2      LEU 105  -3.663  -8.777   0.757
  828   2HD2  LEU 105          2HD2      LEU 105  -4.306  -7.762  -0.533
  829   3HD2  LEU 105          3HD2      LEU 105  -5.039  -9.332  -0.198
  830    H    GLN 106           H        GLN 106  -8.404  -9.871   2.486
  831    HA   GLN 106           HA       GLN 106 -10.159  -8.217   0.997
  832   1HB   GLN 106          2HB       GLN 106 -10.800 -10.876   2.263
  833   2HB   GLN 106          1HB       GLN 106 -11.803 -10.060   1.079
  834   1HG   GLN 106          2HG       GLN 106  -9.967 -10.215  -0.540
  835   2HG   GLN 106          1HG       GLN 106  -9.022 -11.117   0.649
  836   1HE2  GLN 106          1HE2      GLN 106  -8.961 -12.946  -0.606
  837   2HE2  GLN 106          2HE2      GLN 106 -10.369 -13.941  -0.866
  838    H    SER 107           H        SER 107 -10.264  -9.214   4.342
  839    HA   SER 107           HA       SER 107 -12.875  -8.205   4.878
  840   1HB   SER 107          2HB       SER 107 -10.586  -8.648   6.818
  841   2HB   SER 107          1HB       SER 107 -12.292  -8.487   7.241
  842    HG   SER 107           HG       SER 107 -10.964 -10.593   5.907
  843    H    THR 108           H        THR 108  -9.711  -6.829   4.833
  844    HA   THR 108           HA       THR 108 -10.433  -4.387   6.070
  845    HB   THR 108           HB       THR 108  -8.048  -5.106   4.346
  846    HG1  THR 108           1HG      THR 108  -8.063  -6.357   6.176
  847   1HG2  THR 108          1HG2      THR 108  -6.976  -3.173   5.443
  848   2HG2  THR 108          2HG2      THR 108  -8.486  -2.799   6.265
  849   3HG2  THR 108          3HG2      THR 108  -8.383  -2.687   4.508
  850    H    ILE 109           H        ILE 109 -10.419  -5.629   2.783
  851    HA   ILE 109           HA       ILE 109 -10.775  -3.170   1.443
  852    HB   ILE 109           HB       ILE 109 -11.890  -5.879   0.627
  853   1HG1  ILE 109          2HG1      ILE 109  -9.255  -4.588  -0.126
  854   2HG1  ILE 109          1HG1      ILE 109  -9.436  -5.921   1.005
  855   1HG2  ILE 109          1HG2      ILE 109 -11.842  -4.921  -1.657
  856   2HG2  ILE 109          2HG2      ILE 109 -11.290  -3.387  -0.960
  857   3HG2  ILE 109          3HG2      ILE 109 -12.888  -4.001  -0.562
  858   1HD1  ILE 109          1HD1      ILE 109  -8.697  -6.718  -1.147
  859   2HD1  ILE 109          2HD1      ILE 109 -10.081  -5.963  -1.931
  860   3HD1  ILE 109          3HD1      ILE 109 -10.328  -7.313  -0.829
  861    H    ALA 110           H        ALA 110 -13.046  -5.558   2.743
  862    HA   ALA 110           HA       ALA 110 -15.406  -4.088   2.140
  863   1HB   ALA 110          1HB       ALA 110 -16.540  -5.654   3.623
  864   2HB   ALA 110          2HB       ALA 110 -14.990  -6.196   4.266
  865   3HB   ALA 110          3HB       ALA 110 -15.410  -6.523   2.586
  866    H    LYS 111           H        LYS 111 -13.213  -4.054   4.806
  867    HA   LYS 111           HA       LYS 111 -14.632  -2.500   6.662
  868   1HB   LYS 111          2HB       LYS 111 -12.350  -3.623   6.865
  869   2HB   LYS 111          1HB       LYS 111 -11.805  -2.242   5.946
  870   1HG   LYS 111          2HG       LYS 111 -12.522  -0.709   7.708
  871   2HG   LYS 111          1HG       LYS 111 -13.031  -2.092   8.686
  872   1HD   LYS 111          2HD       LYS 111 -10.711  -2.948   8.598
  873   2HD   LYS 111          1HD       LYS 111 -10.231  -1.489   7.740
  874   1HE   LYS 111          2HE       LYS 111  -9.675  -1.213  10.066
  875   2HE   LYS 111          1HE       LYS 111 -11.025  -0.147   9.688
  876   1HZ   LYS 111          1HZ       LYS 111 -11.383  -1.264  11.776
  877   2HZ   LYS 111          2HZ       LYS 111 -11.165  -2.757  11.067
  878   3HZ   LYS 111          3HZ       LYS 111 -12.521  -1.838  10.665
  879    H    HIS 112           H        HIS 112 -12.554  -1.657   3.940
  880    HA   HIS 112           HA       HIS 112 -13.008   1.143   4.247
  881   1HB   HIS 112          2HB       HIS 112 -11.428  -0.497   2.322
  882   2HB   HIS 112          1HB       HIS 112 -11.679   1.219   2.067
  883    HD1  HIS 112           1HD      HIS 112 -10.287   2.805   3.465
  884    HD2  HIS 112           2HD      HIS 112  -9.904  -1.150   4.599
  885    HE1  HIS 112           1HE      HIS 112  -8.368   2.766   5.093
  886    HE2  HIS 112           2HE      HIS 112  -8.481   0.469   6.059
  887    H    LEU 113           H        LEU 113 -15.005  -1.241   2.930
  888    HA   LEU 113           HA       LEU 113 -15.943   0.360   0.802
  889   1HB   LEU 113          2HB       LEU 113 -15.756  -2.194   1.091
  890   2HB   LEU 113          1HB       LEU 113 -17.128  -1.995   2.145
  891    HG   LEU 113           HG       LEU 113 -17.510  -2.889  -0.039
  892   1HD1  LEU 113          1HD1      LEU 113 -19.426  -1.938   1.134
  893   2HD1  LEU 113          2HD1      LEU 113 -19.603  -1.554  -0.578
  894   3HD1  LEU 113          3HD1      LEU 113 -19.027  -0.326   0.548
  895   1HD2  LEU 113          1HD2      LEU 113 -16.891  -0.138  -1.056
  896   2HD2  LEU 113          2HD2      LEU 113 -17.690  -1.383  -2.015
  897   3HD2  LEU 113          3HD2      LEU 113 -16.053  -1.650  -1.414
  898    H    ALA 114           H        ALA 114 -15.961   0.618   3.847
  899    HA   ALA 114           HA       ALA 114 -18.685   1.720   4.173
  900   1HB   ALA 114          1HB       ALA 114 -18.411   1.446   6.599
  901   2HB   ALA 114          2HB       ALA 114 -16.785   0.807   6.339
  902   3HB   ALA 114          3HB       ALA 114 -18.184  -0.084   5.750
  Start of MODEL   14
    1    H    MET   1           H        MET   1 -14.327   7.589 -20.562
    2    HA   MET   1           HA       MET   1 -12.331   8.796 -18.919
    3   1HB   MET   1          2HB       MET   1 -13.468   7.661 -17.028
    4   2HB   MET   1          1HB       MET   1 -14.581   8.594 -18.004
    5   1HG   MET   1          2HG       MET   1 -14.243   5.598 -18.142
    6   2HG   MET   1          1HG       MET   1 -15.495   6.430 -17.231
    7   1HE   MET   1          1HE       MET   1 -17.473   4.781 -20.185
    8   2HE   MET   1          2HE       MET   1 -17.354   4.971 -18.436
    9   3HE   MET   1          3HE       MET   1 -16.087   4.121 -19.317
   10    H    ALA   2           H        ALA   2 -10.406   8.018 -18.593
   11    HA   ALA   2           HA       ALA   2 -10.011   5.117 -18.711
   12   1HB   ALA   2          1HB       ALA   2  -8.235   7.172 -20.035
   13   2HB   ALA   2          2HB       ALA   2  -9.330   6.067 -20.862
   14   3HB   ALA   2          3HB       ALA   2  -7.943   5.431 -19.974
   15    H    SER   3           H        SER   3  -8.152   4.388 -17.534
   16    HA   SER   3           HA       SER   3  -6.712   6.268 -15.884
   17   1HB   SER   3          2HB       SER   3  -8.465   4.103 -14.662
   18   2HB   SER   3          1HB       SER   3  -7.339   5.125 -13.772
   19    HG   SER   3           HG       SER   3  -8.995   6.587 -15.306
   20    H    GLU   4           H        GLU   4  -4.841   5.173 -14.860
   21    HA   GLU   4           HA       GLU   4  -4.042   2.900 -16.460
   22   1HB   GLU   4          2HB       GLU   4  -2.495   4.868 -16.057
   23   2HB   GLU   4          1HB       GLU   4  -2.433   4.383 -14.368
   24   1HG   GLU   4          2HG       GLU   4  -0.484   3.607 -15.584
   25   2HG   GLU   4          1HG       GLU   4  -1.458   2.261 -14.991
   26    H    GLU   5           H        GLU   5  -5.047   1.214 -15.747
   27    HA   GLU   5           HA       GLU   5  -5.651   0.805 -12.954
   28   1HB   GLU   5          2HB       GLU   5  -6.336  -0.788 -15.411
   29   2HB   GLU   5          1HB       GLU   5  -7.040  -0.983 -13.810
   30   1HG   GLU   5          2HG       GLU   5  -8.114   1.129 -13.925
   31   2HG   GLU   5          1HG       GLU   5  -7.208   1.582 -15.364
   32    H    GLY   6           H        GLY   6  -4.771  -0.758 -11.691
   33   1HA   GLY   6          2HA       GLY   6  -3.805  -2.822 -11.197
   34   2HA   GLY   6          1HA       GLY   6  -3.440  -3.029 -12.900
   35    H    GLN   7           H        GLN   7  -2.369  -0.005 -11.833
   36    HA   GLN   7           HA       GLN   7   0.280  -1.175 -11.561
   37   1HB   GLN   7          2HB       GLN   7  -0.388   1.591 -12.241
   38   2HB   GLN   7          1HB       GLN   7   1.209   0.933 -12.206
   39   1HG   GLN   7          2HG       GLN   7  -0.918  -0.006 -14.152
   40   2HG   GLN   7          1HG       GLN   7   0.401   1.086 -14.557
   41   1HE2  GLN   7          1HE2      GLN   7   1.196  -0.336 -16.112
   42   2HE2  GLN   7          2HE2      GLN   7   2.025  -1.788 -15.691
   43    H    VAL   8           H        VAL   8   1.541  -0.623 -10.101
   44    HA   VAL   8           HA       VAL   8   0.492   0.804  -7.738
   45    HB   VAL   8           HB       VAL   8   2.398  -1.557  -7.766
   46   1HG1  VAL   8          1HG1      VAL   8   2.089  -1.586  -5.348
   47   2HG1  VAL   8          2HG1      VAL   8   1.109  -0.119  -5.452
   48   3HG1  VAL   8          3HG1      VAL   8   2.816  -0.078  -5.894
   49   1HG2  VAL   8          1HG2      VAL   8   0.140  -2.257  -8.373
   50   2HG2  VAL   8          2HG2      VAL   8  -0.505  -1.457  -6.939
   51   3HG2  VAL   8          3HG2      VAL   8   0.567  -2.845  -6.765
   52    H    ILE   9           H        ILE   9   1.883   2.357  -6.815
   53    HA   ILE   9           HA       ILE   9   4.216   2.945  -8.389
   54    HB   ILE   9           HB       ILE   9   2.920   4.449  -6.099
   55   1HG1  ILE   9          2HG1      ILE   9   2.593   6.218  -7.886
   56   2HG1  ILE   9          1HG1      ILE   9   3.120   5.037  -9.057
   57   1HG2  ILE   9          1HG2      ILE   9   4.507   6.274  -6.516
   58   2HG2  ILE   9          2HG2      ILE   9   5.356   5.257  -7.680
   59   3HG2  ILE   9          3HG2      ILE   9   5.320   4.802  -5.977
   60   1HD1  ILE   9          1HD1      ILE   9   0.665   4.814  -7.321
   61   2HD1  ILE   9          2HD1      ILE   9   1.197   3.623  -8.507
   62   3HD1  ILE   9          3HD1      ILE   9   0.695   5.231  -9.036
   63    H    ALA  10           H        ALA  10   6.066   2.009  -7.895
   64    HA   ALA  10           HA       ALA  10   6.503   1.098  -5.161
   65   1HB   ALA  10          1HB       ALA  10   8.003   0.393  -7.680
   66   2HB   ALA  10          2HB       ALA  10   6.740  -0.585  -6.934
   67   3HB   ALA  10          3HB       ALA  10   8.265  -0.316  -6.087
   68    H    CYS  11           H        CYS  11   7.493   2.562  -3.920
   69    HA   CYS  11           HA       CYS  11   9.296   4.459  -5.119
   70   1HB   CYS  11          2HB       CYS  11   8.473   4.206  -2.238
   71   2HB   CYS  11          1HB       CYS  11   9.189   5.548  -3.061
   72    HG   CYS  11           HG       CYS  11   5.951   4.730  -2.944
   73    H    HIS  12           H        HIS  12  11.417   4.202  -4.977
   74    HA   HIS  12           HA       HIS  12  12.436   2.260  -3.023
   75   1HB   HIS  12          2HB       HIS  12  13.598   2.906  -5.741
   76   2HB   HIS  12          1HB       HIS  12  14.290   1.786  -4.572
   77    HD1  HIS  12           1HD      HIS  12  12.576  -0.299  -3.941
   78    HD2  HIS  12           2HD      HIS  12  11.899   1.759  -7.489
   79    HE1  HIS  12           1HE      HIS  12  11.171  -1.812  -5.332
   80    HE2  HIS  12           2HE      HIS  12  11.125  -0.707  -7.567
   81    H    THR  13           H        THR  13  12.010   5.306  -3.306
   82    HA   THR  13           HA       THR  13  14.504   5.991  -1.992
   83    HB   THR  13           HB       THR  13  14.451   8.241  -3.204
   84    HG1  THR  13           1HG      THR  13  13.448   7.414  -5.464
   85   1HG2  THR  13          1HG2      THR  13  15.060   5.787  -4.867
   86   2HG2  THR  13          2HG2      THR  13  16.166   6.566  -3.733
   87   3HG2  THR  13          3HG2      THR  13  15.656   7.412  -5.194
   88    H    VAL  14           H        VAL  14  14.282   7.634  -0.444
   89    HA   VAL  14           HA       VAL  14  11.713   7.725   0.711
   90    HB   VAL  14           HB       VAL  14  13.754   7.739   2.096
   91   1HG1  VAL  14          1HG1      VAL  14  15.077   9.771   2.415
   92   2HG1  VAL  14          2HG1      VAL  14  14.211  10.518   1.070
   93   3HG1  VAL  14          3HG1      VAL  14  15.211   9.093   0.793
   94   1HG2  VAL  14          1HG2      VAL  14  13.091   9.449   3.746
   95   2HG2  VAL  14          2HG2      VAL  14  11.712   8.542   3.128
   96   3HG2  VAL  14          3HG2      VAL  14  12.027  10.174   2.540
   97    H    GLU  15           H        GLU  15  13.354   9.831  -1.479
   98    HA   GLU  15           HA       GLU  15  11.798  12.160  -1.085
   99   1HB   GLU  15          2HB       GLU  15  13.896  12.112  -2.405
  100   2HB   GLU  15          1HB       GLU  15  13.076  11.164  -3.624
  101   1HG   GLU  15          2HG       GLU  15  11.528  12.980  -4.060
  102   2HG   GLU  15          1HG       GLU  15  12.309  13.957  -2.823
  103    H    THR  16           H        THR  16  11.489   9.488  -3.388
  104    HA   THR  16           HA       THR  16   9.109  10.348  -4.613
  105    HB   THR  16           HB       THR  16   9.934   7.459  -4.154
  106    HG1  THR  16           1HG      THR  16  11.644   8.215  -5.203
  107   1HG2  THR  16          1HG2      THR  16   7.657   7.763  -5.050
  108   2HG2  THR  16          2HG2      THR  16   8.726   7.056  -6.262
  109   3HG2  THR  16          3HG2      THR  16   8.303   8.766  -6.346
  110    H    TRP  17           H        TRP  17   9.727   8.327  -1.805
  111    HA   TRP  17           HA       TRP  17   7.148   7.629  -1.071
  112   1HB   TRP  17          2HB       TRP  17   9.026   6.589  -0.013
  113   2HB   TRP  17          1HB       TRP  17   9.656   8.140   0.517
  114    HD1  TRP  17           HD       TRP  17   9.361   8.493   3.009
  115    HE1  TRP  17           1HE      TRP  17   7.689   7.765   4.804
  116    HE3  TRP  17           3HE      TRP  17   6.127   5.853   0.066
  117    HZ2  TRP  17           2HZ      TRP  17   5.296   6.281   4.957
  118    HZ3  TRP  17           3HZ      TRP  17   4.172   4.822   1.121
  119    HH2  TRP  17           HH       TRP  17   3.772   5.040   3.528
  120    H    ASN  18           H        ASN  18   9.068  10.422  -0.005
  121    HA   ASN  18           HA       ASN  18   7.095  11.619   1.596
  122   1HB   ASN  18          2HB       ASN  18   9.534  12.214   1.606
  123   2HB   ASN  18          1HB       ASN  18   9.289  13.031   0.070
  124   1HD2  ASN  18          1HD2      ASN  18   8.751  13.101   3.408
  125   2HD2  ASN  18          2HD2      ASN  18   8.191  14.730   3.572
  126    H    GLU  19           H        GLU  19   8.020  12.173  -1.769
  127    HA   GLU  19           HA       GLU  19   6.385  14.338  -2.370
  128   1HB   GLU  19          2HB       GLU  19   8.224  13.507  -3.786
  129   2HB   GLU  19          1HB       GLU  19   7.262  12.093  -4.186
  130   1HG   GLU  19          2HG       GLU  19   5.584  13.575  -5.226
  131   2HG   GLU  19          1HG       GLU  19   6.634  14.950  -4.889
  132    H    GLN  20           H        GLN  20   5.720  10.812  -2.771
  133    HA   GLN  20           HA       GLN  20   3.270  11.167  -3.940
  134   1HB   GLN  20          2HB       GLN  20   4.683   8.988  -2.630
  135   2HB   GLN  20          1HB       GLN  20   3.049   8.760  -3.229
  136   1HG   GLN  20          2HG       GLN  20   5.425   9.664  -4.888
  137   2HG   GLN  20          1HG       GLN  20   4.851   8.003  -4.824
  138   1HE2  GLN  20          1HE2      GLN  20   4.518   8.020  -7.040
  139   2HE2  GLN  20          2HE2      GLN  20   3.215   8.831  -7.812
  140    H    LEU  21           H        LEU  21   4.194  10.885  -0.492
  141    HA   LEU  21           HA       LEU  21   1.638  10.439   0.434
  142   1HB   LEU  21          2HB       LEU  21   4.059  11.683   1.524
  143   2HB   LEU  21          1HB       LEU  21   2.635  11.397   2.480
  144    HG   LEU  21           HG       LEU  21   4.441   9.330   1.212
  145   1HD1  LEU  21          1HD1      LEU  21   5.374  10.376   3.196
  146   2HD1  LEU  21          2HD1      LEU  21   4.945   8.697   3.512
  147   3HD1  LEU  21          3HD1      LEU  21   3.905   9.998   4.100
  148   1HD2  LEU  21          1HD2      LEU  21   1.938   8.914   2.861
  149   2HD2  LEU  21          2HD2      LEU  21   3.051   7.649   2.343
  150   3HD2  LEU  21          3HD2      LEU  21   2.127   8.545   1.144
  151    H    GLN  22           H        GLN  22   3.522  13.386  -0.027
  152    HA   GLN  22           HA       GLN  22   1.610  15.159   0.992
  153   1HB   GLN  22          2HB       GLN  22   3.542  15.780  -1.260
  154   2HB   GLN  22          1HB       GLN  22   2.840  16.927  -0.134
  155   1HG   GLN  22          2HG       GLN  22   4.872  14.793   0.489
  156   2HG   GLN  22          1HG       GLN  22   5.151  16.527   0.412
  157   1HE2  GLN  22          1HE2      GLN  22   5.567  14.596   2.540
  158   2HE2  GLN  22          2HE2      GLN  22   4.689  15.182   3.908
  159    H    LYS  23           H        LYS  23   2.179  13.770  -2.105
  160    HA   LYS  23           HA       LYS  23   0.296  15.138  -3.676
  161   1HB   LYS  23          2HB       LYS  23   2.257  14.022  -4.578
  162   2HB   LYS  23          1HB       LYS  23   1.728  12.500  -3.930
  163   1HG   LYS  23          2HG       LYS  23   0.241  13.922  -6.126
  164   2HG   LYS  23          1HG       LYS  23   1.597  12.844  -6.434
  165   1HD   LYS  23          2HD       LYS  23   0.295  11.087  -5.149
  166   2HD   LYS  23          1HD       LYS  23  -1.081  12.188  -5.223
  167   1HE   LYS  23          2HE       LYS  23  -1.151  10.555  -7.040
  168   2HE   LYS  23          1HE       LYS  23  -0.952  12.197  -7.655
  169   1HZ   LYS  23          1HZ       LYS  23   0.535  10.522  -8.726
  170   2HZ   LYS  23          2HZ       LYS  23   1.391  10.391  -7.245
  171   3HZ   LYS  23          3HZ       LYS  23   1.312  11.838  -8.059
  172    H    ALA  24           H        ALA  24   0.153  12.004  -1.915
  173    HA   ALA  24           HA       ALA  24  -2.438  11.309  -2.764
  174   1HB   ALA  24          1HB       ALA  24  -2.399   9.699  -0.931
  175   2HB   ALA  24          2HB       ALA  24  -0.996  10.510  -0.237
  176   3HB   ALA  24          3HB       ALA  24  -0.862   9.695  -1.794
  177    H    ASN  25           H        ASN  25  -1.221  13.107  -0.024
  178    HA   ASN  25           HA       ASN  25  -3.625  13.456   1.425
  179   1HB   ASN  25          2HB       ASN  25  -1.213  14.063   2.124
  180   2HB   ASN  25          1HB       ASN  25  -1.431  15.458   1.144
  181   1HD2  ASN  25          1HD2      ASN  25  -2.545  13.976   4.100
  182   2HD2  ASN  25          2HD2      ASN  25  -3.308  15.383   4.732
  183    H    GLU  26           H        GLU  26  -1.948  15.463  -0.830
  184    HA   GLU  26           HA       GLU  26  -3.777  17.606  -1.033
  185   1HB   GLU  26          2HB       GLU  26  -1.516  17.782  -1.857
  186   2HB   GLU  26          1HB       GLU  26  -1.848  16.591  -3.104
  187   1HG   GLU  26          2HG       GLU  26  -3.448  18.096  -4.133
  188   2HG   GLU  26          1HG       GLU  26  -3.150  19.291  -2.872
  189    H    SER  27           H        SER  27  -3.501  14.682  -3.020
  190    HA   SER  27           HA       SER  27  -5.669  15.489  -4.680
  191   1HB   SER  27          2HB       SER  27  -4.221  12.870  -4.445
  192   2HB   SER  27          1HB       SER  27  -5.337  13.313  -5.740
  193    HG   SER  27           HG       SER  27  -2.853  14.571  -5.111
  194    H    LYS  28           H        LYS  28  -5.443  14.173  -1.619
  195    HA   LYS  28           HA       LYS  28  -6.820  13.172  -0.170
  196   1HB   LYS  28          2HB       LYS  28  -8.833  14.338  -1.989
  197   2HB   LYS  28          1HB       LYS  28  -9.217  13.763  -0.362
  198   1HG   LYS  28          2HG       LYS  28  -7.599  15.422   0.538
  199   2HG   LYS  28          1HG       LYS  28  -7.362  16.030  -1.096
  200   1HD   LYS  28          2HD       LYS  28  -9.938  16.044   0.465
  201   2HD   LYS  28          1HD       LYS  28  -8.903  17.434   0.135
  202   1HE   LYS  28          2HE       LYS  28  -9.296  17.096  -2.282
  203   2HE   LYS  28          1HE       LYS  28 -10.387  15.771  -1.884
  204   1HZ   LYS  28          1HZ       LYS  28 -10.726  18.612  -1.142
  205   2HZ   LYS  28          2HZ       LYS  28 -11.707  17.363  -0.596
  206   3HZ   LYS  28          3HZ       LYS  28 -11.671  17.731  -2.246
  207    H    THR  29           H        THR  29  -5.852  11.598  -2.181
  208    HA   THR  29           HA       THR  29  -7.974   9.827  -3.022
  209    HB   THR  29           HB       THR  29  -5.049   9.376  -3.242
  210    HG1  THR  29           1HG      THR  29  -6.746  11.197  -4.568
  211   1HG2  THR  29          1HG2      THR  29  -7.384   8.582  -4.992
  212   2HG2  THR  29          2HG2      THR  29  -6.482   7.531  -3.901
  213   3HG2  THR  29          3HG2      THR  29  -5.700   8.196  -5.333
  214    H    LEU  30           H        LEU  30  -8.151   7.805  -2.190
  215    HA   LEU  30           HA       LEU  30  -7.250   7.435   0.475
  216   1HB   LEU  30          2HB       LEU  30  -9.458   6.577  -0.378
  217   2HB   LEU  30          1HB       LEU  30  -8.614   5.460  -1.413
  218    HG   LEU  30           HG       LEU  30  -8.589   5.310   1.626
  219   1HD1  LEU  30          1HD1      LEU  30 -10.177   3.473   1.357
  220   2HD1  LEU  30          2HD1      LEU  30 -10.256   3.794  -0.375
  221   3HD1  LEU  30          3HD1      LEU  30 -10.840   4.999   0.773
  222   1HD2  LEU  30          1HD2      LEU  30  -7.791   3.029   1.287
  223   2HD2  LEU  30          2HD2      LEU  30  -6.684   4.169   0.518
  224   3HD2  LEU  30          3HD2      LEU  30  -7.833   3.255  -0.460
  225    H    VAL  31           H        VAL  31  -5.318   6.318   1.050
  226    HA   VAL  31           HA       VAL  31  -3.830   5.268  -1.228
  227    HB   VAL  31           HB       VAL  31  -3.013   7.499  -0.685
  228   1HG1  VAL  31          1HG1      VAL  31  -1.929   8.029   1.435
  229   2HG1  VAL  31          2HG1      VAL  31  -2.400   6.454   2.056
  230   3HG1  VAL  31          3HG1      VAL  31  -3.642   7.643   1.647
  231   1HG2  VAL  31          1HG2      VAL  31  -1.055   5.360   0.144
  232   2HG2  VAL  31          2HG2      VAL  31  -0.630   7.000  -0.349
  233   3HG2  VAL  31          3HG2      VAL  31  -1.386   5.901  -1.504
  234    H    VAL  32           H        VAL  32  -2.665   3.481  -0.948
  235    HA   VAL  32           HA       VAL  32  -2.697   2.297   1.721
  236    HB   VAL  32           HB       VAL  32  -4.268   1.154   0.099
  237   1HG1  VAL  32          1HG1      VAL  32  -3.412  -0.238  -1.625
  238   2HG1  VAL  32          2HG1      VAL  32  -1.825   0.525  -1.425
  239   3HG1  VAL  32          3HG1      VAL  32  -3.228   1.489  -1.908
  240   1HG2  VAL  32          1HG2      VAL  32  -3.367  -0.106   1.995
  241   2HG2  VAL  32          2HG2      VAL  32  -1.950  -0.530   1.039
  242   3HG2  VAL  32          3HG2      VAL  32  -3.538  -1.140   0.575
  243    H    VAL  33           H        VAL  33  -0.811   1.618   2.452
  244    HA   VAL  33           HA       VAL  33   1.455   1.787   0.610
  245    HB   VAL  33           HB       VAL  33   1.502   2.136   3.616
  246   1HG1  VAL  33          1HG1      VAL  33   3.649   2.540   1.537
  247   2HG1  VAL  33          2HG1      VAL  33   3.568   1.229   2.706
  248   3HG1  VAL  33          3HG1      VAL  33   3.805   2.886   3.261
  249   1HG2  VAL  33          1HG2      VAL  33   0.343   3.992   2.509
  250   2HG2  VAL  33          2HG2      VAL  33   1.733   4.237   1.449
  251   3HG2  VAL  33          3HG2      VAL  33   1.884   4.502   3.190
  252    H    ASP  34           H        ASP  34   2.156  -0.082   0.072
  253    HA   ASP  34           HA       ASP  34   1.851  -2.404   1.803
  254   1HB   ASP  34          2HB       ASP  34   1.042  -2.609  -0.466
  255   2HB   ASP  34          1HB       ASP  34   2.561  -2.021  -1.107
  256    H    PHE  35           H        PHE  35   3.561  -2.652   3.167
  257    HA   PHE  35           HA       PHE  35   6.199  -1.809   2.336
  258   1HB   PHE  35          2HB       PHE  35   5.152  -3.015   4.899
  259   2HB   PHE  35          1HB       PHE  35   6.791  -2.453   4.634
  260    HD1  PHE  35           1HD      PHE  35   7.224  -0.017   4.364
  261    HD2  PHE  35           2HD      PHE  35   3.384  -1.511   5.425
  262    HE1  PHE  35           1HE      PHE  35   6.558   2.224   5.150
  263    HE2  PHE  35           2HE      PHE  35   2.726   0.719   6.208
  264    HZ   PHE  35           HZ       PHE  35   4.314   2.586   6.071
  265    H    THR  36           H        THR  36   7.452  -3.232   1.316
  266    HA   THR  36           HA       THR  36   7.133  -6.103   1.829
  267    HB   THR  36           HB       THR  36   5.538  -5.541   0.012
  268    HG1  THR  36           1HG      THR  36   6.462  -6.920  -1.613
  269   1HG2  THR  36          1HG2      THR  36   6.361  -4.727  -2.164
  270   2HG2  THR  36          2HG2      THR  36   7.978  -4.551  -1.478
  271   3HG2  THR  36          3HG2      THR  36   6.656  -3.552  -0.880
  272    H    ALA  37           H        ALA  37   8.776  -7.270   0.378
  273    HA   ALA  37           HA       ALA  37  11.078  -5.685  -0.410
  274   1HB   ALA  37          1HB       ALA  37  11.724  -6.577   1.777
  275   2HB   ALA  37          2HB       ALA  37  12.638  -7.388   0.504
  276   3HB   ALA  37          3HB       ALA  37  11.272  -8.200   1.264
  277    H    SER  38           H        SER  38  12.143  -6.621  -2.210
  278    HA   SER  38           HA       SER  38  10.429  -8.210  -3.809
  279   1HB   SER  38          2HB       SER  38  11.939  -6.507  -4.771
  280   2HB   SER  38          1HB       SER  38  13.335  -7.472  -4.292
  281    HG   SER  38           HG       SER  38  11.287  -8.161  -6.117
  282    H    TRP  39           H        TRP  39  12.811  -9.018  -1.500
  283    HA   TRP  39           HA       TRP  39  13.086 -11.731  -2.543
  284   1HB   TRP  39          2HB       TRP  39  14.828 -11.971  -0.685
  285   2HB   TRP  39          1HB       TRP  39  15.205 -10.860  -1.987
  286    HD1  TRP  39           HD       TRP  39  15.902  -8.554  -1.313
  287    HE1  TRP  39           1HE      TRP  39  16.013  -7.186   0.876
  288    HE3  TRP  39           3HE      TRP  39  13.358 -11.743   1.755
  289    HZ2  TRP  39           2HZ      TRP  39  15.116  -7.433   3.530
  290    HZ3  TRP  39           3HZ      TRP  39  13.022 -11.098   4.105
  291    HH2  TRP  39           HH       TRP  39  13.884  -8.992   4.972
  292    H    CYS  40           H        CYS  40  10.852 -10.315  -0.835
  293    HA   CYS  40           HA       CYS  40  10.702 -12.217   1.360
  294   1HB   CYS  40          2HB       CYS  40  10.261  -9.955   1.953
  295   2HB   CYS  40          1HB       CYS  40   9.086  -9.758   0.664
  296    H    GLY  41           H        GLY  41   9.563 -14.007   1.270
  297   1HA   GLY  41          2HA       GLY  41   8.335 -14.936  -1.065
  298   2HA   GLY  41          1HA       GLY  41   8.234 -15.694   0.513
  299    HA   PRO  42           HA       PRO  42   3.975 -14.678   1.003
  300   1HB   PRO  42          2HB       PRO  42   3.821 -12.952   3.178
  301   2HB   PRO  42          1HB       PRO  42   3.928 -14.710   3.301
  302   1HG   PRO  42          2HG       PRO  42   6.079 -12.654   3.556
  303   2HG   PRO  42          1HG       PRO  42   5.834 -14.143   4.485
  304   1HD   PRO  42          2HD       PRO  42   7.681 -13.993   2.551
  305   2HD   PRO  42          1HD       PRO  42   6.751 -15.478   2.822
  306    H    CYS  43           H        CYS  43   6.128 -11.975   1.152
  307    HA   CYS  43           HA       CYS  43   4.295  -9.916   0.526
  308   1HB   CYS  43          2HB       CYS  43   7.244 -10.076  -0.019
  309   2HB   CYS  43          1HB       CYS  43   6.288  -8.605   0.063
  310    H    ARG  44           H        ARG  44   6.352 -12.044  -1.446
  311    HA   ARG  44           HA       ARG  44   5.641 -10.692  -3.871
  312   1HB   ARG  44          2HB       ARG  44   7.816 -11.921  -3.533
  313   2HB   ARG  44          1HB       ARG  44   6.909 -13.426  -3.562
  314   1HG   ARG  44          2HG       ARG  44   6.172 -12.942  -5.834
  315   2HG   ARG  44          1HG       ARG  44   7.074 -11.429  -5.806
  316   1HD   ARG  44          2HD       ARG  44   9.146 -12.733  -5.425
  317   2HD   ARG  44          1HD       ARG  44   8.217 -14.222  -5.618
  318    HE   ARG  44           HE       ARG  44   7.941 -12.361  -7.773
  319   1HH1  ARG  44          1HH1      ARG  44   9.892 -15.096  -6.576
  320   2HH1  ARG  44          2HH1      ARG  44  10.539 -15.481  -8.089
  321   1HH2  ARG  44          1HH2      ARG  44   8.875 -12.896  -9.864
  322   2HH2  ARG  44          2HH2      ARG  44   9.954 -14.194 -10.009
  323    H    PHE  45           H        PHE  45   4.583 -13.458  -2.068
  324    HA   PHE  45           HA       PHE  45   2.876 -14.614  -3.994
  325   1HB   PHE  45          2HB       PHE  45   3.672 -15.836  -2.014
  326   2HB   PHE  45          1HB       PHE  45   2.758 -14.753  -0.980
  327    HD1  PHE  45           1HD      PHE  45   2.352 -17.243  -3.704
  328    HD2  PHE  45           2HD      PHE  45   0.563 -15.277  -0.381
  329    HE1  PHE  45           1HE      PHE  45   0.425 -18.762  -3.847
  330    HE2  PHE  45           2HE      PHE  45  -1.371 -16.795  -0.520
  331    HZ   PHE  45           HZ       PHE  45  -1.437 -18.542  -2.255
  332    H    ILE  46           H        ILE  46   2.446 -11.902  -1.864
  333    HA   ILE  46           HA       ILE  46  -0.427 -11.988  -2.199
  334    HB   ILE  46           HB       ILE  46   0.667 -11.258  -0.019
  335   1HG1  ILE  46          2HG1      ILE  46  -0.930  -9.347   0.371
  336   2HG1  ILE  46          1HG1      ILE  46  -1.277  -9.379  -1.353
  337   1HG2  ILE  46          1HG2      ILE  46   2.442  -9.878  -0.920
  338   2HG2  ILE  46          2HG2      ILE  46   1.436  -8.944   0.186
  339   3HG2  ILE  46          3HG2      ILE  46   1.260  -8.735  -1.557
  340   1HD1  ILE  46          1HD1      ILE  46  -2.113 -11.642  -1.172
  341   2HD1  ILE  46          2HD1      ILE  46  -2.957 -10.584  -0.033
  342   3HD1  ILE  46          3HD1      ILE  46  -1.668 -11.659   0.530
  343    H    ALA  47           H        ALA  47   2.140 -10.884  -3.982
  344    HA   ALA  47           HA       ALA  47   1.360  -8.356  -4.836
  345   1HB   ALA  47          1HB       ALA  47   2.960 -10.335  -6.456
  346   2HB   ALA  47          2HB       ALA  47   3.619  -9.276  -5.211
  347   3HB   ALA  47          3HB       ALA  47   2.917  -8.586  -6.674
  348    HA   PRO  48           HA       PRO  48  -0.810 -10.545  -8.750
  349   1HB   PRO  48          2HB       PRO  48  -2.225 -12.761  -7.768
  350   2HB   PRO  48          1HB       PRO  48  -0.845 -12.806  -8.862
  351   1HG   PRO  48          2HG       PRO  48  -0.944 -13.181  -5.907
  352   2HG   PRO  48          1HG       PRO  48   0.102 -13.967  -7.101
  353   1HD   PRO  48          2HD       PRO  48   1.046 -12.060  -5.505
  354   2HD   PRO  48          1HD       PRO  48   1.550 -12.148  -7.206
  355    H    PHE  49           H        PHE  49  -2.137 -10.989  -5.459
  356    HA   PHE  49           HA       PHE  49  -4.740 -10.200  -6.366
  357   1HB   PHE  49          2HB       PHE  49  -4.554 -11.795  -4.499
  358   2HB   PHE  49          1HB       PHE  49  -3.770 -10.560  -3.518
  359    HD1  PHE  49           1HD      PHE  49  -6.928 -11.461  -5.210
  360    HD2  PHE  49           2HD      PHE  49  -5.048  -8.943  -2.342
  361    HE1  PHE  49           1HE      PHE  49  -9.136 -10.670  -4.464
  362    HE2  PHE  49           2HE      PHE  49  -7.251  -8.153  -1.584
  363    HZ   PHE  49           HZ       PHE  49  -9.298  -9.014  -2.653
  364    H    PHE  50           H        PHE  50  -2.072  -8.632  -4.707
  365    HA   PHE  50           HA       PHE  50  -3.484  -6.288  -4.034
  366   1HB   PHE  50          2HB       PHE  50  -1.263  -6.983  -3.074
  367   2HB   PHE  50          1HB       PHE  50  -0.516  -6.547  -4.600
  368    HD1  PHE  50           1HD      PHE  50  -2.156  -5.280  -1.580
  369    HD2  PHE  50           2HD      PHE  50  -0.140  -4.231  -5.173
  370    HE1  PHE  50           1HE      PHE  50  -1.885  -2.981  -0.752
  371    HE2  PHE  50           2HE      PHE  50   0.136  -1.937  -4.354
  372    HZ   PHE  50           HZ       PHE  50  -0.734  -1.305  -2.141
  373    H    ALA  51           H        ALA  51  -1.754  -7.308  -6.896
  374    HA   ALA  51           HA       ALA  51  -1.958  -4.844  -8.311
  375   1HB   ALA  51          1HB       ALA  51  -0.307  -6.564  -8.907
  376   2HB   ALA  51          2HB       ALA  51  -1.323  -6.142 -10.286
  377   3HB   ALA  51          3HB       ALA  51  -1.615  -7.640  -9.402
  378    H    ASP  52           H        ASP  52  -4.079  -7.554  -7.861
  379    HA   ASP  52           HA       ASP  52  -5.942  -6.983  -9.980
  380   1HB   ASP  52          2HB       ASP  52  -5.814  -9.175  -8.770
  381   2HB   ASP  52          1HB       ASP  52  -6.432  -8.370  -7.366
  382    H    LEU  53           H        LEU  53  -5.767  -6.345  -6.559
  383    HA   LEU  53           HA       LEU  53  -8.060  -4.941  -6.169
  384   1HB   LEU  53          2HB       LEU  53  -6.662  -5.926  -4.487
  385   2HB   LEU  53          1HB       LEU  53  -5.320  -4.928  -4.969
  386    HG   LEU  53           HG       LEU  53  -6.460  -3.073  -4.396
  387   1HD1  LEU  53          1HD1      LEU  53  -8.533  -4.955  -3.207
  388   2HD1  LEU  53          2HD1      LEU  53  -8.830  -3.699  -4.418
  389   3HD1  LEU  53          3HD1      LEU  53  -8.470  -3.261  -2.743
  390   1HD2  LEU  53          1HD2      LEU  53  -6.057  -5.019  -2.145
  391   2HD2  LEU  53          2HD2      LEU  53  -6.242  -3.288  -1.876
  392   3HD2  LEU  53          3HD2      LEU  53  -4.887  -3.893  -2.833
  393    H    ALA  54           H        ALA  54  -4.801  -3.941  -7.064
  394    HA   ALA  54           HA       ALA  54  -5.201  -1.167  -7.247
  395   1HB   ALA  54          1HB       ALA  54  -3.265  -2.844  -8.847
  396   2HB   ALA  54          2HB       ALA  54  -2.970  -2.204  -7.231
  397   3HB   ALA  54          3HB       ALA  54  -3.166  -1.102  -8.593
  398    H    LYS  55           H        LYS  55  -5.861  -3.701  -9.506
  399    HA   LYS  55           HA       LYS  55  -6.458  -1.969 -11.716
  400   1HB   LYS  55          2HB       LYS  55  -5.676  -4.262 -12.052
  401   2HB   LYS  55          1HB       LYS  55  -7.079  -4.882 -11.207
  402   1HG   LYS  55          2HG       LYS  55  -8.521  -4.029 -12.999
  403   2HG   LYS  55          1HG       LYS  55  -7.096  -3.425 -13.848
  404   1HD   LYS  55          2HD       LYS  55  -6.209  -5.714 -13.971
  405   2HD   LYS  55          1HD       LYS  55  -7.640  -6.307 -13.134
  406   1HE   LYS  55          2HE       LYS  55  -7.824  -6.668 -15.541
  407   2HE   LYS  55          1HE       LYS  55  -9.043  -5.527 -14.979
  408   1HZ   LYS  55          1HZ       LYS  55  -6.480  -4.778 -16.294
  409   2HZ   LYS  55          2HZ       LYS  55  -7.699  -3.713 -15.827
  410   3HZ   LYS  55          3HZ       LYS  55  -7.984  -4.814 -17.041
  411    H    LYS  56           H        LYS  56  -8.182  -3.490  -9.135
  412    HA   LYS  56           HA       LYS  56 -10.801  -3.142 -10.187
  413   1HB   LYS  56          2HB       LYS  56 -10.244  -4.979  -8.696
  414   2HB   LYS  56          1HB       LYS  56  -9.842  -3.844  -7.422
  415   1HG   LYS  56          2HG       LYS  56 -12.159  -3.137  -7.302
  416   2HG   LYS  56          1HG       LYS  56 -12.578  -4.241  -8.618
  417   1HD   LYS  56          2HD       LYS  56 -11.837  -6.137  -7.246
  418   2HD   LYS  56          1HD       LYS  56 -11.433  -5.022  -5.940
  419   1HE   LYS  56          2HE       LYS  56 -13.764  -4.362  -5.764
  420   2HE   LYS  56          1HE       LYS  56 -14.184  -5.419  -7.110
  421   1HZ   LYS  56          1HZ       LYS  56 -13.495  -7.318  -5.788
  422   2HZ   LYS  56          2HZ       LYS  56 -14.655  -6.438  -4.940
  423   3HZ   LYS  56          3HZ       LYS  56 -13.040  -6.320  -4.521
  424    H    LEU  57           H        LEU  57  -8.845  -1.300  -7.800
  425    HA   LEU  57           HA       LEU  57 -11.114   0.482  -7.593
  426   1HB   LEU  57          2HB       LEU  57  -8.889  -0.097  -5.717
  427   2HB   LEU  57          1HB       LEU  57 -10.006   1.239  -5.506
  428    HG   LEU  57           HG       LEU  57 -10.820  -1.620  -5.731
  429   1HD1  LEU  57          1HD1      LEU  57 -10.536   0.129  -3.267
  430   2HD1  LEU  57          2HD1      LEU  57  -9.503  -1.242  -3.674
  431   3HD1  LEU  57          3HD1      LEU  57 -11.202  -1.504  -3.278
  432   1HD2  LEU  57          1HD2      LEU  57 -12.343   0.844  -4.918
  433   2HD2  LEU  57          2HD2      LEU  57 -12.952  -0.803  -4.797
  434   3HD2  LEU  57          3HD2      LEU  57 -12.588  -0.123  -6.377
  435    HA   PRO  58           HA       PRO  58  -8.442   3.407  -9.744
  436   1HB   PRO  58          2HB       PRO  58 -10.404   4.843 -10.808
  437   2HB   PRO  58          1HB       PRO  58 -10.076   3.209 -11.402
  438   1HG   PRO  58          2HG       PRO  58 -12.182   4.115  -9.460
  439   2HG   PRO  58          1HG       PRO  58 -12.359   3.039 -10.857
  440   1HD   PRO  58          2HD       PRO  58 -12.051   2.074  -8.278
  441   2HD   PRO  58          1HD       PRO  58 -11.504   1.227  -9.732
  442    H    ASN  59           H        ASN  59 -10.251   3.665  -6.999
  443    HA   ASN  59           HA       ASN  59  -9.912   6.589  -6.750
  444   1HB   ASN  59          2HB       ASN  59 -12.229   5.730  -6.460
  445   2HB   ASN  59          1HB       ASN  59 -11.655   4.721  -5.143
  446   1HD2  ASN  59          1HD2      ASN  59 -11.435   5.623  -3.121
  447   2HD2  ASN  59          2HD2      ASN  59 -11.859   7.251  -2.737
  448    H    VAL  60           H        VAL  60  -8.253   3.922  -6.125
  449    HA   VAL  60           HA       VAL  60  -7.256   4.894  -3.555
  450    HB   VAL  60           HB       VAL  60  -7.288   2.021  -4.542
  451   1HG1  VAL  60          1HG1      VAL  60  -6.474   1.445  -2.287
  452   2HG1  VAL  60          2HG1      VAL  60  -6.322   3.166  -1.921
  453   3HG1  VAL  60          3HG1      VAL  60  -5.334   2.444  -3.186
  454   1HG2  VAL  60          1HG2      VAL  60  -9.517   2.751  -3.885
  455   2HG2  VAL  60          2HG2      VAL  60  -8.893   3.339  -2.350
  456   3HG2  VAL  60          3HG2      VAL  60  -8.873   1.611  -2.702
  457    H    LEU  61           H        LEU  61  -5.166   5.292  -3.434
  458    HA   LEU  61           HA       LEU  61  -3.532   4.865  -5.820
  459   1HB   LEU  61          2HB       LEU  61  -3.724   7.161  -4.848
  460   2HB   LEU  61          1HB       LEU  61  -3.012   6.562  -3.368
  461    HG   LEU  61           HG       LEU  61  -0.935   6.045  -4.611
  462   1HD1  LEU  61          1HD1      LEU  61  -0.610   6.990  -6.843
  463   2HD1  LEU  61          2HD1      LEU  61  -2.314   7.439  -6.899
  464   3HD1  LEU  61          3HD1      LEU  61  -1.850   5.737  -6.825
  465   1HD2  LEU  61          1HD2      LEU  61  -0.200   8.375  -4.860
  466   2HD2  LEU  61          2HD2      LEU  61  -1.147   8.140  -3.392
  467   3HD2  LEU  61          3HD2      LEU  61  -1.881   8.910  -4.799
  468    H    PHE  62           H        PHE  62  -2.282   3.118  -5.770
  469    HA   PHE  62           HA       PHE  62  -1.763   1.812  -3.200
  470   1HB   PHE  62          2HB       PHE  62  -1.365   0.761  -5.970
  471   2HB   PHE  62          1HB       PHE  62  -1.275  -0.153  -4.500
  472    HD1  PHE  62           1HD      PHE  62  -3.709   1.672  -6.633
  473    HD2  PHE  62           2HD      PHE  62  -3.143  -1.096  -3.470
  474    HE1  PHE  62           1HE      PHE  62  -6.110   1.129  -6.681
  475    HE2  PHE  62           2HE      PHE  62  -5.520  -1.634  -3.497
  476    HZ   PHE  62           HZ       PHE  62  -7.017  -0.531  -5.102
  477    H    LEU  63           H        LEU  63   0.275   1.619  -2.505
  478    HA   LEU  63           HA       LEU  63   2.504   2.172  -4.300
  479   1HB   LEU  63          2HB       LEU  63   2.135   3.322  -1.550
  480   2HB   LEU  63          1HB       LEU  63   3.680   3.234  -2.350
  481    HG   LEU  63           HG       LEU  63   2.641   4.691  -4.166
  482   1HD1  LEU  63          1HD1      LEU  63   0.549   5.098  -2.058
  483   2HD1  LEU  63          2HD1      LEU  63   0.313   4.392  -3.661
  484   3HD1  LEU  63          3HD1      LEU  63   0.766   6.094  -3.495
  485   1HD2  LEU  63          1HD2      LEU  63   2.962   5.818  -1.394
  486   2HD2  LEU  63          2HD2      LEU  63   2.987   6.748  -2.893
  487   3HD2  LEU  63          3HD2      LEU  63   4.243   5.554  -2.580
  488    H    LYS  64           H        LYS  64   4.282   0.956  -4.019
  489    HA   LYS  64           HA       LYS  64   4.264  -0.906  -1.841
  490   1HB   LYS  64          2HB       LYS  64   4.891  -1.154  -4.674
  491   2HB   LYS  64          1HB       LYS  64   5.933  -2.024  -3.554
  492   1HG   LYS  64          2HG       LYS  64   4.005  -3.040  -2.528
  493   2HG   LYS  64          1HG       LYS  64   2.943  -2.133  -3.596
  494   1HD   LYS  64          2HD       LYS  64   3.831  -3.336  -5.495
  495   2HD   LYS  64          1HD       LYS  64   4.968  -4.184  -4.428
  496   1HE   LYS  64          2HE       LYS  64   2.126  -4.084  -3.885
  497   2HE   LYS  64          1HE       LYS  64   2.706  -5.384  -4.992
  498   1HZ   LYS  64          1HZ       LYS  64   4.104  -6.092  -3.032
  499   2HZ   LYS  64          2HZ       LYS  64   2.460  -6.065  -2.559
  500   3HZ   LYS  64          3HZ       LYS  64   3.462  -4.856  -2.123
  501    H    VAL  65           H        VAL  65   5.894  -0.505  -0.466
  502    HA   VAL  65           HA       VAL  65   8.241   0.977  -1.452
  503    HB   VAL  65           HB       VAL  65   7.060   1.004   1.348
  504   1HG1  VAL  65          1HG1      VAL  65   8.667   2.801   1.792
  505   2HG1  VAL  65          2HG1      VAL  65   9.345   2.588   0.180
  506   3HG1  VAL  65          3HG1      VAL  65   9.471   1.291   1.369
  507   1HG2  VAL  65          1HG2      VAL  65   7.023   3.145  -0.776
  508   2HG2  VAL  65          2HG2      VAL  65   6.453   3.335   0.881
  509   3HG2  VAL  65          3HG2      VAL  65   5.637   2.217  -0.209
  510    H    ASP  66           H        ASP  66  10.079  -0.416  -1.504
  511    HA   ASP  66           HA       ASP  66   9.779  -2.729  -0.028
  512   1HB   ASP  66          2HB       ASP  66  11.558  -3.504  -1.229
  513   2HB   ASP  66          1HB       ASP  66  10.695  -2.509  -2.387
  514    H    THR  67           H        THR  67  10.516  -3.082   1.756
  515    HA   THR  67           HA       THR  67  11.658  -1.060   3.385
  516    HB   THR  67           HB       THR  67  11.601  -2.855   5.166
  517    HG1  THR  67           1HG      THR  67  10.308  -4.328   3.087
  518   1HG2  THR  67          1HG2      THR  67   9.724  -1.293   4.811
  519   2HG2  THR  67          2HG2      THR  67   9.145  -2.892   5.275
  520   3HG2  THR  67          3HG2      THR  67   9.061  -2.377   3.590
  521    H    ASP  68           H        ASP  68  13.050  -3.280   1.325
  522    HA   ASP  68           HA       ASP  68  15.450  -3.873   2.781
  523   1HB   ASP  68          2HB       ASP  68  14.628  -5.281   0.920
  524   2HB   ASP  68          1HB       ASP  68  14.876  -3.933  -0.174
  525    H    GLU  69           H        GLU  69  14.566  -1.697   0.120
  526    HA   GLU  69           HA       GLU  69  16.937  -0.205   0.193
  527   1HB   GLU  69          2HB       GLU  69  14.254  -0.032  -1.004
  528   2HB   GLU  69          1HB       GLU  69  15.242   1.370  -1.155
  529   1HG   GLU  69          2HG       GLU  69  15.852  -1.414  -2.121
  530   2HG   GLU  69          1HG       GLU  69  15.348  -0.052  -3.129
  531    H    LEU  70           H        LEU  70  13.547   0.520   1.281
  532    HA   LEU  70           HA       LEU  70  14.545   2.819   2.580
  533   1HB   LEU  70          2HB       LEU  70  11.804   1.727   2.142
  534   2HB   LEU  70          1HB       LEU  70  12.162   3.134   3.100
  535    HG   LEU  70           HG       LEU  70  11.378   3.898   1.007
  536   1HD1  LEU  70          1HD1      LEU  70  13.194   5.195   1.857
  537   2HD1  LEU  70          2HD1      LEU  70  13.213   5.173   0.098
  538   3HD1  LEU  70          3HD1      LEU  70  14.358   4.185   0.998
  539   1HD2  LEU  70          1HD2      LEU  70  11.655   1.883  -0.310
  540   2HD2  LEU  70          2HD2      LEU  70  13.405   2.103  -0.305
  541   3HD2  LEU  70          3HD2      LEU  70  12.374   3.264  -1.142
  542    H    LYS  71           H        LYS  71  15.807   1.553   4.078
  543    HA   LYS  71           HA       LYS  71  14.509   0.091   6.138
  544   1HB   LYS  71          2HB       LYS  71  17.222   1.419   6.106
  545   2HB   LYS  71          1HB       LYS  71  16.646   0.396   7.411
  546   1HG   LYS  71          2HG       LYS  71  17.041  -0.461   4.552
  547   2HG   LYS  71          1HG       LYS  71  18.147  -0.784   5.889
  548   1HD   LYS  71          2HD       LYS  71  16.375  -2.047   7.034
  549   2HD   LYS  71          1HD       LYS  71  15.285  -1.736   5.686
  550   1HE   LYS  71          2HE       LYS  71  16.856  -2.920   4.196
  551   2HE   LYS  71          1HE       LYS  71  17.858  -3.299   5.596
  552   1HZ   LYS  71          1HZ       LYS  71  15.980  -4.531   6.539
  553   2HZ   LYS  71          2HZ       LYS  71  16.390  -5.132   5.020
  554   3HZ   LYS  71          3HZ       LYS  71  15.048  -4.149   5.187
  555    H    SER  72           H        SER  72  15.392   3.470   5.766
  556    HA   SER  72           HA       SER  72  14.724   4.325   8.342
  557   1HB   SER  72          2HB       SER  72  14.509   5.823   5.747
  558   2HB   SER  72          1HB       SER  72  14.550   6.565   7.349
  559    HG   SER  72           HG       SER  72  16.602   6.639   6.863
  560    H    VAL  73           H        VAL  73  12.713   3.714   5.536
  561    HA   VAL  73           HA       VAL  73  10.370   4.849   6.723
  562    HB   VAL  73           HB       VAL  73  10.611   2.943   4.362
  563   1HG1  VAL  73          1HG1      VAL  73   8.402   2.868   5.360
  564   2HG1  VAL  73          2HG1      VAL  73   8.343   3.661   3.779
  565   3HG1  VAL  73          3HG1      VAL  73   8.272   4.624   5.260
  566   1HG2  VAL  73          1HG2      VAL  73  11.744   5.082   3.993
  567   2HG2  VAL  73          2HG2      VAL  73  10.266   5.940   4.434
  568   3HG2  VAL  73          3HG2      VAL  73  10.304   4.939   2.984
  569    H    ALA  74           H        ALA  74  11.667   1.579   6.331
  570    HA   ALA  74           HA       ALA  74   9.607   0.168   7.578
  571   1HB   ALA  74          1HB       ALA  74  12.566  -0.438   7.618
  572   2HB   ALA  74          2HB       ALA  74  11.443  -0.910   6.347
  573   3HB   ALA  74          3HB       ALA  74  11.275  -1.587   7.970
  574    H    SER  75           H        SER  75  12.393   1.849   8.925
  575    HA   SER  75           HA       SER  75  11.899   1.053  11.606
  576   1HB   SER  75          2HB       SER  75  14.147   1.645  10.816
  577   2HB   SER  75          1HB       SER  75  13.607   3.284  10.468
  578    HG   SER  75           HG       SER  75  14.277   2.080  12.845
  579    H    ASP  76           H        ASP  76  10.865   3.757   9.592
  580    HA   ASP  76           HA       ASP  76  10.064   5.408  11.782
  581   1HB   ASP  76          2HB       ASP  76  10.706   6.344   9.569
  582   2HB   ASP  76          1HB       ASP  76   9.241   5.650   8.882
  583    H    TRP  77           H        TRP  77   8.439   3.015   9.832
  584    HA   TRP  77           HA       TRP  77   6.011   3.682  11.241
  585   1HB   TRP  77          2HB       TRP  77   6.427   1.979   8.835
  586   2HB   TRP  77          1HB       TRP  77   4.849   2.251   9.581
  587    HD1  TRP  77           HD       TRP  77   7.212   3.700   7.103
  588    HE1  TRP  77           1HE      TRP  77   6.370   5.979   6.293
  589    HE3  TRP  77           3HE      TRP  77   3.532   4.468  10.544
  590    HZ2  TRP  77           2HZ      TRP  77   4.401   7.865   7.002
  591    HZ3  TRP  77           3HZ      TRP  77   2.216   6.535  10.419
  592    HH2  TRP  77           HH       TRP  77   2.638   8.203   8.682
  593    H    ALA  78           H        ALA  78   8.535   1.807  11.705
  594    HA   ALA  78           HA       ALA  78   9.076  -0.051  12.806
  595   1HB   ALA  78          1HB       ALA  78   7.788  -0.650  14.773
  596   2HB   ALA  78          2HB       ALA  78   6.406   0.271  14.176
  597   3HB   ALA  78          3HB       ALA  78   7.893   1.106  14.630
  598    H    ILE  79           H        ILE  79   8.931  -1.096  10.784
  599    HA   ILE  79           HA       ILE  79   6.692  -2.976  10.498
  600    HB   ILE  79           HB       ILE  79   9.021  -2.469   8.621
  601   1HG1  ILE  79          2HG1      ILE  79   7.644  -0.466   8.766
  602   2HG1  ILE  79          1HG1      ILE  79   7.385  -1.245   7.210
  603   1HG2  ILE  79          1HG2      ILE  79   8.069  -4.696   8.347
  604   2HG2  ILE  79          2HG2      ILE  79   7.675  -3.684   6.958
  605   3HG2  ILE  79          3HG2      ILE  79   6.455  -4.002   8.189
  606   1HD1  ILE  79          1HD1      ILE  79   5.547  -1.360   9.602
  607   2HD1  ILE  79          2HD1      ILE  79   5.280  -2.185   8.067
  608   3HD1  ILE  79          3HD1      ILE  79   5.294  -0.427   8.124
  609    H    GLN  80           H        GLN  80   6.924  -4.416  11.936
  610    HA   GLN  80           HA       GLN  80   9.461  -5.718  12.461
  611   1HB   GLN  80          2HB       GLN  80   7.630  -5.173  14.189
  612   2HB   GLN  80          1HB       GLN  80   6.693  -6.439  13.436
  613   1HG   GLN  80          2HG       GLN  80   9.299  -6.772  14.925
  614   2HG   GLN  80          1HG       GLN  80   7.703  -7.216  15.498
  615   1HE2  GLN  80          1HE2      GLN  80   6.695  -9.046  14.554
  616   2HE2  GLN  80          2HE2      GLN  80   7.629 -10.254  13.747
  617    H    ALA  81           H        ALA  81   6.241  -6.508  11.226
  618    HA   ALA  81           HA       ALA  81   7.355  -8.992  10.120
  619   1HB   ALA  81          1HB       ALA  81   5.722  -9.406  11.872
  620   2HB   ALA  81          2HB       ALA  81   5.128  -9.977  10.308
  621   3HB   ALA  81          3HB       ALA  81   4.528  -8.464  10.986
  622    H    MET  82           H        MET  82   7.486  -9.099   8.079
  623    HA   MET  82           HA       MET  82   6.060  -7.210   6.374
  624   1HB   MET  82          2HB       MET  82   8.358  -9.088   5.793
  625   2HB   MET  82          1HB       MET  82   7.695  -7.886   4.717
  626   1HG   MET  82          2HG       MET  82   8.482  -6.095   5.977
  627   2HG   MET  82          1HG       MET  82   8.793  -7.107   7.383
  628   1HE   MET  82          1HE       MET  82   9.631  -8.213   3.770
  629   2HE   MET  82          2HE       MET  82  11.247  -7.555   3.537
  630   3HE   MET  82          3HE       MET  82   9.860  -6.468   3.644
  631    HA   PRO  83           HA       PRO  83   5.400  -6.982   4.437
  632   1HB   PRO  83          2HB       PRO  83   3.197  -6.928   2.940
  633   2HB   PRO  83          1HB       PRO  83   4.642  -7.790   2.396
  634   1HG   PRO  83          2HG       PRO  83   2.125  -8.869   3.576
  635   2HG   PRO  83          1HG       PRO  83   3.130  -9.539   2.281
  636   1HD   PRO  83          2HD       PRO  83   3.185 -10.340   4.954
  637   2HD   PRO  83          1HD       PRO  83   4.459 -10.651   3.761
  638    H    THR  84           H        THR  84   4.245  -5.091   4.964
  639    HA   THR  84           HA       THR  84   1.992  -5.487   6.796
  640    HB   THR  84           HB       THR  84   3.873  -3.216   6.659
  641    HG1  THR  84           1HG      THR  84   4.160  -5.627   7.883
  642   1HG2  THR  84          1HG2      THR  84   1.741  -3.869   8.695
  643   2HG2  THR  84          2HG2      THR  84   1.705  -2.546   7.530
  644   3HG2  THR  84          3HG2      THR  84   2.879  -2.531   8.847
  645    H    PHE  85           H        PHE  85   0.064  -4.667   6.049
  646    HA   PHE  85           HA       PHE  85   0.216  -2.935   3.731
  647   1HB   PHE  85          2HB       PHE  85  -2.188  -4.420   4.852
  648   2HB   PHE  85          1HB       PHE  85  -1.975  -3.646   3.307
  649    HD1  PHE  85           1HD      PHE  85  -1.311  -6.621   5.255
  650    HD2  PHE  85           2HD      PHE  85  -0.640  -4.676   1.532
  651    HE1  PHE  85           1HE      PHE  85  -0.567  -8.741   4.296
  652    HE2  PHE  85           2HE      PHE  85   0.108  -6.810   0.559
  653    HZ   PHE  85           HZ       PHE  85   0.148  -8.849   1.956
  654    H    MET  86           H        MET  86  -0.127  -0.884   4.197
  655    HA   MET  86           HA       MET  86  -1.593  -0.231   6.654
  656   1HB   MET  86          2HB       MET  86   0.695   0.456   6.707
  657   2HB   MET  86          1HB       MET  86   0.532   1.219   5.132
  658   1HG   MET  86          2HG       MET  86  -0.905   2.896   6.091
  659   2HG   MET  86          1HG       MET  86  -0.812   2.203   7.689
  660   1HE   MET  86          1HE       MET  86   1.362   5.355   8.117
  661   2HE   MET  86          2HE       MET  86   0.028   4.391   8.755
  662   3HE   MET  86          3HE       MET  86  -0.119   5.177   7.180
  663    H    PHE  87           H        PHE  87  -3.514   0.610   6.365
  664    HA   PHE  87           HA       PHE  87  -4.244   1.580   3.758
  665   1HB   PHE  87          2HB       PHE  87  -5.714   0.411   6.075
  666   2HB   PHE  87          1HB       PHE  87  -6.523   1.172   4.731
  667    HD1  PHE  87           1HD      PHE  87  -6.696   0.031   2.602
  668    HD2  PHE  87           2HD      PHE  87  -4.483  -1.694   5.801
  669    HE1  PHE  87           1HE      PHE  87  -6.626  -2.107   1.393
  670    HE2  PHE  87           2HE      PHE  87  -4.412  -3.839   4.595
  671    HZ   PHE  87           HZ       PHE  87  -5.482  -4.048   2.390
  672    H    LEU  88           H        LEU  88  -4.358   3.717   3.602
  673    HA   LEU  88           HA       LEU  88  -5.192   5.129   5.982
  674   1HB   LEU  88          2HB       LEU  88  -3.563   6.295   3.695
  675   2HB   LEU  88          1HB       LEU  88  -4.034   7.140   5.138
  676    HG   LEU  88           HG       LEU  88  -2.493   5.490   6.386
  677   1HD1  LEU  88          1HD1      LEU  88  -1.526   5.047   3.580
  678   2HD1  LEU  88          2HD1      LEU  88  -2.222   3.830   4.654
  679   3HD1  LEU  88          3HD1      LEU  88  -0.670   4.587   5.045
  680   1HD2  LEU  88          1HD2      LEU  88  -1.970   7.842   6.050
  681   2HD2  LEU  88          2HD2      LEU  88  -1.348   7.488   4.439
  682   3HD2  LEU  88          3HD2      LEU  88  -0.518   6.856   5.861
  683    H    LYS  89           H        LYS  89  -6.420   7.182   5.283
  684    HA   LYS  89           HA       LYS  89  -7.582   6.946   2.618
  685   1HB   LYS  89          2HB       LYS  89  -9.192   6.008   4.179
  686   2HB   LYS  89          1HB       LYS  89  -9.102   7.476   5.146
  687   1HG   LYS  89          2HG       LYS  89 -10.077   8.755   3.361
  688   2HG   LYS  89          1HG       LYS  89 -10.110   7.336   2.307
  689   1HD   LYS  89          2HD       LYS  89 -11.605   6.233   3.914
  690   2HD   LYS  89          1HD       LYS  89 -11.590   7.691   4.905
  691   1HE   LYS  89          2HE       LYS  89 -12.595   8.952   3.085
  692   2HE   LYS  89          1HE       LYS  89 -12.547   7.524   2.055
  693   1HZ   LYS  89          1HZ       LYS  89 -14.033   6.413   3.575
  694   2HZ   LYS  89          2HZ       LYS  89 -14.739   7.842   3.009
  695   3HZ   LYS  89          3HZ       LYS  89 -14.096   7.775   4.572
  696    H    GLU  90           H        GLU  90  -7.143   8.676   1.563
  697    HA   GLU  90           HA       GLU  90  -6.883  10.692   0.928
  698   1HB   GLU  90          2HB       GLU  90  -8.475  11.371   3.366
  699   2HB   GLU  90          1HB       GLU  90  -8.185  12.512   2.054
  700   1HG   GLU  90          2HG       GLU  90  -9.369  11.054   0.513
  701   2HG   GLU  90          1HG       GLU  90  -9.643   9.876   1.785
  702    H    GLY  91           H        GLY  91  -4.943   9.522   2.709
  703   1HA   GLY  91          2HA       GLY  91  -2.799  10.293   3.337
  704   2HA   GLY  91          1HA       GLY  91  -3.472  11.900   3.544
  705    H    LYS  92           H        LYS  92  -5.676  10.166   5.144
  706    HA   LYS  92           HA       LYS  92  -4.232  10.450   7.669
  707   1HB   LYS  92          2HB       LYS  92  -6.396  11.579   7.551
  708   2HB   LYS  92          1HB       LYS  92  -7.183  10.065   7.119
  709   1HG   LYS  92          2HG       LYS  92  -6.561   9.120   9.292
  710   2HG   LYS  92          1HG       LYS  92  -5.790  10.639   9.723
  711   1HD   LYS  92          2HD       LYS  92  -7.941  11.785   9.556
  712   2HD   LYS  92          1HD       LYS  92  -8.716  10.262   9.099
  713   1HE   LYS  92          2HE       LYS  92  -7.285  10.790  11.703
  714   2HE   LYS  92          1HE       LYS  92  -9.033  10.778  11.484
  715   1HZ   LYS  92          1HZ       LYS  92  -8.893   8.448  10.867
  716   2HZ   LYS  92          2HZ       LYS  92  -8.247   8.700  12.392
  717   3HZ   LYS  92          3HZ       LYS  92  -7.217   8.429  11.102
  718    H    ILE  93           H        ILE  93  -3.676   8.738   8.871
  719    HA   ILE  93           HA       ILE  93  -3.734   6.101   7.832
  720    HB   ILE  93           HB       ILE  93  -3.235   7.022  10.681
  721   1HG1  ILE  93          2HG1      ILE  93  -1.243   6.347   8.537
  722   2HG1  ILE  93          1HG1      ILE  93  -1.700   7.991   8.901
  723   1HG2  ILE  93          1HG2      ILE  93  -3.741   4.637  10.590
  724   2HG2  ILE  93          2HG2      ILE  93  -2.034   4.884  10.953
  725   3HG2  ILE  93          3HG2      ILE  93  -2.527   4.408   9.330
  726   1HD1  ILE  93          1HD1      ILE  93   0.388   7.450   9.969
  727   2HD1  ILE  93          2HD1      ILE  93  -0.330   6.034  10.738
  728   3HD1  ILE  93          3HD1      ILE  93  -0.846   7.653  11.211
  729    H    LEU  94           H        LEU  94  -5.346   4.573   7.937
  730    HA   LEU  94           HA       LEU  94  -7.409   5.046   9.899
  731   1HB   LEU  94          2HB       LEU  94  -7.445   3.525   7.335
  732   2HB   LEU  94          1HB       LEU  94  -8.735   3.440   8.502
  733    HG   LEU  94           HG       LEU  94  -7.892   5.794   6.820
  734   1HD1  LEU  94          1HD1      LEU  94  -9.310   4.208   5.713
  735   2HD1  LEU  94          2HD1      LEU  94 -10.233   5.672   6.071
  736   3HD1  LEU  94          3HD1      LEU  94 -10.443   4.231   7.058
  737   1HD2  LEU  94          1HD2      LEU  94  -9.664   7.086   7.939
  738   2HD2  LEU  94          2HD2      LEU  94  -8.366   6.658   9.043
  739   3HD2  LEU  94          3HD2      LEU  94  -9.890   5.765   9.089
  740    H    ASP  95           H        ASP  95  -5.847   2.238   8.258
  741    HA   ASP  95           HA       ASP  95  -5.375   1.044  10.788
  742   1HB   ASP  95          2HB       ASP  95  -6.560  -0.953  10.364
  743   2HB   ASP  95          1HB       ASP  95  -7.706   0.334  10.663
  744    H    LYS  96           H        LYS  96  -4.369  -0.992  10.670
  745    HA   LYS  96           HA       LYS  96  -2.876  -1.380   8.151
  746   1HB   LYS  96          2HB       LYS  96  -1.756  -1.464  10.947
  747   2HB   LYS  96          1HB       LYS  96  -0.877  -1.828   9.480
  748   1HG   LYS  96          2HG       LYS  96  -1.060   0.429   8.715
  749   2HG   LYS  96          1HG       LYS  96  -2.117   0.849  10.059
  750   1HD   LYS  96          2HD       LYS  96   0.713  -0.135  10.448
  751   2HD   LYS  96          1HD       LYS  96   0.323   1.566  10.237
  752   1HE   LYS  96          2HE       LYS  96   0.569   1.063  12.610
  753   2HE   LYS  96          1HE       LYS  96  -1.096   1.472  12.266
  754   1HZ   LYS  96          1HZ       LYS  96  -1.668  -0.880  12.451
  755   2HZ   LYS  96          2HZ       LYS  96  -0.823  -0.373  13.802
  756   3HZ   LYS  96          3HZ       LYS  96  -0.033  -1.278  12.641
  757    H    VAL  97           H        VAL  97  -2.268  -3.453   7.674
  758    HA   VAL  97           HA       VAL  97  -3.234  -5.648   9.395
  759    HB   VAL  97           HB       VAL  97  -2.906  -5.656   6.367
  760   1HG1  VAL  97          1HG1      VAL  97  -4.059  -7.752   8.203
  761   2HG1  VAL  97          2HG1      VAL  97  -2.516  -7.847   7.360
  762   3HG1  VAL  97          3HG1      VAL  97  -4.023  -7.836   6.443
  763   1HG2  VAL  97          1HG2      VAL  97  -5.348  -5.783   6.255
  764   2HG2  VAL  97          2HG2      VAL  97  -4.801  -4.284   7.016
  765   3HG2  VAL  97          3HG2      VAL  97  -5.430  -5.601   8.007
  766    H    VAL  98           H        VAL  98  -1.600  -6.899  10.125
  767    HA   VAL  98           HA       VAL  98   1.015  -6.434   8.945
  768    HB   VAL  98           HB       VAL  98   0.850  -5.760  11.260
  769   1HG1  VAL  98          1HG1      VAL  98   0.458  -7.379  13.064
  770   2HG1  VAL  98          2HG1      VAL  98   0.027  -8.587  11.852
  771   3HG1  VAL  98          3HG1      VAL  98  -0.947  -7.128  12.033
  772   1HG2  VAL  98          1HG2      VAL  98   2.987  -6.641  10.540
  773   2HG2  VAL  98          2HG2      VAL  98   2.466  -8.275  10.950
  774   3HG2  VAL  98          3HG2      VAL  98   2.692  -7.078  12.225
  775    H    GLY  99           H        GLY  99   2.002  -7.995   7.873
  776   1HA   GLY  99          2HA       GLY  99   2.759 -10.139   7.476
  777   2HA   GLY  99          1HA       GLY  99   1.512 -10.763   8.557
  778    H    ALA 100           H        ALA 100   2.020 -11.808   5.983
  779    HA   ALA 100           HA       ALA 100  -0.008 -10.716   4.260
  780   1HB   ALA 100          1HB       ALA 100   1.539 -13.302   4.038
  781   2HB   ALA 100          2HB       ALA 100   1.968 -11.768   3.280
  782   3HB   ALA 100          3HB       ALA 100   0.501 -12.614   2.789
  783    H    LYS 101           H        LYS 101  -2.016 -10.934   4.851
  784    HA   LYS 101           HA       LYS 101  -2.903 -13.487   5.939
  785   1HB   LYS 101          2HB       LYS 101  -4.027 -10.719   6.354
  786   2HB   LYS 101          1HB       LYS 101  -4.581 -12.212   7.098
  787   1HG   LYS 101          2HG       LYS 101  -1.856 -10.965   7.594
  788   2HG   LYS 101          1HG       LYS 101  -3.282 -10.901   8.632
  789   1HD   LYS 101          2HD       LYS 101  -3.204 -13.113   9.034
  790   2HD   LYS 101          1HD       LYS 101  -2.003 -13.386   7.756
  791   1HE   LYS 101          2HE       LYS 101  -0.980 -13.438  10.027
  792   2HE   LYS 101          1HE       LYS 101  -0.342 -12.144   9.024
  793   1HZ   LYS 101          1HZ       LYS 101  -0.807 -11.427  11.289
  794   2HZ   LYS 101          2HZ       LYS 101  -2.429 -11.779  11.136
  795   3HZ   LYS 101          3HZ       LYS 101  -1.723 -10.564  10.197
  796    H    LYS 102           H        LYS 102  -3.956 -14.480   4.220
  797    HA   LYS 102           HA       LYS 102  -4.730 -12.999   1.970
  798   1HB   LYS 102          2HB       LYS 102  -3.923 -15.288   1.840
  799   2HB   LYS 102          1HB       LYS 102  -5.311 -15.814   2.781
  800   1HG   LYS 102          2HG       LYS 102  -6.803 -15.150   1.007
  801   2HG   LYS 102          1HG       LYS 102  -5.416 -14.549   0.082
  802   1HD   LYS 102          2HD       LYS 102  -6.110 -16.777  -0.720
  803   2HD   LYS 102          1HD       LYS 102  -4.494 -16.824  -0.017
  804   1HE   LYS 102          2HE       LYS 102  -5.498 -17.650   2.108
  805   2HE   LYS 102          1HE       LYS 102  -7.067 -17.697   1.308
  806   1HZ   LYS 102          1HZ       LYS 102  -6.192 -19.335  -0.231
  807   2HZ   LYS 102          2HZ       LYS 102  -5.937 -19.858   1.353
  808   3HZ   LYS 102          3HZ       LYS 102  -4.666 -19.217   0.471
  809    H    ASP 103           H        ASP 103  -6.564 -14.653   4.502
  810    HA   ASP 103           HA       ASP 103  -9.057 -13.957   3.315
  811   1HB   ASP 103          2HB       ASP 103  -8.420 -15.062   6.052
  812   2HB   ASP 103          1HB       ASP 103 -10.049 -14.834   5.432
  813    H    GLU 104           H        GLU 104  -7.191 -12.732   5.991
  814    HA   GLU 104           HA       GLU 104  -9.136 -10.888   6.849
  815   1HB   GLU 104          2HB       GLU 104  -7.462 -11.659   8.408
  816   2HB   GLU 104          1HB       GLU 104  -6.177 -10.984   7.421
  817   1HG   GLU 104          2HG       GLU 104  -6.823  -8.770   7.932
  818   2HG   GLU 104          1HG       GLU 104  -8.323  -9.309   8.677
  819    H    LEU 105           H        LEU 105  -6.686 -10.676   4.379
  820    HA   LEU 105           HA       LEU 105  -6.477  -7.903   4.185
  821   1HB   LEU 105          2HB       LEU 105  -5.148  -9.633   2.927
  822   2HB   LEU 105          1HB       LEU 105  -6.529  -9.845   1.915
  823    HG   LEU 105           HG       LEU 105  -6.446  -7.553   1.125
  824   1HD1  LEU 105          1HD1      LEU 105  -3.952  -7.313   2.815
  825   2HD1  LEU 105          2HD1      LEU 105  -5.475  -6.451   3.064
  826   3HD1  LEU 105          3HD1      LEU 105  -4.501  -6.122   1.636
  827   1HD2  LEU 105          1HD2      LEU 105  -4.408  -7.711  -0.211
  828   2HD2  LEU 105          2HD2      LEU 105  -5.225  -9.273  -0.103
  829   3HD2  LEU 105          3HD2      LEU 105  -3.796  -8.950   0.881
  830    H    GLN 106           H        GLN 106  -8.557 -10.095   2.420
  831    HA   GLN 106           HA       GLN 106 -10.140  -8.126   1.172
  832   1HB   GLN 106          2HB       GLN 106 -10.995 -10.933   1.894
  833   2HB   GLN 106          1HB       GLN 106 -12.004  -9.837   0.973
  834   1HG   GLN 106          2HG       GLN 106 -10.960 -11.316  -0.564
  835   2HG   GLN 106          1HG       GLN 106 -10.179  -9.751  -0.746
  836   1HE2  GLN 106          1HE2      GLN 106  -9.849 -13.012   0.307
  837   2HE2  GLN 106          2HE2      GLN 106  -8.127 -12.947   0.522
  838    H    SER 107           H        SER 107 -10.476  -9.502   4.365
  839    HA   SER 107           HA       SER 107 -12.994  -8.348   4.927
  840   1HB   SER 107          2HB       SER 107 -10.765  -9.060   6.859
  841   2HB   SER 107          1HB       SER 107 -12.463  -8.827   7.273
  842    HG   SER 107           HG       SER 107 -11.784 -11.042   6.999
  843    H    THR 108           H        THR 108  -9.709  -7.158   5.184
  844    HA   THR 108           HA       THR 108 -10.437  -4.731   6.495
  845    HB   THR 108           HB       THR 108  -7.926  -5.437   4.954
  846    HG1  THR 108           1HG      THR 108  -8.229  -6.817   6.735
  847   1HG2  THR 108          1HG2      THR 108  -8.195  -2.990   5.278
  848   2HG2  THR 108          2HG2      THR 108  -6.880  -3.602   6.272
  849   3HG2  THR 108          3HG2      THR 108  -8.416  -3.221   7.007
  850    H    ILE 109           H        ILE 109 -10.055  -5.805   3.197
  851    HA   ILE 109           HA       ILE 109 -10.237  -3.256   1.999
  852    HB   ILE 109           HB       ILE 109 -11.013  -5.966   0.858
  853   1HG1  ILE 109          2HG1      ILE 109  -8.467  -4.359   0.551
  854   2HG1  ILE 109          1HG1      ILE 109  -8.651  -5.766   1.589
  855   1HG2  ILE 109          1HG2      ILE 109 -12.046  -4.125  -0.387
  856   2HG2  ILE 109          2HG2      ILE 109 -10.765  -4.886  -1.336
  857   3HG2  ILE 109          3HG2      ILE 109 -10.472  -3.341  -0.542
  858   1HD1  ILE 109          1HD1      ILE 109  -8.921  -5.735  -1.404
  859   2HD1  ILE 109          2HD1      ILE 109  -9.062  -7.156  -0.370
  860   3HD1  ILE 109          3HD1      ILE 109  -7.522  -6.298  -0.492
  861    H    ALA 110           H        ALA 110 -12.709  -5.735   2.742
  862    HA   ALA 110           HA       ALA 110 -14.914  -4.261   1.792
  863   1HB   ALA 110          1HB       ALA 110 -16.266  -5.841   3.099
  864   2HB   ALA 110          2HB       ALA 110 -14.821  -6.371   3.955
  865   3HB   ALA 110          3HB       ALA 110 -14.986  -6.683   2.229
  866    H    LYS 111           H        LYS 111 -13.214  -4.271   4.766
  867    HA   LYS 111           HA       LYS 111 -14.822  -2.866   6.558
  868   1HB   LYS 111          2HB       LYS 111 -12.576  -3.993   6.783
  869   2HB   LYS 111          1HB       LYS 111 -11.975  -2.556   6.048
  870   1HG   LYS 111          2HG       LYS 111 -12.678  -1.161   7.888
  871   2HG   LYS 111          1HG       LYS 111 -13.371  -2.572   8.707
  872   1HD   LYS 111          2HD       LYS 111 -11.172  -3.632   8.763
  873   2HD   LYS 111          1HD       LYS 111 -10.478  -2.240   7.940
  874   1HE   LYS 111          2HE       LYS 111 -11.117  -0.833   9.839
  875   2HE   LYS 111          1HE       LYS 111 -11.766  -2.256  10.652
  876   1HZ   LYS 111          1HZ       LYS 111  -8.945  -1.923   9.800
  877   2HZ   LYS 111          2HZ       LYS 111  -9.563  -3.245  10.605
  878   3HZ   LYS 111          3HZ       LYS 111  -9.496  -1.749  11.390
  879    H    HIS 112           H        HIS 112 -12.809  -1.832   3.926
  880    HA   HIS 112           HA       HIS 112 -13.221   0.996   4.442
  881   1HB   HIS 112          2HB       HIS 112 -11.496  -0.534   2.542
  882   2HB   HIS 112          1HB       HIS 112 -11.743   1.188   2.373
  883    HD1  HIS 112           1HD      HIS 112 -10.213   2.637   3.724
  884    HD2  HIS 112           2HD      HIS 112 -10.186  -1.278   5.058
  885    HE1  HIS 112           1HE      HIS 112  -8.306   2.487   5.350
  886    HE2  HIS 112           2HE      HIS 112  -8.593   0.272   6.403
  887    H    LEU 113           H        LEU 113 -14.046  -1.444   1.875
  888    HA   LEU 113           HA       LEU 113 -15.077   0.544   0.215
  889   1HB   LEU 113          2HB       LEU 113 -14.580  -2.317   0.206
  890   2HB   LEU 113          1HB       LEU 113 -15.750  -1.719  -0.928
  891    HG   LEU 113           HG       LEU 113 -13.574  -1.966  -1.974
  892   1HD1  LEU 113          1HD1      LEU 113 -14.938  -0.132  -2.766
  893   2HD1  LEU 113          2HD1      LEU 113 -13.229   0.287  -2.856
  894   3HD1  LEU 113          3HD1      LEU 113 -14.229   0.951  -1.569
  895   1HD2  LEU 113          1HD2      LEU 113 -12.133  -1.749  -0.018
  896   2HD2  LEU 113          2HD2      LEU 113 -12.540  -0.040   0.109
  897   3HD2  LEU 113          3HD2      LEU 113 -11.623  -0.623  -1.279
  898    H    ALA 114           H        ALA 114 -17.138   0.782  -0.461
  899    HA   ALA 114           HA       ALA 114 -19.281  -0.719   0.761
  900   1HB   ALA 114          1HB       ALA 114 -19.001   1.167   2.305
  901   2HB   ALA 114          2HB       ALA 114 -20.485   1.371   1.374
  902   3HB   ALA 114          3HB       ALA 114 -19.045   2.296   0.954
  Start of MODEL   15
    1    H    MET   1           H        MET   1 -14.214   4.038 -17.651
    2    HA   MET   1           HA       MET   1 -12.529   2.734 -15.822
    3   1HB   MET   1          2HB       MET   1 -10.545   2.497 -17.267
    4   2HB   MET   1          1HB       MET   1 -11.818   1.433 -17.812
    5   1HG   MET   1          2HG       MET   1 -11.242   4.110 -19.069
    6   2HG   MET   1          1HG       MET   1 -10.476   2.615 -19.594
    7   1HE   MET   1          1HE       MET   1 -12.833   0.497 -19.328
    8   2HE   MET   1          2HE       MET   1 -11.719   0.634 -20.681
    9   3HE   MET   1          3HE       MET   1 -13.445   0.539 -20.985
   10    H    ALA   2           H        ALA   2 -11.001   4.158 -15.036
   11    HA   ALA   2           HA       ALA   2 -10.987   6.832 -16.204
   12   1HB   ALA   2          1HB       ALA   2 -12.648   6.868 -14.403
   13   2HB   ALA   2          2HB       ALA   2 -11.224   7.804 -13.945
   14   3HB   ALA   2          3HB       ALA   2 -11.467   6.186 -13.288
   15    H    SER   3           H        SER   3  -9.010   7.869 -15.962
   16    HA   SER   3           HA       SER   3  -6.777   8.096 -15.653
   17   1HB   SER   3          2HB       SER   3  -7.242   6.228 -13.300
   18   2HB   SER   3          1HB       SER   3  -5.822   7.246 -13.538
   19    HG   SER   3           HG       SER   3  -7.216   8.265 -12.154
   20    H    GLU   4           H        GLU   4  -4.791   6.264 -14.933
   21    HA   GLU   4           HA       GLU   4  -5.181   4.164 -16.929
   22   1HB   GLU   4          2HB       GLU   4  -3.263   5.706 -17.345
   23   2HB   GLU   4          1HB       GLU   4  -2.579   5.264 -15.794
   24   1HG   GLU   4          2HG       GLU   4  -1.472   4.101 -17.613
   25   2HG   GLU   4          1HG       GLU   4  -2.316   2.966 -16.564
   26    H    GLU   5           H        GLU   5  -2.838   4.325 -14.310
   27    HA   GLU   5           HA       GLU   5  -2.445   3.039 -12.498
   28   1HB   GLU   5          2HB       GLU   5  -5.357   3.665 -12.379
   29   2HB   GLU   5          1HB       GLU   5  -4.619   2.692 -11.117
   30   1HG   GLU   5          2HG       GLU   5  -4.777   5.163 -10.625
   31   2HG   GLU   5          1HG       GLU   5  -3.178   4.461 -10.450
   32    H    GLY   6           H        GLY   6  -3.847   1.116 -11.189
   33   1HA   GLY   6          2HA       GLY   6  -4.354  -1.175 -11.396
   34   2HA   GLY   6          1HA       GLY   6  -4.026  -1.069 -13.129
   35    H    GLN   7           H        GLN   7  -1.778   0.448 -11.217
   36    HA   GLN   7           HA       GLN   7  -0.107  -1.882 -11.023
   37   1HB   GLN   7          2HB       GLN   7   1.852  -0.462 -11.740
   38   2HB   GLN   7          1HB       GLN   7   0.774  -0.976 -13.015
   39   1HG   GLN   7          2HG       GLN   7   1.402   1.288 -13.465
   40   2HG   GLN   7          1HG       GLN   7  -0.258   1.342 -12.892
   41   1HE2  GLN   7          1HE2      GLN   7  -0.077   3.474 -12.300
   42   2HE2  GLN   7          2HE2      GLN   7   0.824   4.005 -10.933
   43    H    VAL   8           H        VAL   8   1.755  -1.429  -9.652
   44    HA   VAL   8           HA       VAL   8   0.849   0.290  -7.453
   45    HB   VAL   8           HB       VAL   8   2.486  -2.245  -7.225
   46   1HG1  VAL   8          1HG1      VAL   8   2.837  -0.736  -5.398
   47   2HG1  VAL   8          2HG1      VAL   8   1.817  -2.087  -4.844
   48   3HG1  VAL   8          3HG1      VAL   8   1.103  -0.527  -5.199
   49   1HG2  VAL   8          1HG2      VAL   8  -0.468  -1.894  -6.712
   50   2HG2  VAL   8          2HG2      VAL   8   0.471  -3.354  -6.378
   51   3HG2  VAL   8          3HG2      VAL   8   0.256  -2.803  -8.038
   52    H    ILE   9           H        ILE   9   2.325   1.811  -6.794
   53    HA   ILE   9           HA       ILE   9   4.680   2.030  -8.430
   54    HB   ILE   9           HB       ILE   9   3.681   3.895  -6.257
   55   1HG1  ILE   9          2HG1      ILE   9   3.274   5.428  -8.272
   56   2HG1  ILE   9          1HG1      ILE   9   3.480   4.008  -9.267
   57   1HG2  ILE   9          1HG2      ILE   9   5.935   4.297  -8.214
   58   2HG2  ILE   9          2HG2      ILE   9   6.081   4.102  -6.470
   59   3HG2  ILE   9          3HG2      ILE   9   5.291   5.533  -7.132
   60   1HD1  ILE   9          1HD1      ILE   9   1.341   4.379  -7.174
   61   2HD1  ILE   9          2HD1      ILE   9   1.559   2.950  -8.185
   62   3HD1  ILE   9          3HD1      ILE   9   1.127   4.491  -8.921
   63    H    ALA  10           H        ALA  10   6.488   1.008  -7.904
   64    HA   ALA  10           HA       ALA  10   7.035   0.313  -5.140
   65   1HB   ALA  10          1HB       ALA  10   7.423  -1.382  -6.880
   66   2HB   ALA  10          2HB       ALA  10   8.932  -0.956  -6.069
   67   3HB   ALA  10          3HB       ALA  10   8.579  -0.310  -7.667
   68    H    CYS  11           H        CYS  11   7.934   1.837  -3.917
   69    HA   CYS  11           HA       CYS  11   9.515   3.891  -5.174
   70   1HB   CYS  11          2HB       CYS  11   8.690   3.640  -2.299
   71   2HB   CYS  11          1HB       CYS  11   9.270   5.028  -3.162
   72    HG   CYS  11           HG       CYS  11   6.370   3.578  -4.174
   73    H    HIS  12           H        HIS  12  11.631   3.939  -5.010
   74    HA   HIS  12           HA       HIS  12  12.979   2.135  -3.118
   75   1HB   HIS  12          2HB       HIS  12  13.941   3.289  -5.744
   76   2HB   HIS  12          1HB       HIS  12  14.945   2.367  -4.634
   77    HD1  HIS  12           1HD      HIS  12  15.050  -0.049  -5.080
   78    HD2  HIS  12           2HD      HIS  12  11.682   1.681  -6.782
   79    HE1  HIS  12           1HE      HIS  12  13.929  -1.884  -6.411
   80    HE2  HIS  12           2HE      HIS  12  12.099  -0.729  -7.639
   81    H    THR  13           H        THR  13  12.010   5.234  -3.435
   82    HA   THR  13           HA       THR  13  14.327   6.250  -1.998
   83    HB   THR  13           HB       THR  13  14.169   8.366  -3.275
   84    HG1  THR  13           1HG      THR  13  13.045   8.047  -5.404
   85   1HG2  THR  13          1HG2      THR  13  15.226   7.595  -5.360
   86   2HG2  THR  13          2HG2      THR  13  14.676   5.952  -5.028
   87   3HG2  THR  13          3HG2      THR  13  15.856   6.725  -3.961
   88    H    VAL  14           H        VAL  14  13.774   7.988  -0.630
   89    HA   VAL  14           HA       VAL  14  11.060   7.990   0.151
   90    HB   VAL  14           HB       VAL  14  12.904   8.265   1.826
   91   1HG1  VAL  14          1HG1      VAL  14  14.421   9.682   0.628
   92   2HG1  VAL  14          2HG1      VAL  14  13.982  10.423   2.167
   93   3HG1  VAL  14          3HG1      VAL  14  13.247  10.996   0.668
   94   1HG2  VAL  14          1HG2      VAL  14  11.851  10.025   3.196
   95   2HG2  VAL  14          2HG2      VAL  14  10.692   8.908   2.489
   96   3HG2  VAL  14          3HG2      VAL  14  10.897  10.516   1.793
   97    H    GLU  15           H        GLU  15  13.028   9.828  -2.106
   98    HA   GLU  15           HA       GLU  15  11.675  12.124  -2.394
   99   1HB   GLU  15          2HB       GLU  15  12.877  10.323  -4.503
  100   2HB   GLU  15          1HB       GLU  15  12.435  12.003  -4.682
  101   1HG   GLU  15          2HG       GLU  15  14.788  11.970  -4.465
  102   2HG   GLU  15          1HG       GLU  15  14.170  12.529  -2.921
  103    H    THR  16           H        THR  16  11.067   8.950  -4.007
  104    HA   THR  16           HA       THR  16   8.770   9.813  -5.412
  105    HB   THR  16           HB       THR  16   9.537   6.984  -4.586
  106    HG1  THR  16           1HG      THR  16  10.595   8.741  -6.382
  107   1HG2  THR  16          1HG2      THR  16   7.213   7.169  -5.385
  108   2HG2  THR  16          2HG2      THR  16   8.218   6.299  -6.546
  109   3HG2  THR  16          3HG2      THR  16   7.782   7.980  -6.841
  110    H    TRP  17           H        TRP  17   9.266   8.162  -2.358
  111    HA   TRP  17           HA       TRP  17   6.675   7.622  -1.558
  112   1HB   TRP  17          2HB       TRP  17   8.641   6.771  -0.411
  113   2HB   TRP  17          1HB       TRP  17   9.112   8.406   0.024
  114    HD1  TRP  17           HD       TRP  17   8.626   8.982   2.437
  115    HE1  TRP  17           1HE      TRP  17   6.982   8.180   4.237
  116    HE3  TRP  17           3HE      TRP  17   5.921   5.678  -0.356
  117    HZ2  TRP  17           2HZ      TRP  17   4.822   6.400   4.449
  118    HZ3  TRP  17           3HZ      TRP  17   4.078   4.478   0.719
  119    HH2  TRP  17           HH       TRP  17   3.539   4.834   3.082
  120    H    ASN  18           H        ASN  18   8.595  10.541  -0.929
  121    HA   ASN  18           HA       ASN  18   6.709  12.016   0.538
  122   1HB   ASN  18          2HB       ASN  18   9.146  12.542   0.341
  123   2HB   ASN  18          1HB       ASN  18   8.873  13.045  -1.314
  124   1HD2  ASN  18          1HD2      ASN  18   9.946  14.477   0.940
  125   2HD2  ASN  18          2HD2      ASN  18   8.989  15.894   1.162
  126    H    GLU  19           H        GLU  19   7.432  11.985  -2.928
  127    HA   GLU  19           HA       GLU  19   5.660  13.962  -3.757
  128   1HB   GLU  19          2HB       GLU  19   7.406  13.101  -5.188
  129   2HB   GLU  19          1HB       GLU  19   6.643  11.521  -5.231
  130   1HG   GLU  19          2HG       GLU  19   4.744  12.452  -6.428
  131   2HG   GLU  19          1HG       GLU  19   5.467  14.057  -6.345
  132    H    GLN  20           H        GLN  20   5.111  10.405  -3.512
  133    HA   GLN  20           HA       GLN  20   2.561  10.507  -4.534
  134   1HB   GLN  20          2HB       GLN  20   4.086   8.615  -2.915
  135   2HB   GLN  20          1HB       GLN  20   2.466   8.248  -3.471
  136   1HG   GLN  20          2HG       GLN  20   4.884   8.835  -5.207
  137   2HG   GLN  20          1HG       GLN  20   4.210   7.237  -4.931
  138   1HE2  GLN  20          1HE2      GLN  20   3.860   6.910  -7.110
  139   2HE2  GLN  20          2HE2      GLN  20   2.612   7.710  -7.998
  140    H    LEU  21           H        LEU  21   3.794  10.663  -1.134
  141    HA   LEU  21           HA       LEU  21   1.307  10.505   0.043
  142   1HB   LEU  21          2HB       LEU  21   3.883  11.709   0.747
  143   2HB   LEU  21          1HB       LEU  21   2.536  11.697   1.846
  144    HG   LEU  21           HG       LEU  21   4.103   9.328   0.806
  145   1HD1  LEU  21          1HD1      LEU  21   4.714   9.029   3.153
  146   2HD1  LEU  21          2HD1      LEU  21   3.807  10.484   3.570
  147   3HD1  LEU  21          3HD1      LEU  21   5.230  10.597   2.534
  148   1HD2  LEU  21          1HD2      LEU  21   1.740   8.706   1.005
  149   2HD2  LEU  21          2HD2      LEU  21   1.704   9.344   2.648
  150   3HD2  LEU  21          3HD2      LEU  21   2.699   7.937   2.272
  151    H    GLN  22           H        GLN  22   3.264  13.252  -1.007
  152    HA   GLN  22           HA       GLN  22   1.546  15.258  -0.156
  153   1HB   GLN  22          2HB       GLN  22   3.765  15.756  -1.098
  154   2HB   GLN  22          1HB       GLN  22   3.209  15.228  -2.682
  155   1HG   GLN  22          2HG       GLN  22   1.482  17.016  -2.608
  156   2HG   GLN  22          1HG       GLN  22   2.207  17.593  -1.116
  157   1HE2  GLN  22          1HE2      GLN  22   1.857  18.943  -3.660
  158   2HE2  GLN  22          2HE2      GLN  22   3.439  19.386  -4.170
  159    H    LYS  23           H        LYS  23   1.670  13.455  -3.144
  160    HA   LYS  23           HA       LYS  23  -0.403  14.707  -4.514
  161   1HB   LYS  23          2HB       LYS  23   1.323  13.218  -5.477
  162   2HB   LYS  23          1HB       LYS  23   0.555  11.861  -4.687
  163   1HG   LYS  23          2HG       LYS  23  -1.386  12.083  -6.088
  164   2HG   LYS  23          1HG       LYS  23  -0.732  13.573  -6.788
  165   1HD   LYS  23          2HD       LYS  23   1.193  12.357  -7.623
  166   2HD   LYS  23          1HD       LYS  23   0.557  10.862  -6.944
  167   1HE   LYS  23          2HE       LYS  23  -1.345  10.979  -8.429
  168   2HE   LYS  23          1HE       LYS  23  -0.787  12.537  -9.052
  169   1HZ   LYS  23          1HZ       LYS  23  -0.159  10.696 -10.522
  170   2HZ   LYS  23          2HZ       LYS  23   0.736   9.992  -9.277
  171   3HZ   LYS  23          3HZ       LYS  23   1.179  11.485  -9.888
  172    H    ALA  24           H        ALA  24  -0.436  11.932  -2.269
  173    HA   ALA  24           HA       ALA  24  -3.196  11.414  -2.629
  174   1HB   ALA  24          1HB       ALA  24  -1.380  10.702  -0.325
  175   2HB   ALA  24          2HB       ALA  24  -1.632   9.728  -1.772
  176   3HB   ALA  24          3HB       ALA  24  -2.966  10.000  -0.645
  177    H    ASN  25           H        ASN  25  -1.343  13.398  -0.417
  178    HA   ASN  25           HA       ASN  25  -3.440  14.025   1.400
  179   1HB   ASN  25          2HB       ASN  25  -0.896  14.286   1.712
  180   2HB   ASN  25          1HB       ASN  25  -1.051  15.697   0.735
  181   1HD2  ASN  25          1HD2      ASN  25  -0.305  15.390   3.588
  182   2HD2  ASN  25          2HD2      ASN  25  -1.323  16.496   4.445
  183    H    GLU  26           H        GLU  26  -1.885  15.742  -1.126
  184    HA   GLU  26           HA       GLU  26  -3.320  18.145  -1.110
  185   1HB   GLU  26          2HB       GLU  26  -1.110  17.771  -2.130
  186   2HB   GLU  26          1HB       GLU  26  -1.866  16.833  -3.394
  187   1HG   GLU  26          2HG       GLU  26  -2.993  18.790  -4.220
  188   2HG   GLU  26          1HG       GLU  26  -2.369  19.744  -2.872
  189    H    SER  27           H        SER  27  -3.860  15.193  -3.026
  190    HA   SER  27           HA       SER  27  -6.182  16.414  -4.253
  191   1HB   SER  27          2HB       SER  27  -4.640  15.022  -5.615
  192   2HB   SER  27          1HB       SER  27  -5.027  13.647  -4.584
  193    HG   SER  27           HG       SER  27  -6.383  13.356  -6.183
  194    H    LYS  28           H        LYS  28  -5.621  15.118  -1.331
  195    HA   LYS  28           HA       LYS  28  -6.730  14.075   0.297
  196   1HB   LYS  28          2HB       LYS  28  -9.027  15.188  -1.183
  197   2HB   LYS  28          1HB       LYS  28  -9.198  14.513   0.438
  198   1HG   LYS  28          2HG       LYS  28  -7.490  16.221   1.180
  199   2HG   LYS  28          1HG       LYS  28  -7.651  16.956  -0.415
  200   1HD   LYS  28          2HD       LYS  28  -9.863  16.573   1.600
  201   2HD   LYS  28          1HD       LYS  28  -9.048  18.090   1.245
  202   1HE   LYS  28          2HE       LYS  28  -9.891  18.012  -1.052
  203   2HE   LYS  28          1HE       LYS  28 -10.679  16.472  -0.711
  204   1HZ   LYS  28          1HZ       LYS  28 -12.229  18.319  -0.558
  205   2HZ   LYS  28          2HZ       LYS  28 -11.269  19.034   0.646
  206   3HZ   LYS  28          3HZ       LYS  28 -12.031  17.575   0.947
  207    H    THR  29           H        THR  29  -5.980  12.392  -1.598
  208    HA   THR  29           HA       THR  29  -8.184  10.489  -1.898
  209    HB   THR  29           HB       THR  29  -5.463  10.232  -3.023
  210    HG1  THR  29           1HG      THR  29  -7.456  12.035  -3.692
  211   1HG2  THR  29          1HG2      THR  29  -6.643   8.902  -4.765
  212   2HG2  THR  29          2HG2      THR  29  -8.159   9.204  -3.917
  213   3HG2  THR  29          3HG2      THR  29  -6.878   8.275  -3.134
  214    H    LEU  30           H        LEU  30  -7.879   8.425  -0.969
  215    HA   LEU  30           HA       LEU  30  -6.028   8.400   1.059
  216   1HB   LEU  30          2HB       LEU  30  -7.080   6.433   1.718
  217   2HB   LEU  30          1HB       LEU  30  -8.236   7.739   1.593
  218    HG   LEU  30           HG       LEU  30  -9.270   5.826   1.100
  219   1HD1  LEU  30          1HD1      LEU  30  -8.671   7.003  -1.610
  220   2HD1  LEU  30          2HD1      LEU  30  -9.956   7.474  -0.498
  221   3HD1  LEU  30          3HD1      LEU  30 -10.004   5.897  -1.285
  222   1HD2  LEU  30          1HD2      LEU  30  -7.569   4.226   0.827
  223   2HD2  LEU  30          2HD2      LEU  30  -7.053   4.933  -0.700
  224   3HD2  LEU  30          3HD2      LEU  30  -8.601   4.093  -0.602
  225    H    VAL  31           H        VAL  31  -4.533   6.773   1.282
  226    HA   VAL  31           HA       VAL  31  -3.736   5.515  -1.232
  227    HB   VAL  31           HB       VAL  31  -2.373   7.506  -0.909
  228   1HG1  VAL  31          1HG1      VAL  31  -0.707   7.654   0.912
  229   2HG1  VAL  31          2HG1      VAL  31  -1.542   6.316   1.721
  230   3HG1  VAL  31          3HG1      VAL  31  -2.385   7.838   1.394
  231   1HG2  VAL  31          1HG2      VAL  31  -0.780   4.988  -0.489
  232   2HG2  VAL  31          2HG2      VAL  31  -0.129   6.513  -1.087
  233   3HG2  VAL  31          3HG2      VAL  31  -1.330   5.631  -2.033
  234    H    VAL  32           H        VAL  32  -2.968   3.495  -1.144
  235    HA   VAL  32           HA       VAL  32  -2.893   2.210   1.493
  236    HB   VAL  32           HB       VAL  32  -3.460   1.004  -1.184
  237   1HG1  VAL  32          1HG1      VAL  32  -3.606  -0.225   1.583
  238   2HG1  VAL  32          2HG1      VAL  32  -2.409  -0.588   0.342
  239   3HG1  VAL  32          3HG1      VAL  32  -4.100  -1.031   0.093
  240   1HG2  VAL  32          1HG2      VAL  32  -5.369   1.600   1.073
  241   2HG2  VAL  32          2HG2      VAL  32  -5.788   0.705  -0.391
  242   3HG2  VAL  32          3HG2      VAL  32  -5.315   2.399  -0.498
  243    H    VAL  33           H        VAL  33  -0.966   1.500   2.081
  244    HA   VAL  33           HA       VAL  33   1.047   1.248  -0.041
  245    HB   VAL  33           HB       VAL  33   1.543   2.238   2.774
  246   1HG1  VAL  33          1HG1      VAL  33   3.795   2.741   1.967
  247   2HG1  VAL  33          2HG1      VAL  33   3.390   2.030   0.404
  248   3HG1  VAL  33          3HG1      VAL  33   3.436   1.019   1.847
  249   1HG2  VAL  33          1HG2      VAL  33   1.516   3.745   0.154
  250   2HG2  VAL  33          2HG2      VAL  33   1.988   4.414   1.716
  251   3HG2  VAL  33          3HG2      VAL  33   0.326   3.888   1.449
  252    H    ASP  34           H        ASP  34   2.191  -0.524  -0.121
  253    HA   ASP  34           HA       ASP  34   1.861  -2.616   1.923
  254   1HB   ASP  34          2HB       ASP  34   1.076  -3.074  -0.393
  255   2HB   ASP  34          1HB       ASP  34   2.679  -2.702  -0.991
  256    H    PHE  35           H        PHE  35   3.662  -2.556   3.265
  257    HA   PHE  35           HA       PHE  35   6.226  -1.767   2.145
  258   1HB   PHE  35          2HB       PHE  35   5.388  -2.428   4.973
  259   2HB   PHE  35          1HB       PHE  35   6.938  -1.803   4.462
  260    HD1  PHE  35           1HD      PHE  35   3.411  -0.964   5.030
  261    HD2  PHE  35           2HD      PHE  35   7.230   0.529   3.889
  262    HE1  PHE  35           1HE      PHE  35   2.601   1.336   5.352
  263    HE2  PHE  35           2HE      PHE  35   6.424   2.833   4.209
  264    HZ   PHE  35           HZ       PHE  35   4.113   3.239   4.942
  265    H    THR  36           H        THR  36   7.493  -3.380   1.403
  266    HA   THR  36           HA       THR  36   7.431  -5.994   2.636
  267    HB   THR  36           HB       THR  36   5.429  -5.904   1.146
  268    HG1  THR  36           1HG      THR  36   5.702  -7.827   0.585
  269   1HG2  THR  36          1HG2      THR  36   5.758  -5.944  -1.290
  270   2HG2  THR  36          2HG2      THR  36   7.480  -5.641  -1.058
  271   3HG2  THR  36          3HG2      THR  36   6.297  -4.418  -0.584
  272    H    ALA  37           H        ALA  37   8.778  -7.493   1.095
  273    HA   ALA  37           HA       ALA  37  10.842  -6.044  -0.364
  274   1HB   ALA  37          1HB       ALA  37  12.619  -7.420   0.619
  275   2HB   ALA  37          2HB       ALA  37  11.437  -8.209   1.655
  276   3HB   ALA  37          3HB       ALA  37  11.792  -6.493   1.874
  277    H    SER  38           H        SER  38  11.651  -7.220  -2.113
  278    HA   SER  38           HA       SER  38   9.824  -9.106  -3.159
  279   1HB   SER  38          2HB       SER  38  11.083  -7.531  -4.602
  280   2HB   SER  38          1HB       SER  38  12.575  -8.379  -4.202
  281    HG   SER  38           HG       SER  38  10.356  -9.280  -5.692
  282    H    TRP  39           H        TRP  39  12.685  -9.460  -1.259
  283    HA   TRP  39           HA       TRP  39  13.069 -12.190  -2.039
  284   1HB   TRP  39          2HB       TRP  39  14.787 -12.261  -0.155
  285   2HB   TRP  39          1HB       TRP  39  15.080 -11.100  -1.426
  286    HD1  TRP  39           HD       TRP  39  15.564  -8.748  -0.699
  287    HE1  TRP  39           1HE      TRP  39  15.552  -7.435   1.524
  288    HE3  TRP  39           3HE      TRP  39  13.267 -12.217   2.256
  289    HZ2  TRP  39           2HZ      TRP  39  14.662  -7.834   4.180
  290    HZ3  TRP  39           3HZ      TRP  39  12.870 -11.683   4.622
  291    HH2  TRP  39           HH       TRP  39  13.549  -9.537   5.564
  292    H    CYS  40           H        CYS  40  10.665 -10.955  -0.404
  293    HA   CYS  40           HA       CYS  40  10.479 -13.045   1.610
  294   1HB   CYS  40          2HB       CYS  40   9.899 -10.832   2.350
  295   2HB   CYS  40          1HB       CYS  40   8.782 -10.611   1.017
  296    H    GLY  41           H        GLY  41   9.376 -14.847   1.249
  297   1HA   GLY  41          2HA       GLY  41   8.414 -15.573  -1.298
  298   2HA   GLY  41          1HA       GLY  41   8.188 -16.491   0.175
  299    HA   PRO  42           HA       PRO  42   3.822 -15.677   0.379
  300   1HB   PRO  42          2HB       PRO  42   4.087 -14.027   2.841
  301   2HB   PRO  42          1HB       PRO  42   3.120 -15.482   2.575
  302   1HG   PRO  42          2HG       PRO  42   5.341 -15.595   4.032
  303   2HG   PRO  42          1HG       PRO  42   4.926 -16.904   2.908
  304   1HD   PRO  42          2HD       PRO  42   6.927 -14.700   2.600
  305   2HD   PRO  42          1HD       PRO  42   7.054 -16.408   2.133
  306    H    CYS  43           H        CYS  43   5.844 -12.963   1.027
  307    HA   CYS  43           HA       CYS  43   4.044 -10.845   0.573
  308   1HB   CYS  43          2HB       CYS  43   7.013 -10.997   0.193
  309   2HB   CYS  43          1HB       CYS  43   6.082  -9.515   0.337
  310    H    ARG  44           H        ARG  44   6.033 -12.794  -1.550
  311    HA   ARG  44           HA       ARG  44   5.596 -11.158  -3.863
  312   1HB   ARG  44          2HB       ARG  44   7.617 -12.531  -3.584
  313   2HB   ARG  44          1HB       ARG  44   6.628 -13.980  -3.599
  314   1HG   ARG  44          2HG       ARG  44   6.002 -13.552  -5.908
  315   2HG   ARG  44          1HG       ARG  44   6.946 -12.056  -5.895
  316   1HD   ARG  44          2HD       ARG  44   8.943 -13.316  -5.396
  317   2HD   ARG  44          1HD       ARG  44   8.024 -14.823  -5.425
  318    HE   ARG  44           HE       ARG  44   7.595 -13.630  -7.847
  319   1HH1  ARG  44          1HH1      ARG  44  10.421 -14.684  -6.023
  320   2HH1  ARG  44          2HH1      ARG  44  11.348 -15.115  -7.372
  321   1HH2  ARG  44          1HH2      ARG  44   8.890 -14.203  -9.780
  322   2HH2  ARG  44          2HH2      ARG  44  10.458 -14.837  -9.534
  323    H    PHE  45           H        PHE  45   4.112 -13.928  -2.386
  324    HA   PHE  45           HA       PHE  45   2.465 -14.641  -4.594
  325   1HB   PHE  45          2HB       PHE  45   2.994 -16.299  -2.893
  326   2HB   PHE  45          1HB       PHE  45   2.215 -15.322  -1.657
  327    HD1  PHE  45           1HD      PHE  45  -0.095 -15.501  -1.251
  328    HD2  PHE  45           2HD      PHE  45   1.578 -17.277  -4.728
  329    HE1  PHE  45           1HE      PHE  45  -2.223 -16.632  -1.687
  330    HE2  PHE  45           2HE      PHE  45  -0.558 -18.421  -5.174
  331    HZ   PHE  45           HZ       PHE  45  -2.460 -18.099  -3.654
  332    H    ILE  46           H        ILE  46   2.142 -12.346  -2.015
  333    HA   ILE  46           HA       ILE  46  -0.712 -12.042  -2.458
  334    HB   ILE  46           HB       ILE  46   0.349 -11.816  -0.168
  335   1HG1  ILE  46          2HG1      ILE  46  -0.910  -9.735   0.507
  336   2HG1  ILE  46          1HG1      ILE  46  -1.234  -9.462  -1.202
  337   1HG2  ILE  46          1HG2      ILE  46   1.473  -9.740   0.442
  338   2HG2  ILE  46          2HG2      ILE  46   1.390  -9.211  -1.236
  339   3HG2  ILE  46          3HG2      ILE  46   2.353 -10.621  -0.808
  340   1HD1  ILE  46          1HD1      ILE  46  -2.058 -11.841   0.409
  341   2HD1  ILE  46          2HD1      ILE  46  -2.418 -11.602  -1.308
  342   3HD1  ILE  46          3HD1      ILE  46  -3.114 -10.522  -0.090
  343    H    ALA  47           H        ALA  47   2.133 -10.913  -3.814
  344    HA   ALA  47           HA       ALA  47   1.623  -8.244  -4.371
  345   1HB   ALA  47          1HB       ALA  47   3.285 -10.095  -6.084
  346   2HB   ALA  47          2HB       ALA  47   3.837  -9.310  -4.612
  347   3HB   ALA  47          3HB       ALA  47   3.388  -8.335  -6.009
  348    HA   PRO  48           HA       PRO  48  -0.250  -9.501  -8.717
  349   1HB   PRO  48          2HB       PRO  48  -1.524 -12.094  -8.037
  350   2HB   PRO  48          1HB       PRO  48  -0.699 -11.610  -9.522
  351   1HG   PRO  48          2HG       PRO  48   0.466 -13.292  -7.834
  352   2HG   PRO  48          1HG       PRO  48   1.403 -12.025  -8.644
  353   1HD   PRO  48          2HD       PRO  48   0.343 -12.091  -5.845
  354   2HD   PRO  48          1HD       PRO  48   1.938 -11.574  -6.423
  355    H    PHE  49           H        PHE  49  -1.714 -10.590  -5.708
  356    HA   PHE  49           HA       PHE  49  -4.363  -9.898  -6.523
  357   1HB   PHE  49          2HB       PHE  49  -3.913 -11.633  -4.780
  358   2HB   PHE  49          1HB       PHE  49  -3.328 -10.365  -3.710
  359    HD1  PHE  49           1HD      PHE  49  -6.315 -11.675  -5.442
  360    HD2  PHE  49           2HD      PHE  49  -4.837  -9.012  -2.485
  361    HE1  PHE  49           1HE      PHE  49  -8.599 -11.300  -4.657
  362    HE2  PHE  49           2HE      PHE  49  -7.125  -8.637  -1.692
  363    HZ   PHE  49           HZ       PHE  49  -9.014  -9.781  -2.782
  364    H    PHE  50           H        PHE  50  -1.867  -8.355  -4.567
  365    HA   PHE  50           HA       PHE  50  -3.391  -6.049  -3.880
  366   1HB   PHE  50          2HB       PHE  50  -1.263  -6.829  -2.735
  367   2HB   PHE  50          1HB       PHE  50  -0.373  -6.279  -4.144
  368    HD1  PHE  50           1HD      PHE  50  -2.504  -5.184  -1.341
  369    HD2  PHE  50           2HD      PHE  50   0.230  -3.994  -4.372
  370    HE1  PHE  50           1HE      PHE  50  -2.336  -2.959  -0.308
  371    HE2  PHE  50           2HE      PHE  50   0.402  -1.762  -3.340
  372    HZ   PHE  50           HZ       PHE  50  -0.877  -1.247  -1.311
  373    H    ALA  51           H        ALA  51  -1.447  -6.894  -6.645
  374    HA   ALA  51           HA       ALA  51  -1.449  -4.329  -7.877
  375   1HB   ALA  51          1HB       ALA  51   0.129  -6.095  -8.506
  376   2HB   ALA  51          2HB       ALA  51  -0.774  -5.513  -9.905
  377   3HB   ALA  51          3HB       ALA  51  -1.201  -7.053  -9.154
  378    H    ASP  52           H        ASP  52  -3.682  -6.979  -7.788
  379    HA   ASP  52           HA       ASP  52  -5.351  -6.095  -9.943
  380   1HB   ASP  52          2HB       ASP  52  -5.215  -8.435  -8.961
  381   2HB   ASP  52          1HB       ASP  52  -6.101  -7.814  -7.606
  382    H    LEU  53           H        LEU  53  -5.381  -5.930  -6.424
  383    HA   LEU  53           HA       LEU  53  -7.644  -4.488  -5.920
  384   1HB   LEU  53          2HB       LEU  53  -4.937  -4.449  -4.658
  385   2HB   LEU  53          1HB       LEU  53  -6.285  -3.637  -3.954
  386    HG   LEU  53           HG       LEU  53  -5.937  -6.582  -4.340
  387   1HD1  LEU  53          1HD1      LEU  53  -4.666  -5.610  -2.466
  388   2HD1  LEU  53          2HD1      LEU  53  -5.981  -6.629  -1.891
  389   3HD1  LEU  53          3HD1      LEU  53  -6.150  -4.880  -1.858
  390   1HD2  LEU  53          1HD2      LEU  53  -8.059  -6.831  -3.145
  391   2HD2  LEU  53          2HD2      LEU  53  -8.283  -6.018  -4.693
  392   3HD2  LEU  53          3HD2      LEU  53  -8.287  -5.085  -3.185
  393    H    ALA  54           H        ALA  54  -4.454  -3.351  -6.865
  394    HA   ALA  54           HA       ALA  54  -4.951  -0.592  -6.682
  395   1HB   ALA  54          1HB       ALA  54  -2.702  -1.552  -6.862
  396   2HB   ALA  54          2HB       ALA  54  -2.981  -0.318  -8.090
  397   3HB   ALA  54          3HB       ALA  54  -3.042  -2.029  -8.525
  398    H    LYS  55           H        LYS  55  -5.627  -2.902  -9.162
  399    HA   LYS  55           HA       LYS  55  -6.284  -0.896 -11.102
  400   1HB   LYS  55          2HB       LYS  55  -5.286  -3.096 -11.689
  401   2HB   LYS  55          1HB       LYS  55  -6.763  -3.876 -11.169
  402   1HG   LYS  55          2HG       LYS  55  -7.992  -2.873 -12.970
  403   2HG   LYS  55          1HG       LYS  55  -6.598  -1.880 -13.420
  404   1HD   LYS  55          2HD       LYS  55  -5.317  -3.924 -13.859
  405   2HD   LYS  55          1HD       LYS  55  -6.747  -4.887 -13.487
  406   1HE   LYS  55          2HE       LYS  55  -7.918  -3.907 -15.361
  407   2HE   LYS  55          1HE       LYS  55  -6.554  -2.836 -15.691
  408   1HZ   LYS  55          1HZ       LYS  55  -5.192  -4.771 -16.146
  409   2HZ   LYS  55          2HZ       LYS  55  -6.507  -4.742 -17.169
  410   3HZ   LYS  55          3HZ       LYS  55  -6.484  -5.808 -15.843
  411    H    LYS  56           H        LYS  56  -7.900  -2.500  -8.554
  412    HA   LYS  56           HA       LYS  56 -10.593  -2.314  -9.567
  413   1HB   LYS  56          2HB       LYS  56  -9.683  -2.415  -6.686
  414   2HB   LYS  56          1HB       LYS  56 -11.301  -2.708  -7.269
  415   1HG   LYS  56          2HG       LYS  56  -8.886  -4.473  -7.740
  416   2HG   LYS  56          1HG       LYS  56 -10.164  -4.767  -6.573
  417   1HD   LYS  56          2HD       LYS  56 -10.673  -6.190  -8.364
  418   2HD   LYS  56          1HD       LYS  56 -11.731  -4.811  -8.623
  419   1HE   LYS  56          2HE       LYS  56 -10.106  -3.929 -10.313
  420   2HE   LYS  56          1HE       LYS  56  -9.100  -5.334 -10.013
  421   1HZ   LYS  56          1HZ       LYS  56 -10.432  -5.588 -11.973
  422   2HZ   LYS  56          2HZ       LYS  56 -11.850  -5.382 -11.103
  423   3HZ   LYS  56          3HZ       LYS  56 -10.880  -6.739 -10.828
  424    H    LEU  57           H        LEU  57  -8.515  -0.206  -7.614
  425    HA   LEU  57           HA       LEU  57 -10.632   1.741  -7.766
  426   1HB   LEU  57          2HB       LEU  57  -8.444   1.350  -5.767
  427   2HB   LEU  57          1HB       LEU  57  -9.469   2.773  -5.816
  428    HG   LEU  57           HG       LEU  57 -10.500  -0.017  -5.518
  429   1HD1  LEU  57          1HD1      LEU  57 -10.837   0.541  -3.115
  430   2HD1  LEU  57          2HD1      LEU  57 -10.041   2.092  -3.379
  431   3HD1  LEU  57          3HD1      LEU  57  -9.128   0.593  -3.548
  432   1HD2  LEU  57          1HD2      LEU  57 -12.559   1.098  -4.739
  433   2HD2  LEU  57          2HD2      LEU  57 -12.146   1.501  -6.402
  434   3HD2  LEU  57          3HD2      LEU  57 -11.825   2.659  -5.104
  435    HA   PRO  58           HA       PRO  58  -7.696   3.386 -10.777
  436   1HB   PRO  58          2HB       PRO  58  -9.379   5.300 -11.721
  437   2HB   PRO  58          1HB       PRO  58  -9.453   3.603 -12.209
  438   1HG   PRO  58          2HG       PRO  58 -11.094   5.046 -10.155
  439   2HG   PRO  58          1HG       PRO  58 -11.629   3.915 -11.411
  440   1HD   PRO  58          2HD       PRO  58 -11.312   3.098  -8.862
  441   2HD   PRO  58          1HD       PRO  58 -10.884   2.065 -10.237
  442    H    ASN  59           H        ASN  59  -9.413   5.330  -8.358
  443    HA   ASN  59           HA       ASN  59  -7.613   7.564  -8.895
  444   1HB   ASN  59          2HB       ASN  59 -10.054   7.971  -8.454
  445   2HB   ASN  59          1HB       ASN  59  -9.779   7.400  -6.810
  446   1HD2  ASN  59          1HD2      ASN  59 -10.317   9.338  -5.841
  447   2HD2  ASN  59          2HD2      ASN  59  -9.343  10.765  -5.968
  448    H    VAL  60           H        VAL  60  -7.823   4.896  -6.844
  449    HA   VAL  60           HA       VAL  60  -6.419   6.148  -4.652
  450    HB   VAL  60           HB       VAL  60  -7.358   3.288  -5.003
  451   1HG1  VAL  60          1HG1      VAL  60  -6.928   3.050  -2.586
  452   2HG1  VAL  60          2HG1      VAL  60  -6.194   4.659  -2.576
  453   3HG1  VAL  60          3HG1      VAL  60  -5.453   3.358  -3.501
  454   1HG2  VAL  60          1HG2      VAL  60  -9.190   4.877  -4.834
  455   2HG2  VAL  60          2HG2      VAL  60  -8.472   5.576  -3.388
  456   3HG2  VAL  60          3HG2      VAL  60  -9.077   3.923  -3.352
  457    H    LEU  61           H        LEU  61  -4.324   5.974  -4.188
  458    HA   LEU  61           HA       LEU  61  -2.619   4.786  -6.158
  459   1HB   LEU  61          2HB       LEU  61  -2.133   6.569  -3.793
  460   2HB   LEU  61          1HB       LEU  61  -0.898   6.005  -4.895
  461    HG   LEU  61           HG       LEU  61  -3.208   7.815  -5.613
  462   1HD1  LEU  61          1HD1      LEU  61  -1.562   8.923  -4.205
  463   2HD1  LEU  61          2HD1      LEU  61  -1.486   9.537  -5.859
  464   3HD1  LEU  61          3HD1      LEU  61  -0.269   8.400  -5.287
  465   1HD2  LEU  61          1HD2      LEU  61  -2.040   8.089  -7.759
  466   2HD2  LEU  61          2HD2      LEU  61  -2.537   6.422  -7.505
  467   3HD2  LEU  61          3HD2      LEU  61  -0.853   6.885  -7.263
  468    H    PHE  62           H        PHE  62  -1.602   2.933  -5.802
  469    HA   PHE  62           HA       PHE  62  -1.347   1.957  -3.057
  470   1HB   PHE  62          2HB       PHE  62  -1.475   0.367  -5.600
  471   2HB   PHE  62          1HB       PHE  62  -1.225  -0.301  -4.020
  472    HD1  PHE  62           1HD      PHE  62  -3.007  -1.050  -2.730
  473    HD2  PHE  62           2HD      PHE  62  -3.785   1.659  -5.915
  474    HE1  PHE  62           1HE      PHE  62  -5.421  -1.325  -2.372
  475    HE2  PHE  62           2HE      PHE  62  -6.199   1.388  -5.562
  476    HZ   PHE  62           HZ       PHE  62  -7.023  -0.110  -3.785
  477    H    LEU  63           H        LEU  63   0.593   1.424  -2.460
  478    HA   LEU  63           HA       LEU  63   2.791   1.739  -4.382
  479   1HB   LEU  63          2HB       LEU  63   2.579   3.009  -1.678
  480   2HB   LEU  63          1HB       LEU  63   4.105   2.784  -2.489
  481    HG   LEU  63           HG       LEU  63   3.230   4.266  -4.335
  482   1HD1  LEU  63          1HD1      LEU  63   1.016   4.838  -2.387
  483   2HD1  LEU  63          2HD1      LEU  63   0.851   4.048  -3.953
  484   3HD1  LEU  63          3HD1      LEU  63   1.353   5.737  -3.865
  485   1HD2  LEU  63          1HD2      LEU  63   3.558   6.334  -3.073
  486   2HD2  LEU  63          2HD2      LEU  63   4.744   5.097  -2.664
  487   3HD2  LEU  63          3HD2      LEU  63   3.401   5.426  -1.570
  488    H    LYS  64           H        LYS  64   4.570   0.497  -4.121
  489    HA   LYS  64           HA       LYS  64   4.586  -1.476  -2.001
  490   1HB   LYS  64          2HB       LYS  64   5.752  -1.261  -4.746
  491   2HB   LYS  64          1HB       LYS  64   6.489  -2.301  -3.559
  492   1HG   LYS  64          2HG       LYS  64   3.647  -2.494  -4.537
  493   2HG   LYS  64          1HG       LYS  64   4.988  -3.442  -5.169
  494   1HD   LYS  64          2HD       LYS  64   5.331  -4.410  -2.926
  495   2HD   LYS  64          1HD       LYS  64   3.939  -3.503  -2.333
  496   1HE   LYS  64          2HE       LYS  64   2.492  -4.677  -3.888
  497   2HE   LYS  64          1HE       LYS  64   3.876  -5.544  -4.553
  498   1HZ   LYS  64          1HZ       LYS  64   2.809  -5.785  -1.768
  499   2HZ   LYS  64          2HZ       LYS  64   4.203  -6.539  -2.333
  500   3HZ   LYS  64          3HZ       LYS  64   2.719  -6.949  -2.984
  501    H    VAL  65           H        VAL  65   5.839  -0.759  -0.385
  502    HA   VAL  65           HA       VAL  65   8.183   0.828  -1.133
  503    HB   VAL  65           HB       VAL  65   6.880   0.489   1.597
  504   1HG1  VAL  65          1HG1      VAL  65   9.263   2.169   0.785
  505   2HG1  VAL  65          2HG1      VAL  65   9.322   0.722   1.791
  506   3HG1  VAL  65          3HG1      VAL  65   8.500   2.169   2.375
  507   1HG2  VAL  65          1HG2      VAL  65   7.066   2.875  -0.231
  508   2HG2  VAL  65          2HG2      VAL  65   6.363   2.867   1.387
  509   3HG2  VAL  65          3HG2      VAL  65   5.620   1.921   0.094
  510    H    ASP  66           H        ASP  66   9.926  -0.282  -1.320
  511    HA   ASP  66           HA       ASP  66   9.994  -2.927  -0.207
  512   1HB   ASP  66          2HB       ASP  66  10.826  -2.472  -2.522
  513   2HB   ASP  66          1HB       ASP  66  12.086  -1.490  -1.762
  514    H    THR  67           H        THR  67  10.569  -3.210   1.705
  515    HA   THR  67           HA       THR  67  11.729  -1.154   3.280
  516    HB   THR  67           HB       THR  67  10.071  -2.598   4.294
  517    HG1  THR  67           1HG      THR  67  12.617  -2.432   5.352
  518   1HG2  THR  67          1HG2      THR  67  10.536  -4.942   4.829
  519   2HG2  THR  67          2HG2      THR  67  12.061  -4.843   3.937
  520   3HG2  THR  67          3HG2      THR  67  10.524  -4.661   3.089
  521    H    ASP  68           H        ASP  68  13.184  -3.431   1.306
  522    HA   ASP  68           HA       ASP  68  15.585  -3.723   2.889
  523   1HB   ASP  68          2HB       ASP  68  14.790  -5.429   1.183
  524   2HB   ASP  68          1HB       ASP  68  15.177  -4.260  -0.059
  525    H    GLU  69           H        GLU  69  14.397  -1.914   0.116
  526    HA   GLU  69           HA       GLU  69  16.652  -0.310  -0.349
  527   1HB   GLU  69          2HB       GLU  69  13.716   0.134  -0.886
  528   2HB   GLU  69          1HB       GLU  69  15.034   1.066  -1.550
  529   1HG   GLU  69          2HG       GLU  69  14.546  -1.848  -2.053
  530   2HG   GLU  69          1HG       GLU  69  14.037  -0.551  -3.124
  531    H    LEU  70           H        LEU  70  13.397   0.520   1.007
  532    HA   LEU  70           HA       LEU  70  14.536   2.773   2.332
  533   1HB   LEU  70          2HB       LEU  70  11.783   1.964   1.548
  534   2HB   LEU  70          1HB       LEU  70  12.132   3.343   2.554
  535    HG   LEU  70           HG       LEU  70  13.054   2.957  -0.301
  536   1HD1  LEU  70          1HD1      LEU  70  11.490   4.771  -0.818
  537   2HD1  LEU  70          2HD1      LEU  70  10.927   4.757   0.854
  538   3HD1  LEU  70          3HD1      LEU  70  10.671   3.350  -0.180
  539   1HD2  LEU  70          1HD2      LEU  70  14.655   4.290   0.970
  540   2HD2  LEU  70          2HD2      LEU  70  13.353   5.313   1.564
  541   3HD2  LEU  70          3HD2      LEU  70  13.761   5.315  -0.148
  542    H    LYS  71           H        LYS  71  15.428   1.192   3.810
  543    HA   LYS  71           HA       LYS  71  13.776  -0.160   5.681
  544   1HB   LYS  71          2HB       LYS  71  15.890  -0.322   7.033
  545   2HB   LYS  71          1HB       LYS  71  15.998  -0.957   5.399
  546   1HG   LYS  71          2HG       LYS  71  17.117   1.033   4.658
  547   2HG   LYS  71          1HG       LYS  71  16.980   1.761   6.265
  548   1HD   LYS  71          2HD       LYS  71  18.353  -0.083   7.162
  549   2HD   LYS  71          1HD       LYS  71  18.479  -0.746   5.533
  550   1HE   LYS  71          2HE       LYS  71  19.627   1.242   4.765
  551   2HE   LYS  71          1HE       LYS  71  19.436   1.997   6.344
  552   1HZ   LYS  71          1HZ       LYS  71  20.989  -0.467   5.786
  553   2HZ   LYS  71          2HZ       LYS  71  20.856   0.330   7.291
  554   3HZ   LYS  71          3HZ       LYS  71  21.627   1.080   5.991
  555    H    SER  72           H        SER  72  15.027   3.055   5.453
  556    HA   SER  72           HA       SER  72  14.745   3.843   8.132
  557   1HB   SER  72          2HB       SER  72  14.653   5.485   5.632
  558   2HB   SER  72          1HB       SER  72  15.048   6.085   7.251
  559    HG   SER  72           HG       SER  72  16.865   4.721   7.242
  560    H    VAL  73           H        VAL  73  12.515   3.796   5.409
  561    HA   VAL  73           HA       VAL  73  10.462   5.299   6.669
  562    HB   VAL  73           HB       VAL  73  10.243   3.260   4.417
  563   1HG1  VAL  73          1HG1      VAL  73   8.142   4.394   3.846
  564   2HG1  VAL  73          2HG1      VAL  73   8.318   5.429   5.264
  565   3HG1  VAL  73          3HG1      VAL  73   8.079   3.694   5.466
  566   1HG2  VAL  73          1HG2      VAL  73  11.758   5.086   3.850
  567   2HG2  VAL  73          2HG2      VAL  73  10.527   6.262   4.305
  568   3HG2  VAL  73          3HG2      VAL  73  10.264   5.205   2.920
  569    H    ALA  74           H        ALA  74  11.213   1.871   6.406
  570    HA   ALA  74           HA       ALA  74   8.954   0.849   7.752
  571   1HB   ALA  74          1HB       ALA  74  10.502  -0.556   6.455
  572   2HB   ALA  74          2HB       ALA  74  10.300  -1.154   8.102
  573   3HB   ALA  74          3HB       ALA  74  11.755  -0.266   7.659
  574    H    SER  75           H        SER  75  12.112   1.911   8.964
  575    HA   SER  75           HA       SER  75  11.557   1.312  11.653
  576   1HB   SER  75          2HB       SER  75  13.455   3.340  10.475
  577   2HB   SER  75          1HB       SER  75  13.474   2.776  12.146
  578    HG   SER  75           HG       SER  75  13.680   0.611  11.174
  579    H    ASP  76           H        ASP  76  10.841   4.154   9.677
  580    HA   ASP  76           HA       ASP  76  10.200   5.879  11.866
  581   1HB   ASP  76          2HB       ASP  76  10.791   6.806   9.677
  582   2HB   ASP  76          1HB       ASP  76   9.379   6.050   8.957
  583    H    TRP  77           H        TRP  77   8.315   3.730   9.838
  584    HA   TRP  77           HA       TRP  77   5.883   4.457  11.173
  585   1HB   TRP  77          2HB       TRP  77   6.514   2.578   8.946
  586   2HB   TRP  77          1HB       TRP  77   4.884   2.723   9.594
  587    HD1  TRP  77           HD       TRP  77   7.562   5.095   8.019
  588    HE1  TRP  77           1HE      TRP  77   6.339   6.830   6.569
  589    HE3  TRP  77           3HE      TRP  77   2.749   3.639   8.912
  590    HZ2  TRP  77           2HZ      TRP  77   3.678   7.488   5.885
  591    HZ3  TRP  77           3HZ      TRP  77   0.928   4.864   7.815
  592    HH2  TRP  77           HH       TRP  77   1.383   6.751   6.333
  593    H    ALA  78           H        ALA  78   8.363   2.631  11.980
  594    HA   ALA  78           HA       ALA  78   8.883   0.832  13.188
  595   1HB   ALA  78          1HB       ALA  78   7.545   0.356  15.176
  596   2HB   ALA  78          2HB       ALA  78   6.202   1.294  14.513
  597   3HB   ALA  78          3HB       ALA  78   7.717   2.090  14.932
  598    H    ILE  79           H        ILE  79   8.723  -0.275  11.198
  599    HA   ILE  79           HA       ILE  79   6.646  -2.336  11.184
  600    HB   ILE  79           HB       ILE  79   8.290  -1.256   8.886
  601   1HG1  ILE  79          2HG1      ILE  79   5.364  -0.882   9.541
  602   2HG1  ILE  79          1HG1      ILE  79   6.614   0.333   9.748
  603   1HG2  ILE  79          1HG2      ILE  79   6.023  -3.262   8.902
  604   2HG2  ILE  79          2HG2      ILE  79   7.720  -3.618   8.584
  605   3HG2  ILE  79          3HG2      ILE  79   6.807  -2.609   7.462
  606   1HD1  ILE  79          1HD1      ILE  79   6.977   0.341   7.345
  607   2HD1  ILE  79          2HD1      ILE  79   5.304   0.715   7.764
  608   3HD1  ILE  79          3HD1      ILE  79   5.729  -0.889   7.162
  609    H    GLN  80           H        GLN  80   7.555  -3.988  12.196
  610    HA   GLN  80           HA       GLN  80  10.301  -4.733  11.483
  611   1HB   GLN  80          2HB       GLN  80   9.919  -4.224  13.853
  612   2HB   GLN  80          1HB       GLN  80   8.676  -5.459  13.920
  613   1HG   GLN  80          2HG       GLN  80  10.690  -6.290  14.910
  614   2HG   GLN  80          1HG       GLN  80  10.373  -7.160  13.414
  615   1HE2  GLN  80          1HE2      GLN  80  12.825  -6.793  14.912
  616   2HE2  GLN  80          2HE2      GLN  80  13.980  -6.090  13.840
  617    H    ALA  81           H        ALA  81   6.983  -5.789  11.705
  618    HA   ALA  81           HA       ALA  81   7.746  -8.429  10.776
  619   1HB   ALA  81          1HB       ALA  81   5.433  -9.054  11.270
  620   2HB   ALA  81          2HB       ALA  81   5.075  -7.383  11.701
  621   3HB   ALA  81          3HB       ALA  81   6.209  -8.317  12.671
  622    H    MET  82           H        MET  82   7.625  -8.916   8.757
  623    HA   MET  82           HA       MET  82   6.404  -7.025   6.890
  624   1HB   MET  82          2HB       MET  82   8.455  -9.193   6.465
  625   2HB   MET  82          1HB       MET  82   7.844  -8.111   5.239
  626   1HG   MET  82          2HG       MET  82   8.859  -6.225   6.217
  627   2HG   MET  82          1HG       MET  82   9.220  -7.101   7.702
  628   1HE   MET  82          1HE       MET  82  11.244  -8.254   3.732
  629   2HE   MET  82          2HE       MET  82   9.928  -7.082   3.805
  630   3HE   MET  82          3HE       MET  82   9.630  -8.776   4.206
  631    HA   PRO  83           HA       PRO  83   5.670  -6.835   5.118
  632   1HB   PRO  83          2HB       PRO  83   3.735  -6.823   3.291
  633   2HB   PRO  83          1HB       PRO  83   5.195  -7.787   3.047
  634   1HG   PRO  83          2HG       PRO  83   2.456  -8.669   3.778
  635   2HG   PRO  83          1HG       PRO  83   3.706  -9.523   2.862
  636   1HD   PRO  83          2HD       PRO  83   3.070  -9.824   5.627
  637   2HD   PRO  83          1HD       PRO  83   4.408 -10.578   4.739
  638    H    THR  84           H        THR  84   4.470  -4.856   5.360
  639    HA   THR  84           HA       THR  84   2.017  -5.145   6.928
  640    HB   THR  84           HB       THR  84   3.949  -2.926   6.793
  641    HG1  THR  84           1HG      THR  84   4.195  -5.018   8.215
  642   1HG2  THR  84          1HG2      THR  84   1.408  -3.093   8.422
  643   2HG2  THR  84          2HG2      THR  84   1.732  -1.985   7.092
  644   3HG2  THR  84          3HG2      THR  84   2.617  -1.823   8.607
  645    H    PHE  85           H        PHE  85   0.157  -4.561   5.918
  646    HA   PHE  85           HA       PHE  85   0.319  -2.876   3.554
  647   1HB   PHE  85          2HB       PHE  85  -2.035  -4.469   4.654
  648   2HB   PHE  85          1HB       PHE  85  -1.836  -3.732   3.090
  649    HD1  PHE  85           1HD      PHE  85  -0.701  -4.854   1.303
  650    HD2  PHE  85           2HD      PHE  85  -0.798  -6.538   5.212
  651    HE1  PHE  85           1HE      PHE  85   0.115  -6.997   0.412
  652    HE2  PHE  85           2HE      PHE  85   0.017  -8.662   4.332
  653    HZ   PHE  85           HZ       PHE  85   0.475  -8.906   1.939
  654    H    MET  86           H        MET  86  -0.238  -0.810   3.985
  655    HA   MET  86           HA       MET  86  -1.722  -0.324   6.464
  656   1HB   MET  86          2HB       MET  86   0.571   0.502   6.566
  657   2HB   MET  86          1HB       MET  86   0.320   1.422   5.096
  658   1HG   MET  86          2HG       MET  86  -1.195   1.937   7.655
  659   2HG   MET  86          1HG       MET  86   0.320   2.725   7.265
  660   1HE   MET  86          1HE       MET  86  -0.087   3.141   4.053
  661   2HE   MET  86          2HE       MET  86   0.605   4.344   5.138
  662   3HE   MET  86          3HE       MET  86  -0.721   4.789   4.061
  663    H    PHE  87           H        PHE  87  -3.629   0.641   6.374
  664    HA   PHE  87           HA       PHE  87  -4.467   1.766   3.853
  665   1HB   PHE  87          2HB       PHE  87  -5.824   0.289   6.062
  666   2HB   PHE  87          1HB       PHE  87  -6.697   1.111   4.803
  667    HD1  PHE  87           1HD      PHE  87  -6.844   0.112   2.586
  668    HD2  PHE  87           2HD      PHE  87  -4.503  -1.720   5.630
  669    HE1  PHE  87           1HE      PHE  87  -6.699  -1.938   1.235
  670    HE2  PHE  87           2HE      PHE  87  -4.349  -3.773   4.282
  671    HZ   PHE  87           HZ       PHE  87  -5.450  -3.882   2.081
  672    H    LEU  88           H        LEU  88  -4.487   3.965   4.126
  673    HA   LEU  88           HA       LEU  88  -5.644   4.896   6.581
  674   1HB   LEU  88          2HB       LEU  88  -4.306   6.950   6.404
  675   2HB   LEU  88          1HB       LEU  88  -3.322   5.503   6.413
  676    HG   LEU  88           HG       LEU  88  -2.967   5.795   3.936
  677   1HD1  LEU  88          1HD1      LEU  88  -4.299   8.428   4.426
  678   2HD1  LEU  88          2HD1      LEU  88  -4.880   7.153   3.348
  679   3HD1  LEU  88          3HD1      LEU  88  -3.390   8.033   2.978
  680   1HD2  LEU  88          1HD2      LEU  88  -1.357   7.619   4.161
  681   2HD2  LEU  88          2HD2      LEU  88  -1.296   6.526   5.543
  682   3HD2  LEU  88          3HD2      LEU  88  -2.103   8.087   5.688
  683    H    LYS  89           H        LYS  89  -6.809   7.047   6.204
  684    HA   LYS  89           HA       LYS  89  -7.762   7.246   3.463
  685   1HB   LYS  89          2HB       LYS  89  -9.395   5.990   4.776
  686   2HB   LYS  89          1HB       LYS  89  -9.490   7.328   5.913
  687   1HG   LYS  89          2HG       LYS  89 -10.486   8.735   4.212
  688   2HG   LYS  89          1HG       LYS  89 -10.285   7.459   3.007
  689   1HD   LYS  89          2HD       LYS  89 -11.732   5.991   4.318
  690   2HD   LYS  89          1HD       LYS  89 -11.950   7.269   5.511
  691   1HE   LYS  89          2HE       LYS  89 -13.019   8.664   3.804
  692   2HE   LYS  89          1HE       LYS  89 -12.760   7.394   2.611
  693   1HZ   LYS  89          1HZ       LYS  89 -15.017   7.357   3.516
  694   2HZ   LYS  89          2HZ       LYS  89 -14.406   7.104   5.066
  695   3HZ   LYS  89          3HZ       LYS  89 -14.196   5.930   3.888
  696    H    GLU  90           H        GLU  90  -7.309   9.119   2.755
  697    HA   GLU  90           HA       GLU  90  -6.723  11.208   2.539
  698   1HB   GLU  90          2HB       GLU  90  -8.848  11.559   4.601
  699   2HB   GLU  90          1HB       GLU  90  -8.161  12.905   3.691
  700   1HG   GLU  90          2HG       GLU  90  -8.918  11.846   1.604
  701   2HG   GLU  90          1HG       GLU  90  -9.647  10.544   2.543
  702    H    GLY  91           H        GLY  91  -4.990   9.918   4.093
  703   1HA   GLY  91          2HA       GLY  91  -3.004  10.614   5.131
  704   2HA   GLY  91          1HA       GLY  91  -3.815  12.095   5.602
  705    H    LYS  92           H        LYS  92  -6.028  10.110   6.646
  706    HA   LYS  92           HA       LYS  92  -4.791   9.938   9.295
  707   1HB   LYS  92          2HB       LYS  92  -7.665   9.743   8.349
  708   2HB   LYS  92          1HB       LYS  92  -7.197   9.295   9.960
  709   1HG   LYS  92          2HG       LYS  92  -8.262  11.497   9.907
  710   2HG   LYS  92          1HG       LYS  92  -6.609  11.632  10.460
  711   1HD   LYS  92          2HD       LYS  92  -7.316  12.159   7.579
  712   2HD   LYS  92          1HD       LYS  92  -7.617  13.389   8.803
  713   1HE   LYS  92          2HE       LYS  92  -5.243  13.354   9.407
  714   2HE   LYS  92          1HE       LYS  92  -4.956  12.101   8.205
  715   1HZ   LYS  92          1HZ       LYS  92  -4.330  14.263   7.370
  716   2HZ   LYS  92          2HZ       LYS  92  -5.877  14.871   7.637
  717   3HZ   LYS  92          3HZ       LYS  92  -5.637  13.678   6.475
  718    H    ILE  93           H        ILE  93  -4.252   7.975  10.127
  719    HA   ILE  93           HA       ILE  93  -4.344   5.700   8.385
  720    HB   ILE  93           HB       ILE  93  -3.472   5.871  11.277
  721   1HG1  ILE  93          2HG1      ILE  93  -2.202   7.356   9.758
  722   2HG1  ILE  93          1HG1      ILE  93  -1.167   6.080  10.447
  723   1HG2  ILE  93          1HG2      ILE  93  -2.212   3.802  10.824
  724   2HG2  ILE  93          2HG2      ILE  93  -2.916   3.745   9.208
  725   3HG2  ILE  93          3HG2      ILE  93  -3.952   3.581  10.627
  726   1HD1  ILE  93          1HD1      ILE  93  -2.308   6.384   7.713
  727   2HD1  ILE  93          2HD1      ILE  93  -1.457   4.933   8.255
  728   3HD1  ILE  93          3HD1      ILE  93  -0.615   6.488   8.185
  729    H    LEU  94           H        LEU  94  -5.836   4.131   8.336
  730    HA   LEU  94           HA       LEU  94  -7.904   4.209  10.370
  731   1HB   LEU  94          2HB       LEU  94  -7.776   2.906   7.682
  732   2HB   LEU  94          1HB       LEU  94  -9.125   2.731   8.767
  733    HG   LEU  94           HG       LEU  94  -8.209   5.250   7.370
  734   1HD1  LEU  94          1HD1      LEU  94 -10.415   5.125   6.321
  735   2HD1  LEU  94          2HD1      LEU  94 -10.702   3.595   7.141
  736   3HD1  LEU  94          3HD1      LEU  94  -9.410   3.728   5.945
  737   1HD2  LEU  94          1HD2      LEU  94 -10.157   6.341   8.388
  738   2HD2  LEU  94          2HD2      LEU  94  -8.979   5.840   9.593
  739   3HD2  LEU  94          3HD2      LEU  94 -10.456   4.897   9.359
  740    H    ASP  95           H        ASP  95  -6.015   1.808   8.514
  741    HA   ASP  95           HA       ASP  95  -5.597   0.237  10.830
  742   1HB   ASP  95          2HB       ASP  95  -6.641  -1.754   9.778
  743   2HB   ASP  95          1HB       ASP  95  -7.771  -0.663  10.567
  744    H    LYS  96           H        LYS  96  -4.352  -1.628  10.410
  745    HA   LYS  96           HA       LYS  96  -3.111  -1.692   7.776
  746   1HB   LYS  96          2HB       LYS  96  -0.867  -1.853   8.721
  747   2HB   LYS  96          1HB       LYS  96  -1.610  -0.329   9.176
  748   1HG   LYS  96          2HG       LYS  96  -2.023  -1.126  11.401
  749   2HG   LYS  96          1HG       LYS  96  -1.487  -2.751  10.966
  750   1HD   LYS  96          2HD       LYS  96   0.759  -1.851  10.498
  751   2HD   LYS  96          1HD       LYS  96   0.203  -0.252  10.990
  752   1HE   LYS  96          2HE       LYS  96  -0.235  -1.057  13.228
  753   2HE   LYS  96          1HE       LYS  96   0.187  -2.700  12.750
  754   1HZ   LYS  96          1HZ       LYS  96   2.052  -0.382  12.768
  755   2HZ   LYS  96          2HZ       LYS  96   2.446  -1.967  12.347
  756   3HZ   LYS  96          3HZ       LYS  96   1.996  -1.617  13.909
  757    H    VAL  97           H        VAL  97  -2.267  -3.672   7.249
  758    HA   VAL  97           HA       VAL  97  -3.020  -5.902   9.034
  759    HB   VAL  97           HB       VAL  97  -2.681  -5.968   6.014
  760   1HG1  VAL  97          1HG1      VAL  97  -2.195  -8.103   7.056
  761   2HG1  VAL  97          2HG1      VAL  97  -3.699  -8.192   6.142
  762   3HG1  VAL  97          3HG1      VAL  97  -3.745  -8.065   7.903
  763   1HG2  VAL  97          1HG2      VAL  97  -5.116  -6.209   5.870
  764   2HG2  VAL  97          2HG2      VAL  97  -4.661  -4.668   6.599
  765   3HG2  VAL  97          3HG2      VAL  97  -5.239  -5.988   7.614
  766    H    VAL  98           H        VAL  98  -1.277  -6.830   9.880
  767    HA   VAL  98           HA       VAL  98   1.254  -6.566   8.454
  768    HB   VAL  98           HB       VAL  98   0.753  -7.151  11.331
  769   1HG1  VAL  98          1HG1      VAL  98   2.867  -8.075  10.546
  770   2HG1  VAL  98          2HG1      VAL  98   3.167  -6.696  11.608
  771   3HG1  VAL  98          3HG1      VAL  98   3.306  -6.510   9.860
  772   1HG2  VAL  98          1HG2      VAL  98   0.094  -4.876  10.837
  773   2HG2  VAL  98          2HG2      VAL  98   1.641  -4.576  10.046
  774   3HG2  VAL  98          3HG2      VAL  98   1.583  -4.866  11.785
  775    H    GLY  99           H        GLY  99   1.921  -8.317   7.495
  776   1HA   GLY  99          2HA       GLY  99   2.525 -10.643   7.499
  777   2HA   GLY  99          1HA       GLY  99   1.175 -10.942   8.595
  778    H    ALA 100           H        ALA 100   1.902 -11.883   5.696
  779    HA   ALA 100           HA       ALA 100  -0.338 -10.738   4.254
  780   1HB   ALA 100          1HB       ALA 100   1.772 -11.196   3.079
  781   2HB   ALA 100          2HB       ALA 100   0.423 -12.104   2.398
  782   3HB   ALA 100          3HB       ALA 100   1.590 -12.914   3.441
  783    H    LYS 101           H        LYS 101  -2.181 -11.351   4.951
  784    HA   LYS 101           HA       LYS 101  -2.790 -14.186   4.882
  785   1HB   LYS 101          2HB       LYS 101  -3.911 -12.003   6.576
  786   2HB   LYS 101          1HB       LYS 101  -4.709 -13.554   6.345
  787   1HG   LYS 101          2HG       LYS 101  -2.797 -14.659   7.381
  788   2HG   LYS 101          1HG       LYS 101  -1.996 -13.087   7.592
  789   1HD   LYS 101          2HD       LYS 101  -2.996 -13.861   9.560
  790   2HD   LYS 101          1HD       LYS 101  -3.848 -12.421   8.957
  791   1HE   LYS 101          2HE       LYS 101  -5.607 -13.994   8.004
  792   2HE   LYS 101          1HE       LYS 101  -4.747 -15.313   8.778
  793   1HZ   LYS 101          1HZ       LYS 101  -6.636 -14.589  10.091
  794   2HZ   LYS 101          2HZ       LYS 101  -6.047 -13.033  10.173
  795   3HZ   LYS 101          3HZ       LYS 101  -5.210 -14.284  10.931
  796    H    LYS 102           H        LYS 102  -4.027 -14.505   3.027
  797    HA   LYS 102           HA       LYS 102  -5.025 -12.308   1.615
  798   1HB   LYS 102          2HB       LYS 102  -4.302 -14.420   0.570
  799   2HB   LYS 102          1HB       LYS 102  -5.655 -15.229   1.355
  800   1HG   LYS 102          2HG       LYS 102  -7.218 -13.960   0.099
  801   2HG   LYS 102          1HG       LYS 102  -5.916 -12.991  -0.606
  802   1HD   LYS 102          2HD       LYS 102  -6.671 -14.693  -2.215
  803   2HD   LYS 102          1HD       LYS 102  -5.015 -15.005  -1.695
  804   1HE   LYS 102          2HE       LYS 102  -5.852 -16.682  -0.104
  805   2HE   LYS 102          1HE       LYS 102  -7.496 -16.380  -0.663
  806   1HZ   LYS 102          1HZ       LYS 102  -5.253 -17.443  -2.278
  807   2HZ   LYS 102          2HZ       LYS 102  -6.803 -17.132  -2.874
  808   3HZ   LYS 102          3HZ       LYS 102  -6.568 -18.325  -1.709
  809    H    ASP 103           H        ASP 103  -6.451 -14.641   3.805
  810    HA   ASP 103           HA       ASP 103  -9.182 -13.961   3.445
  811   1HB   ASP 103          2HB       ASP 103  -8.476 -16.069   4.469
  812   2HB   ASP 103          1HB       ASP 103  -7.767 -15.189   5.813
  813    H    GLU 104           H        GLU 104  -6.734 -12.859   5.688
  814    HA   GLU 104           HA       GLU 104  -8.387 -11.190   7.343
  815   1HB   GLU 104          2HB       GLU 104  -6.007 -12.072   7.802
  816   2HB   GLU 104          1HB       GLU 104  -5.477 -10.800   6.714
  817   1HG   GLU 104          2HG       GLU 104  -5.158 -10.061   8.941
  818   2HG   GLU 104          1HG       GLU 104  -6.511  -9.156   8.260
  819    H    LEU 105           H        LEU 105  -6.388 -10.693   4.512
  820    HA   LEU 105           HA       LEU 105  -6.658  -7.948   4.244
  821   1HB   LEU 105          2HB       LEU 105  -5.168  -9.522   2.978
  822   2HB   LEU 105          1HB       LEU 105  -6.558  -9.994   2.082
  823    HG   LEU 105           HG       LEU 105  -6.903  -7.795   1.192
  824   1HD1  LEU 105          1HD1      LEU 105  -4.374  -7.034   2.675
  825   2HD1  LEU 105          2HD1      LEU 105  -6.001  -6.414   2.987
  826   3HD1  LEU 105          3HD1      LEU 105  -5.185  -6.031   1.476
  827   1HD2  LEU 105          1HD2      LEU 105  -5.508  -9.338  -0.061
  828   2HD2  LEU 105          2HD2      LEU 105  -4.080  -8.774   0.809
  829   3HD2  LEU 105          3HD2      LEU 105  -4.934  -7.686  -0.280
  830    H    GLN 106           H        GLN 106  -8.505 -10.617   3.066
  831    HA   GLN 106           HA       GLN 106 -10.489  -9.230   1.597
  832   1HB   GLN 106          2HB       GLN 106 -11.008 -11.739   3.211
  833   2HB   GLN 106          1HB       GLN 106 -12.031 -11.107   1.937
  834   1HG   GLN 106          2HG       GLN 106  -9.294 -12.322   1.678
  835   2HG   GLN 106          1HG       GLN 106 -10.823 -12.981   1.109
  836   1HE2  GLN 106          1HE2      GLN 106  -8.294 -10.779   0.564
  837   2HE2  GLN 106          2HE2      GLN 106  -8.732 -10.308  -1.044
  838    H    SER 107           H        SER 107 -10.307  -9.897   5.063
  839    HA   SER 107           HA       SER 107 -12.907  -8.869   5.625
  840   1HB   SER 107          2HB       SER 107 -10.509  -9.157   7.455
  841   2HB   SER 107          1HB       SER 107 -12.189  -8.960   7.972
  842    HG   SER 107           HG       SER 107 -12.178 -10.964   6.309
  843    H    THR 108           H        THR 108  -9.713  -7.511   5.474
  844    HA   THR 108           HA       THR 108 -10.419  -4.942   6.439
  845    HB   THR 108           HB       THR 108  -8.094  -5.823   4.706
  846    HG1  THR 108           1HG      THR 108  -8.444  -6.758   6.946
  847   1HG2  THR 108          1HG2      THR 108  -6.979  -3.802   5.544
  848   2HG2  THR 108          2HG2      THR 108  -8.434  -3.343   6.420
  849   3HG2  THR 108          3HG2      THR 108  -8.439  -3.381   4.656
  850    H    ILE 109           H        ILE 109 -10.297  -6.441   3.234
  851    HA   ILE 109           HA       ILE 109 -10.758  -4.097   1.762
  852    HB   ILE 109           HB       ILE 109 -11.484  -6.952   1.026
  853   1HG1  ILE 109          2HG1      ILE 109  -9.091  -5.256   0.272
  854   2HG1  ILE 109          1HG1      ILE 109  -9.079  -6.560   1.449
  855   1HG2  ILE 109          1HG2      ILE 109 -11.546  -6.112  -1.302
  856   2HG2  ILE 109          2HG2      ILE 109 -11.272  -4.476  -0.683
  857   3HG2  ILE 109          3HG2      ILE 109 -12.761  -5.326  -0.284
  858   1HD1  ILE 109          1HD1      ILE 109  -8.151  -7.252  -0.669
  859   2HD1  ILE 109          2HD1      ILE 109  -9.658  -6.843  -1.485
  860   3HD1  ILE 109          3HD1      ILE 109  -9.621  -8.157  -0.306
  861    H    ALA 110           H        ALA 110 -13.007  -6.470   3.171
  862    HA   ALA 110           HA       ALA 110 -15.337  -5.201   2.131
  863   1HB   ALA 110          1HB       ALA 110 -15.105  -6.976   4.567
  864   2HB   ALA 110          2HB       ALA 110 -15.317  -7.556   2.915
  865   3HB   ALA 110          3HB       ALA 110 -16.584  -6.600   3.685
  866    H    LYS 111           H        LYS 111 -13.430  -4.657   4.937
  867    HA   LYS 111           HA       LYS 111 -15.168  -2.970   6.381
  868   1HB   LYS 111          2HB       LYS 111 -12.910  -3.980   7.057
  869   2HB   LYS 111          1HB       LYS 111 -12.275  -2.688   6.080
  870   1HG   LYS 111          2HG       LYS 111 -13.309  -0.994   7.489
  871   2HG   LYS 111          1HG       LYS 111 -13.947  -2.257   8.541
  872   1HD   LYS 111          2HD       LYS 111 -11.677  -2.992   9.047
  873   2HD   LYS 111          1HD       LYS 111 -11.024  -1.730   7.999
  874   1HE   LYS 111          2HE       LYS 111 -12.207  -0.057   9.492
  875   2HE   LYS 111          1HE       LYS 111 -12.559  -1.397  10.571
  876   1HZ   LYS 111          1HZ       LYS 111  -9.860  -0.549   9.733
  877   2HZ   LYS 111          2HZ       LYS 111 -10.179  -1.788  10.839
  878   3HZ   LYS 111          3HZ       LYS 111 -10.533  -0.193  11.228
  879    H    HIS 112           H        HIS 112 -12.733  -2.374   3.900
  880    HA   HIS 112           HA       HIS 112 -13.284   0.468   3.822
  881   1HB   HIS 112          2HB       HIS 112 -11.321  -1.270   2.364
  882   2HB   HIS 112          1HB       HIS 112 -11.496   0.447   2.095
  883    HD1  HIS 112           1HD      HIS 112 -10.332   1.998   3.787
  884    HD2  HIS 112           2HD      HIS 112 -10.150  -2.009   4.814
  885    HE1  HIS 112           1HE      HIS 112  -8.614   1.847   5.616
  886    HE2  HIS 112           2HE      HIS 112  -8.639  -0.561   6.342
  887    H    LEU 113           H        LEU 113 -14.799  -2.233   2.315
  888    HA   LEU 113           HA       LEU 113 -14.843  -1.537  -0.308
  889   1HB   LEU 113          2HB       LEU 113 -15.463  -3.634   0.894
  890   2HB   LEU 113          1HB       LEU 113 -16.946  -2.817   1.330
  891    HG   LEU 113           HG       LEU 113 -17.124  -4.430  -0.409
  892   1HD1  LEU 113          1HD1      LEU 113 -17.764  -1.614  -1.352
  893   2HD1  LEU 113          2HD1      LEU 113 -18.809  -2.647  -0.380
  894   3HD1  LEU 113          3HD1      LEU 113 -18.466  -3.070  -2.060
  895   1HD2  LEU 113          1HD2      LEU 113 -15.408  -2.603  -2.059
  896   2HD2  LEU 113          2HD2      LEU 113 -16.317  -3.954  -2.718
  897   3HD2  LEU 113          3HD2      LEU 113 -15.044  -4.244  -1.533
  898    H    ALA 114           H        ALA 114 -15.548   0.202  -1.192
  899    HA   ALA 114           HA       ALA 114 -18.142   1.237  -0.900
  900   1HB   ALA 114          1HB       ALA 114 -17.496   3.503  -0.129
  901   2HB   ALA 114          2HB       ALA 114 -15.861   2.919   0.183
  902   3HB   ALA 114          3HB       ALA 114 -17.218   2.285   1.115
  Start of MODEL   16
    1    H    MET   1           H        MET   1 -11.850   2.778 -21.263
    2    HA   MET   1           HA       MET   1 -11.434   5.660 -21.196
    3   1HB   MET   1          2HB       MET   1 -11.371   3.640 -18.940
    4   2HB   MET   1          1HB       MET   1 -11.105   5.358 -18.748
    5   1HG   MET   1          2HG       MET   1 -13.323   4.840 -18.035
    6   2HG   MET   1          1HG       MET   1 -13.430   5.756 -19.530
    7   1HE   MET   1          1HE       MET   1 -15.860   4.113 -18.240
    8   2HE   MET   1          2HE       MET   1 -16.550   3.370 -19.684
    9   3HE   MET   1          3HE       MET   1 -15.990   5.041 -19.734
   10    H    ALA   2           H        ALA   2  -9.483   6.388 -21.640
   11    HA   ALA   2           HA       ALA   2  -7.244   4.560 -21.379
   12   1HB   ALA   2          1HB       ALA   2  -7.361   7.265 -22.702
   13   2HB   ALA   2          2HB       ALA   2  -7.509   5.710 -23.532
   14   3HB   ALA   2          3HB       ALA   2  -5.996   6.150 -22.741
   15    H    SER   3           H        SER   3  -6.867   4.543 -19.264
   16    HA   SER   3           HA       SER   3  -5.404   6.790 -18.198
   17   1HB   SER   3          2HB       SER   3  -7.788   5.596 -16.732
   18   2HB   SER   3          1HB       SER   3  -6.682   6.806 -16.083
   19    HG   SER   3           HG       SER   3  -7.618   7.642 -18.429
   20    H    GLU   4           H        GLU   4  -4.069   6.030 -16.376
   21    HA   GLU   4           HA       GLU   4  -3.484   3.230 -16.619
   22   1HB   GLU   4          2HB       GLU   4  -1.639   4.839 -16.368
   23   2HB   GLU   4          1HB       GLU   4  -2.252   5.297 -14.781
   24   1HG   GLU   4          2HG       GLU   4  -1.893   3.022 -13.977
   25   2HG   GLU   4          1HG       GLU   4  -1.295   2.558 -15.565
   26    H    GLU   5           H        GLU   5  -4.500   1.746 -15.517
   27    HA   GLU   5           HA       GLU   5  -5.363   2.270 -12.773
   28   1HB   GLU   5          2HB       GLU   5  -7.046   0.980 -14.926
   29   2HB   GLU   5          1HB       GLU   5  -7.502   1.162 -13.239
   30   1HG   GLU   5          2HG       GLU   5  -7.606   3.575 -13.513
   31   2HG   GLU   5          1HG       GLU   5  -7.048   3.422 -15.181
   32    H    GLY   6           H        GLY   6  -5.135   0.404 -11.534
   33   1HA   GLY   6          2HA       GLY   6  -4.976  -1.920 -11.217
   34   2HA   GLY   6          1HA       GLY   6  -4.667  -2.112 -12.933
   35    H    GLN   7           H        GLN   7  -2.688   0.302 -12.125
   36    HA   GLN   7           HA       GLN   7  -0.605  -1.609 -11.478
   37   1HB   GLN   7          2HB       GLN   7  -0.383   1.041 -12.746
   38   2HB   GLN   7          1HB       GLN   7   1.025   0.201 -12.150
   39   1HG   GLN   7          2HG       GLN   7   0.934  -0.199 -14.518
   40   2HG   GLN   7          1HG       GLN   7   0.491  -1.687 -13.704
   41   1HE2  GLN   7          1HE2      GLN   7  -0.563   0.904 -15.684
   42   2HE2  GLN   7          2HE2      GLN   7  -2.081   0.229 -16.159
   43    H    VAL   8           H        VAL   8   1.122  -0.895 -10.203
   44    HA   VAL   8           HA       VAL   8   0.159   0.622  -7.869
   45    HB   VAL   8           HB       VAL   8   2.061  -1.740  -7.935
   46   1HG1  VAL   8          1HG1      VAL   8   2.578  -0.229  -6.127
   47   2HG1  VAL   8          2HG1      VAL   8   1.854  -1.716  -5.506
   48   3HG1  VAL   8          3HG1      VAL   8   0.893  -0.240  -5.609
   49   1HG2  VAL   8          1HG2      VAL   8  -0.797  -1.614  -6.974
   50   2HG2  VAL   8          2HG2      VAL   8   0.279  -3.006  -6.822
   51   3HG2  VAL   8          3HG2      VAL   8  -0.216  -2.444  -8.417
   52    H    ILE   9           H        ILE   9   1.508   2.237  -7.167
   53    HA   ILE   9           HA       ILE   9   3.792   2.776  -8.837
   54    HB   ILE   9           HB       ILE   9   2.509   4.425  -6.649
   55   1HG1  ILE   9          2HG1      ILE   9   2.092   6.030  -8.586
   56   2HG1  ILE   9          1HG1      ILE   9   2.558   4.729  -9.654
   57   1HG2  ILE   9          1HG2      ILE   9   4.866   5.151  -8.373
   58   2HG2  ILE   9          2HG2      ILE   9   4.882   4.873  -6.632
   59   3HG2  ILE   9          3HG2      ILE   9   4.015   6.259  -7.297
   60   1HD1  ILE   9          1HD1      ILE   9   0.692   3.374  -8.830
   61   2HD1  ILE   9          2HD1      ILE   9   0.136   4.913  -9.493
   62   3HD1  ILE   9          3HD1      ILE   9   0.232   4.685  -7.744
   63    H    ALA  10           H        ALA  10   5.735   2.030  -8.301
   64    HA   ALA  10           HA       ALA  10   6.257   1.442  -5.484
   65   1HB   ALA  10          1HB       ALA  10   7.599   0.314  -7.946
   66   2HB   ALA  10          2HB       ALA  10   6.369  -0.504  -6.984
   67   3HB   ALA  10          3HB       ALA  10   7.946  -0.144  -6.279
   68    H    CYS  11           H        CYS  11   7.355   3.063  -4.553
   69    HA   CYS  11           HA       CYS  11   9.218   4.606  -6.112
   70   1HB   CYS  11          2HB       CYS  11   8.315   4.898  -3.248
   71   2HB   CYS  11          1HB       CYS  11   9.252   6.027  -4.186
   72    HG   CYS  11           HG       CYS  11   7.042   6.006  -6.163
   73    H    HIS  12           H        HIS  12  11.387   4.651  -5.644
   74    HA   HIS  12           HA       HIS  12  12.314   2.584  -3.778
   75   1HB   HIS  12          2HB       HIS  12  13.576   3.349  -6.426
   76   2HB   HIS  12          1HB       HIS  12  14.244   2.208  -5.275
   77    HD1  HIS  12           1HD      HIS  12  13.447  -0.185  -5.406
   78    HD2  HIS  12           2HD      HIS  12  11.144   2.399  -7.716
   79    HE1  HIS  12           1HE      HIS  12  11.903  -1.643  -6.704
   80    HE2  HIS  12           2HE      HIS  12  10.798  -0.095  -8.320
   81    H    THR  13           H        THR  13  11.975   5.727  -3.924
   82    HA   THR  13           HA       THR  13  14.473   6.190  -2.480
   83    HB   THR  13           HB       THR  13  14.484   8.549  -3.336
   84    HG1  THR  13           1HG      THR  13  13.223   8.991  -5.214
   85   1HG2  THR  13          1HG2      THR  13  15.362   8.063  -5.587
   86   2HG2  THR  13          2HG2      THR  13  14.642   6.455  -5.504
   87   3HG2  THR  13          3HG2      THR  13  15.946   6.890  -4.403
   88    H    VAL  14           H        VAL  14  14.253   7.483  -0.645
   89    HA   VAL  14           HA       VAL  14  11.654   7.558   0.487
   90    HB   VAL  14           HB       VAL  14  13.690   7.299   1.896
   91   1HG1  VAL  14          1HG1      VAL  14  14.252  10.173   1.223
   92   2HG1  VAL  14          2HG1      VAL  14  15.214   8.771   0.753
   93   3HG1  VAL  14          3HG1      VAL  14  15.085   9.222   2.452
   94   1HG2  VAL  14          1HG2      VAL  14  12.083   9.756   2.601
   95   2HG2  VAL  14          2HG2      VAL  14  13.062   8.815   3.726
   96   3HG2  VAL  14          3HG2      VAL  14  11.646   8.087   2.965
   97    H    GLU  15           H        GLU  15  13.528   9.731  -1.363
   98    HA   GLU  15           HA       GLU  15  12.324  12.188  -0.765
   99   1HB   GLU  15          2HB       GLU  15  14.391  11.888  -2.076
  100   2HB   GLU  15          1HB       GLU  15  13.430  11.225  -3.385
  101   1HG   GLU  15          2HG       GLU  15  12.190  13.351  -3.504
  102   2HG   GLU  15          1HG       GLU  15  13.282  14.014  -2.300
  103    H    THR  16           H        THR  16  11.639   9.844  -3.400
  104    HA   THR  16           HA       THR  16   9.373  11.258  -4.311
  105    HB   THR  16           HB       THR  16  10.067   8.334  -4.749
  106    HG1  THR  16           1HG      THR  16  10.932  10.752  -5.898
  107   1HG2  THR  16          1HG2      THR  16   8.301  10.211  -6.346
  108   2HG2  THR  16          2HG2      THR  16   7.734   8.877  -5.340
  109   3HG2  THR  16          3HG2      THR  16   8.686   8.546  -6.787
  110    H    TRP  17           H        TRP  17   9.832   8.657  -2.001
  111    HA   TRP  17           HA       TRP  17   7.163   8.048  -1.482
  112   1HB   TRP  17          2HB       TRP  17   8.842   6.627  -0.578
  113   2HB   TRP  17          1HB       TRP  17   9.648   7.974   0.213
  114    HD1  TRP  17           HD       TRP  17   9.273   8.083   2.685
  115    HE1  TRP  17           1HE      TRP  17   7.544   7.279   4.333
  116    HE3  TRP  17           3HE      TRP  17   5.936   6.085  -0.629
  117    HZ2  TRP  17           2HZ      TRP  17   5.021   5.951   4.269
  118    HZ3  TRP  17           3HZ      TRP  17   3.875   5.079   0.255
  119    HH2  TRP  17           HH       TRP  17   3.433   5.015   2.663
  120    H    ASN  18           H        ASN  18   9.252  10.478   0.027
  121    HA   ASN  18           HA       ASN  18   7.426  11.629   1.813
  122   1HB   ASN  18          2HB       ASN  18   9.858  12.109   1.779
  123   2HB   ASN  18          1HB       ASN  18   9.655  12.970   0.261
  124   1HD2  ASN  18          1HD2      ASN  18  10.383  14.908   1.040
  125   2HD2  ASN  18          2HD2      ASN  18   9.528  15.849   2.186
  126    H    GLU  19           H        GLU  19   8.126  12.282  -1.549
  127    HA   GLU  19           HA       GLU  19   6.515  14.489  -2.111
  128   1HB   GLU  19          2HB       GLU  19   8.269  13.498  -3.565
  129   2HB   GLU  19          1HB       GLU  19   7.234  12.120  -3.847
  130   1HG   GLU  19          2HG       GLU  19   7.185  13.533  -5.754
  131   2HG   GLU  19          1HG       GLU  19   5.619  13.632  -4.960
  132    H    GLN  20           H        GLN  20   5.769  10.947  -2.287
  133    HA   GLN  20           HA       GLN  20   3.212  11.145  -3.257
  134   1HB   GLN  20          2HB       GLN  20   4.575   9.148  -1.584
  135   2HB   GLN  20          1HB       GLN  20   3.046   8.869  -2.394
  136   1HG   GLN  20          2HG       GLN  20   5.692   9.439  -3.743
  137   2HG   GLN  20          1HG       GLN  20   4.953   7.854  -3.589
  138   1HE2  GLN  20          1HE2      GLN  20   4.962   7.580  -5.757
  139   2HE2  GLN  20          2HE2      GLN  20   3.891   8.381  -6.844
  140    H    LEU  21           H        LEU  21   4.443  10.893   0.161
  141    HA   LEU  21           HA       LEU  21   1.952  10.765   1.324
  142   1HB   LEU  21          2HB       LEU  21   4.628  11.624   2.136
  143   2HB   LEU  21          1HB       LEU  21   3.301  11.589   3.262
  144    HG   LEU  21           HG       LEU  21   4.590   9.246   1.841
  145   1HD1  LEU  21          1HD1      LEU  21   5.243   8.557   4.088
  146   2HD1  LEU  21          2HD1      LEU  21   4.497  10.014   4.753
  147   3HD1  LEU  21          3HD1      LEU  21   5.894  10.145   3.689
  148   1HD2  LEU  21          1HD2      LEU  21   2.180   8.854   2.062
  149   2HD2  LEU  21          2HD2      LEU  21   2.266   9.255   3.776
  150   3HD2  LEU  21          3HD2      LEU  21   3.086   7.820   3.167
  151    H    GLN  22           H        GLN  22   4.093  13.426   0.593
  152    HA   GLN  22           HA       GLN  22   2.570  15.422   1.772
  153   1HB   GLN  22          2HB       GLN  22   4.857  15.819   1.038
  154   2HB   GLN  22          1HB       GLN  22   4.394  15.542  -0.633
  155   1HG   GLN  22          2HG       GLN  22   4.696  17.908  -0.183
  156   2HG   GLN  22          1HG       GLN  22   3.025  17.546  -0.601
  157   1HE2  GLN  22          1HE2      GLN  22   1.463  17.733   0.965
  158   2HE2  GLN  22          2HE2      GLN  22   1.719  18.598   2.442
  159    H    LYS  23           H        LYS  23   2.422  13.943  -1.398
  160    HA   LYS  23           HA       LYS  23   0.440  15.638  -2.469
  161   1HB   LYS  23          2HB       LYS  23   1.912  14.254  -3.872
  162   2HB   LYS  23          1HB       LYS  23   1.169  12.805  -3.224
  163   1HG   LYS  23          2HG       LYS  23  -0.944  13.382  -4.246
  164   2HG   LYS  23          1HG       LYS  23  -0.273  14.903  -4.831
  165   1HD   LYS  23          2HD       LYS  23   0.690  12.145  -5.616
  166   2HD   LYS  23          1HD       LYS  23  -0.367  13.164  -6.588
  167   1HE   LYS  23          2HE       LYS  23   1.425  14.885  -6.661
  168   2HE   LYS  23          1HE       LYS  23   2.476  13.798  -5.762
  169   1HZ   LYS  23          1HZ       LYS  23   1.316  13.238  -8.436
  170   2HZ   LYS  23          2HZ       LYS  23   2.370  12.221  -7.584
  171   3HZ   LYS  23          3HZ       LYS  23   2.911  13.708  -8.130
  172    H    ALA  24           H        ALA  24   0.268  12.471  -0.811
  173    HA   ALA  24           HA       ALA  24  -2.513  12.145  -1.107
  174   1HB   ALA  24          1HB       ALA  24  -2.318  10.469   0.663
  175   2HB   ALA  24          2HB       ALA  24  -0.710  11.074   1.062
  176   3HB   ALA  24          3HB       ALA  24  -1.001  10.308  -0.499
  177    H    ASN  25           H        ASN  25  -0.572  13.719   1.283
  178    HA   ASN  25           HA       ASN  25  -2.551  14.265   3.251
  179   1HB   ASN  25          2HB       ASN  25   0.001  14.401   3.451
  180   2HB   ASN  25          1HB       ASN  25  -0.128  15.847   2.547
  181   1HD2  ASN  25          1HD2      ASN  25   0.835  16.968   4.268
  182   2HD2  ASN  25          2HD2      ASN  25  -0.102  17.504   5.601
  183    H    GLU  26           H        GLU  26  -1.051  16.196   0.807
  184    HA   GLU  26           HA       GLU  26  -2.590  18.552   1.265
  185   1HB   GLU  26          2HB       GLU  26  -0.362  18.666   0.379
  186   2HB   GLU  26          1HB       GLU  26  -0.857  17.794  -1.062
  187   1HG   GLU  26          2HG       GLU  26  -2.339  19.644  -1.650
  188   2HG   GLU  26          1HG       GLU  26  -1.783  20.518  -0.224
  189    H    SER  27           H        SER  27  -2.809  16.068  -1.321
  190    HA   SER  27           HA       SER  27  -5.026  17.526  -2.434
  191   1HB   SER  27          2HB       SER  27  -3.538  15.095  -3.364
  192   2HB   SER  27          1HB       SER  27  -4.815  15.902  -4.272
  193    HG   SER  27           HG       SER  27  -3.473  17.838  -3.979
  194    H    LYS  28           H        LYS  28  -4.739  15.459   0.024
  195    HA   LYS  28           HA       LYS  28  -6.132  14.063   1.170
  196   1HB   LYS  28          2HB       LYS  28  -8.144  15.297  -0.601
  197   2HB   LYS  28          1HB       LYS  28  -8.563  14.405   0.858
  198   1HG   LYS  28          2HG       LYS  28  -7.299  16.132   2.160
  199   2HG   LYS  28          1HG       LYS  28  -7.098  17.045   0.665
  200   1HD   LYS  28          2HD       LYS  28  -9.701  16.324   2.011
  201   2HD   LYS  28          1HD       LYS  28  -8.967  17.921   1.926
  202   1HE   LYS  28          2HE       LYS  28  -9.188  17.876  -0.535
  203   2HE   LYS  28          1HE       LYS  28  -9.959  16.297  -0.413
  204   1HZ   LYS  28          1HZ       LYS  28 -10.982  18.811   0.747
  205   2HZ   LYS  28          2HZ       LYS  28 -11.733  17.305   0.881
  206   3HZ   LYS  28          3HZ       LYS  28 -11.588  18.049  -0.633
  207    H    THR  29           H        THR  29  -4.822  12.930  -0.931
  208    HA   THR  29           HA       THR  29  -6.667  11.424  -2.533
  209    HB   THR  29           HB       THR  29  -3.754  10.957  -2.204
  210    HG1  THR  29           1HG      THR  29  -5.242  12.839  -3.771
  211   1HG2  THR  29          1HG2      THR  29  -3.918  10.209  -4.564
  212   2HG2  THR  29          2HG2      THR  29  -5.660  10.496  -4.497
  213   3HG2  THR  29          3HG2      THR  29  -4.926   9.273  -3.464
  214    H    LEU  30           H        LEU  30  -6.992   9.303  -2.362
  215    HA   LEU  30           HA       LEU  30  -6.673   8.175   0.284
  216   1HB   LEU  30          2HB       LEU  30  -8.910   8.264  -0.912
  217   2HB   LEU  30          1HB       LEU  30  -8.283   7.124  -2.068
  218    HG   LEU  30           HG       LEU  30  -8.741   6.529   0.874
  219   1HD1  LEU  30          1HD1      LEU  30 -10.365   5.798  -1.540
  220   2HD1  LEU  30          2HD1      LEU  30 -10.805   6.972  -0.300
  221   3HD1  LEU  30          3HD1      LEU  30 -10.654   5.264   0.117
  222   1HD2  LEU  30          1HD2      LEU  30  -7.015   5.096  -0.173
  223   2HD2  LEU  30          2HD2      LEU  30  -8.195   4.665  -1.423
  224   3HD2  LEU  30          3HD2      LEU  30  -8.477   4.203   0.253
  225    H    VAL  31           H        VAL  31  -4.928   6.810   0.565
  226    HA   VAL  31           HA       VAL  31  -3.892   5.434  -1.775
  227    HB   VAL  31           HB       VAL  31  -2.545   7.418  -1.366
  228   1HG1  VAL  31          1HG1      VAL  31  -2.058   6.305   1.379
  229   2HG1  VAL  31          2HG1      VAL  31  -2.951   7.771   0.977
  230   3HG1  VAL  31          3HG1      VAL  31  -1.212   7.686   0.678
  231   1HG2  VAL  31          1HG2      VAL  31  -1.433   5.452  -2.221
  232   2HG2  VAL  31          2HG2      VAL  31  -1.091   4.894  -0.580
  233   3HG2  VAL  31          3HG2      VAL  31  -0.333   6.369  -1.190
  234    H    VAL  32           H        VAL  32  -3.205   3.403  -1.472
  235    HA   VAL  32           HA       VAL  32  -3.192   2.328   1.254
  236    HB   VAL  32           HB       VAL  32  -3.754   0.905  -1.323
  237   1HG1  VAL  32          1HG1      VAL  32  -4.247  -1.079   0.090
  238   2HG1  VAL  32          2HG1      VAL  32  -3.777  -0.155   1.514
  239   3HG1  VAL  32          3HG1      VAL  32  -2.576  -0.541   0.282
  240   1HG2  VAL  32          1HG2      VAL  32  -5.599   1.533   0.975
  241   2HG2  VAL  32          2HG2      VAL  32  -6.028   0.553  -0.427
  242   3HG2  VAL  32          3HG2      VAL  32  -5.638   2.262  -0.629
  243    H    VAL  33           H        VAL  33  -1.272   1.637   1.926
  244    HA   VAL  33           HA       VAL  33   0.844   1.510  -0.098
  245    HB   VAL  33           HB       VAL  33   1.150   2.262   2.814
  246   1HG1  VAL  33          1HG1      VAL  33   3.409   2.954   2.160
  247   2HG1  VAL  33          2HG1      VAL  33   3.105   2.370   0.525
  248   3HG1  VAL  33          3HG1      VAL  33   3.138   1.235   1.874
  249   1HG2  VAL  33          1HG2      VAL  33   1.154   4.031   0.364
  250   2HG2  VAL  33          2HG2      VAL  33   1.524   4.557   2.006
  251   3HG2  VAL  33          3HG2      VAL  33  -0.094   3.984   1.609
  252    H    ASP  34           H        ASP  34   1.931  -0.239  -0.291
  253    HA   ASP  34           HA       ASP  34   1.641  -2.477   1.583
  254   1HB   ASP  34          2HB       ASP  34   1.000  -3.087  -0.602
  255   2HB   ASP  34          1HB       ASP  34   2.332  -2.211  -1.328
  256    H    PHE  35           H        PHE  35   3.378  -2.797   2.965
  257    HA   PHE  35           HA       PHE  35   6.003  -1.945   2.013
  258   1HB   PHE  35          2HB       PHE  35   4.964  -2.585   4.772
  259   2HB   PHE  35          1HB       PHE  35   6.601  -2.127   4.373
  260    HD1  PHE  35           1HD      PHE  35   7.130   0.207   3.835
  261    HD2  PHE  35           2HD      PHE  35   3.177  -0.978   4.868
  262    HE1  PHE  35           1HE      PHE  35   6.533   2.559   4.232
  263    HE2  PHE  35           2HE      PHE  35   2.570   1.374   5.262
  264    HZ   PHE  35           HZ       PHE  35   4.249   3.145   4.945
  265    H    THR  36           H        THR  36   7.045  -3.688   1.149
  266    HA   THR  36           HA       THR  36   7.401  -6.020   2.733
  267    HB   THR  36           HB       THR  36   5.278  -6.530   1.524
  268    HG1  THR  36           1HG      THR  36   6.235  -8.407   0.364
  269   1HG2  THR  36          1HG2      THR  36   5.364  -7.010  -0.890
  270   2HG2  THR  36          2HG2      THR  36   6.994  -6.335  -0.944
  271   3HG2  THR  36          3HG2      THR  36   5.617  -5.310  -0.518
  272    H    ALA  37           H        ALA  37   8.823  -7.586   1.244
  273    HA   ALA  37           HA       ALA  37  10.571  -6.005  -0.475
  274   1HB   ALA  37          1HB       ALA  37  11.680  -6.057   1.720
  275   2HB   ALA  37          2HB       ALA  37  12.582  -6.987   0.523
  276   3HB   ALA  37          3HB       ALA  37  11.595  -7.819   1.721
  277    H    SER  38           H        SER  38  11.423  -7.146  -2.145
  278    HA   SER  38           HA       SER  38   9.865  -9.299  -3.037
  279   1HB   SER  38          2HB       SER  38  10.848  -7.712  -4.594
  280   2HB   SER  38          1HB       SER  38  12.466  -8.250  -4.160
  281    HG   SER  38           HG       SER  38  11.239 -10.434  -4.857
  282    H    TRP  39           H        TRP  39  12.671  -9.423  -1.054
  283    HA   TRP  39           HA       TRP  39  13.410 -12.039  -1.960
  284   1HB   TRP  39          2HB       TRP  39  15.075 -12.028  -0.065
  285   2HB   TRP  39          1HB       TRP  39  15.234 -10.723  -1.213
  286    HD1  TRP  39           HD       TRP  39  15.462  -8.429  -0.243
  287    HE1  TRP  39           1HE      TRP  39  15.207  -7.337   2.084
  288    HE3  TRP  39           3HE      TRP  39  13.399 -12.358   2.287
  289    HZ2  TRP  39           2HZ      TRP  39  14.240  -8.036   4.624
  290    HZ3  TRP  39           3HZ      TRP  39  12.833 -12.055   4.667
  291    HH2  TRP  39           HH       TRP  39  13.250  -9.941   5.803
  292    H    CYS  40           H        CYS  40  10.945 -11.053  -0.050
  293    HA   CYS  40           HA       CYS  40  11.015 -13.420   1.646
  294   1HB   CYS  40          2HB       CYS  40  10.494 -11.410   2.808
  295   2HB   CYS  40          1HB       CYS  40   9.256 -10.960   1.652
  296    H    GLY  41           H        GLY  41   9.879 -15.171   1.201
  297   1HA   GLY  41          2HA       GLY  41   8.647 -15.595  -1.291
  298   2HA   GLY  41          1HA       GLY  41   8.570 -16.681   0.081
  299    HA   PRO  42           HA       PRO  42   4.264 -15.881   0.851
  300   1HB   PRO  42          2HB       PRO  42   4.796 -14.472   3.407
  301   2HB   PRO  42          1HB       PRO  42   3.812 -15.906   3.107
  302   1HG   PRO  42          2HG       PRO  42   6.190 -16.097   4.316
  303   2HG   PRO  42          1HG       PRO  42   5.627 -17.333   3.185
  304   1HD   PRO  42          2HD       PRO  42   7.651 -15.183   2.781
  305   2HD   PRO  42          1HD       PRO  42   7.616 -16.845   2.157
  306    H    CYS  43           H        CYS  43   6.395 -13.280   1.570
  307    HA   CYS  43           HA       CYS  43   4.545 -11.144   1.486
  308   1HB   CYS  43          2HB       CYS  43   7.485 -11.182   0.972
  309   2HB   CYS  43          1HB       CYS  43   6.537  -9.785   1.458
  310    H    ARG  44           H        ARG  44   6.678 -12.682  -0.924
  311    HA   ARG  44           HA       ARG  44   5.990 -10.843  -2.991
  312   1HB   ARG  44          2HB       ARG  44   8.172 -12.045  -2.900
  313   2HB   ARG  44          1HB       ARG  44   7.340 -13.571  -3.067
  314   1HG   ARG  44          2HG       ARG  44   7.347 -11.430  -5.210
  315   2HG   ARG  44          1HG       ARG  44   8.538 -12.722  -5.099
  316   1HD   ARG  44          2HD       ARG  44   6.738 -14.377  -5.338
  317   2HD   ARG  44          1HD       ARG  44   5.563 -13.072  -5.435
  318    HE   ARG  44           HE       ARG  44   7.346 -12.535  -7.415
  319   1HH1  ARG  44          1HH1      ARG  44   5.334 -15.356  -6.602
  320   2HH1  ARG  44          2HH1      ARG  44   5.130 -15.807  -8.239
  321   1HH2  ARG  44          1HH2      ARG  44   7.039 -13.235  -9.653
  322   2HH2  ARG  44          2HH2      ARG  44   6.101 -14.626  -9.956
  323    H    PHE  45           H        PHE  45   4.909 -13.920  -1.830
  324    HA   PHE  45           HA       PHE  45   3.193 -14.752  -3.870
  325   1HB   PHE  45          2HB       PHE  45   3.837 -16.224  -2.066
  326   2HB   PHE  45          1HB       PHE  45   3.085 -15.173  -0.881
  327    HD1  PHE  45           1HD      PHE  45   0.729 -15.325  -0.414
  328    HD2  PHE  45           2HD      PHE  45   2.455 -17.607  -3.573
  329    HE1  PHE  45           1HE      PHE  45  -1.319 -16.663  -0.565
  330    HE2  PHE  45           2HE      PHE  45   0.400 -18.943  -3.725
  331    HZ   PHE  45           HZ       PHE  45  -1.486 -18.474  -2.221
  332    H    ILE  46           H        ILE  46   2.699 -12.375  -1.332
  333    HA   ILE  46           HA       ILE  46  -0.154 -12.294  -1.825
  334    HB   ILE  46           HB       ILE  46   0.903 -12.070   0.489
  335   1HG1  ILE  46          2HG1      ILE  46  -0.667 -10.260   1.245
  336   2HG1  ILE  46          1HG1      ILE  46  -1.013  -9.939  -0.454
  337   1HG2  ILE  46          1HG2      ILE  46   1.647  -9.842   1.183
  338   2HG2  ILE  46          2HG2      ILE  46   1.569  -9.313  -0.498
  339   3HG2  ILE  46          3HG2      ILE  46   2.708 -10.573  -0.020
  340   1HD1  ILE  46          1HD1      ILE  46  -1.444 -12.520   0.986
  341   2HD1  ILE  46          2HD1      ILE  46  -1.860 -12.211  -0.707
  342   3HD1  ILE  46          3HD1      ILE  46  -2.706 -11.357   0.590
  343    H    ALA  47           H        ALA  47   2.628 -10.773  -3.007
  344    HA   ALA  47           HA       ALA  47   1.789  -8.154  -3.447
  345   1HB   ALA  47          1HB       ALA  47   4.137  -8.880  -3.556
  346   2HB   ALA  47          2HB       ALA  47   3.658  -7.908  -4.945
  347   3HB   ALA  47          3HB       ALA  47   3.813  -9.656  -5.107
  348    HA   PRO  48           HA       PRO  48   0.442  -9.524  -8.030
  349   1HB   PRO  48          2HB       PRO  48  -0.687 -12.164  -7.256
  350   2HB   PRO  48          1HB       PRO  48   0.098 -11.673  -8.764
  351   1HG   PRO  48          2HG       PRO  48   1.416 -13.175  -7.050
  352   2HG   PRO  48          1HG       PRO  48   2.230 -11.811  -7.845
  353   1HD   PRO  48          2HD       PRO  48   1.121 -12.003  -5.079
  354   2HD   PRO  48          1HD       PRO  48   2.657 -11.306  -5.626
  355    H    PHE  49           H        PHE  49  -1.149 -10.430  -5.054
  356    HA   PHE  49           HA       PHE  49  -3.793 -10.044  -6.084
  357   1HB   PHE  49          2HB       PHE  49  -3.351 -11.586  -4.197
  358   2HB   PHE  49          1HB       PHE  49  -2.866 -10.220  -3.204
  359    HD1  PHE  49           1HD      PHE  49  -5.714 -11.694  -5.038
  360    HD2  PHE  49           2HD      PHE  49  -4.467  -8.956  -2.034
  361    HE1  PHE  49           1HE      PHE  49  -8.053 -11.389  -4.349
  362    HE2  PHE  49           2HE      PHE  49  -6.802  -8.648  -1.342
  363    HZ   PHE  49           HZ       PHE  49  -8.599  -9.865  -2.503
  364    H    PHE  50           H        PHE  50  -1.404  -8.099  -4.486
  365    HA   PHE  50           HA       PHE  50  -3.132  -5.900  -3.828
  366   1HB   PHE  50          2HB       PHE  50  -0.904  -6.418  -2.734
  367   2HB   PHE  50          1HB       PHE  50  -0.122  -5.923  -4.223
  368    HD1  PHE  50           1HD      PHE  50  -2.234  -4.754  -1.435
  369    HD2  PHE  50           2HD      PHE  50   0.339  -3.645  -4.630
  370    HE1  PHE  50           1HE      PHE  50  -2.166  -2.463  -0.569
  371    HE2  PHE  50           2HE      PHE  50   0.413  -1.340  -3.768
  372    HZ   PHE  50           HZ       PHE  50  -0.837  -0.747  -1.736
  373    H    ALA  51           H        ALA  51  -1.221  -6.809  -6.589
  374    HA   ALA  51           HA       ALA  51  -1.579  -4.390  -8.057
  375   1HB   ALA  51          1HB       ALA  51  -0.892  -5.706 -10.009
  376   2HB   ALA  51          2HB       ALA  51  -1.081  -7.191  -9.079
  377   3HB   ALA  51          3HB       ALA  51   0.162  -6.024  -8.632
  378    H    ASP  52           H        ASP  52  -3.420  -7.304  -7.649
  379    HA   ASP  52           HA       ASP  52  -5.402  -6.931  -9.673
  380   1HB   ASP  52          2HB       ASP  52  -4.933  -9.063  -8.428
  381   2HB   ASP  52          1HB       ASP  52  -5.592  -8.315  -7.018
  382    H    LEU  53           H        LEU  53  -5.221  -6.227  -6.261
  383    HA   LEU  53           HA       LEU  53  -7.625  -5.002  -5.807
  384   1HB   LEU  53          2HB       LEU  53  -4.883  -4.525  -4.739
  385   2HB   LEU  53          1HB       LEU  53  -6.247  -3.746  -4.041
  386    HG   LEU  53           HG       LEU  53  -5.661  -6.673  -4.106
  387   1HD1  LEU  53          1HD1      LEU  53  -5.876  -4.707  -1.823
  388   2HD1  LEU  53          2HD1      LEU  53  -4.378  -5.370  -2.455
  389   3HD1  LEU  53          3HD1      LEU  53  -5.548  -6.428  -1.668
  390   1HD2  LEU  53          1HD2      LEU  53  -8.062  -6.356  -4.370
  391   2HD2  LEU  53          2HD2      LEU  53  -8.082  -5.248  -3.004
  392   3HD2  LEU  53          3HD2      LEU  53  -7.702  -6.951  -2.751
  393    H    ALA  54           H        ALA  54  -4.673  -3.623  -7.112
  394    HA   ALA  54           HA       ALA  54  -5.539  -0.969  -7.233
  395   1HB   ALA  54          1HB       ALA  54  -3.535  -2.354  -9.006
  396   2HB   ALA  54          2HB       ALA  54  -3.190  -1.629  -7.435
  397   3HB   ALA  54          3HB       ALA  54  -3.696  -0.612  -8.785
  398    H    LYS  55           H        LYS  55  -6.068  -3.671  -9.380
  399    HA   LYS  55           HA       LYS  55  -7.069  -2.039 -11.534
  400   1HB   LYS  55          2HB       LYS  55  -5.948  -4.195 -11.962
  401   2HB   LYS  55          1HB       LYS  55  -7.226  -5.029 -11.095
  402   1HG   LYS  55          2HG       LYS  55  -8.845  -4.306 -12.786
  403   2HG   LYS  55          1HG       LYS  55  -7.557  -3.473 -13.657
  404   1HD   LYS  55          2HD       LYS  55  -6.396  -5.604 -13.973
  405   2HD   LYS  55          1HD       LYS  55  -7.686  -6.435 -13.097
  406   1HE   LYS  55          2HE       LYS  55  -9.293  -5.715 -14.792
  407   2HE   LYS  55          1HE       LYS  55  -8.005  -4.886 -15.663
  408   1HZ   LYS  55          1HZ       LYS  55  -8.456  -7.024 -16.641
  409   2HZ   LYS  55          2HZ       LYS  55  -8.195  -7.812 -15.187
  410   3HZ   LYS  55          3HZ       LYS  55  -6.916  -7.056 -15.970
  411    H    LYS  56           H        LYS  56  -8.360  -3.628  -8.752
  412    HA   LYS  56           HA       LYS  56 -11.072  -3.342  -9.742
  413   1HB   LYS  56          2HB       LYS  56 -10.021  -4.669  -7.237
  414   2HB   LYS  56          1HB       LYS  56 -11.716  -4.640  -7.726
  415   1HG   LYS  56          2HG       LYS  56 -11.220  -5.867  -9.742
  416   2HG   LYS  56          1HG       LYS  56  -9.497  -5.794  -9.406
  417   1HD   LYS  56          2HD       LYS  56 -10.346  -7.991  -8.876
  418   2HD   LYS  56          1HD       LYS  56  -9.869  -7.166  -7.399
  419   1HE   LYS  56          2HE       LYS  56 -12.202  -6.659  -6.924
  420   2HE   LYS  56          1HE       LYS  56 -12.686  -7.421  -8.442
  421   1HZ   LYS  56          1HZ       LYS  56 -12.972  -8.933  -6.541
  422   2HZ   LYS  56          2HZ       LYS  56 -11.323  -8.816  -6.195
  423   3HZ   LYS  56          3HZ       LYS  56 -11.815  -9.518  -7.622
  424    H    LEU  57           H        LEU  57  -8.880  -1.580  -7.783
  425    HA   LEU  57           HA       LEU  57 -11.070   0.169  -7.118
  426   1HB   LEU  57          2HB       LEU  57  -8.608  -0.504  -5.559
  427   2HB   LEU  57          1HB       LEU  57  -9.581   0.915  -5.235
  428    HG   LEU  57           HG       LEU  57 -10.660  -1.875  -5.202
  429   1HD1  LEU  57          1HD1      LEU  57  -8.977  -1.651  -3.404
  430   2HD1  LEU  57          2HD1      LEU  57 -10.590  -1.660  -2.696
  431   3HD1  LEU  57          3HD1      LEU  57  -9.717  -0.142  -2.885
  432   1HD2  LEU  57          1HD2      LEU  57 -12.506  -0.861  -3.926
  433   2HD2  LEU  57          2HD2      LEU  57 -12.335  -0.180  -5.540
  434   3HD2  LEU  57          3HD2      LEU  57 -11.753   0.718  -4.139
  435    HA   PRO  58           HA       PRO  58  -8.309   2.171 -10.230
  436   1HB   PRO  58          2HB       PRO  58 -10.304   3.681 -11.303
  437   2HB   PRO  58          1HB       PRO  58  -9.970   2.015 -11.789
  438   1HG   PRO  58          2HG       PRO  58 -12.017   3.035  -9.847
  439   2HG   PRO  58          1HG       PRO  58 -12.213   1.838 -11.143
  440   1HD   PRO  58          2HD       PRO  58 -11.896   1.020  -8.606
  441   2HD   PRO  58          1HD       PRO  58 -11.111   0.183  -9.953
  442    H    ASN  59           H        ASN  59 -10.595   3.654  -7.945
  443    HA   ASN  59           HA       ASN  59  -9.407   6.251  -8.320
  444   1HB   ASN  59          2HB       ASN  59 -11.713   5.292  -6.658
  445   2HB   ASN  59          1HB       ASN  59 -11.152   6.949  -6.716
  446   1HD2  ASN  59          1HD2      ASN  59 -13.738   5.811  -7.454
  447   2HD2  ASN  59          2HD2      ASN  59 -14.025   6.240  -9.086
  448    H    VAL  60           H        VAL  60  -8.420   3.667  -6.778
  449    HA   VAL  60           HA       VAL  60  -7.513   5.140  -4.419
  450    HB   VAL  60           HB       VAL  60  -7.795   2.144  -4.812
  451   1HG1  VAL  60          1HG1      VAL  60  -5.904   2.611  -3.414
  452   2HG1  VAL  60          2HG1      VAL  60  -7.213   1.992  -2.404
  453   3HG1  VAL  60          3HG1      VAL  60  -6.843   3.716  -2.425
  454   1HG2  VAL  60          1HG2      VAL  60  -9.960   3.209  -4.511
  455   2HG2  VAL  60          2HG2      VAL  60  -9.377   4.046  -3.079
  456   3HG2  VAL  60          3HG2      VAL  60  -9.537   2.288  -3.067
  457    H    LEU  61           H        LEU  61  -5.326   5.475  -4.264
  458    HA   LEU  61           HA       LEU  61  -3.729   4.391  -6.378
  459   1HB   LEU  61          2HB       LEU  61  -3.280   6.520  -4.315
  460   2HB   LEU  61          1HB       LEU  61  -2.008   5.914  -5.341
  461    HG   LEU  61           HG       LEU  61  -3.319   6.721  -7.326
  462   1HD1  LEU  61          1HD1      LEU  61  -5.539   6.759  -6.409
  463   2HD1  LEU  61          2HD1      LEU  61  -5.097   8.379  -6.966
  464   3HD1  LEU  61          3HD1      LEU  61  -5.074   7.998  -5.250
  465   1HD2  LEU  61          1HD2      LEU  61  -1.489   8.034  -6.464
  466   2HD2  LEU  61          2HD2      LEU  61  -2.544   8.772  -5.266
  467   3HD2  LEU  61          3HD2      LEU  61  -2.794   9.106  -6.980
  468    H    PHE  62           H        PHE  62  -2.478   2.726  -6.078
  469    HA   PHE  62           HA       PHE  62  -1.907   1.904  -3.331
  470   1HB   PHE  62          2HB       PHE  62  -1.849   0.281  -5.849
  471   2HB   PHE  62          1HB       PHE  62  -1.474  -0.315  -4.260
  472    HD1  PHE  62           1HD      PHE  62  -3.121  -1.056  -2.771
  473    HD2  PHE  62           2HD      PHE  62  -4.273   1.034  -6.283
  474    HE1  PHE  62           1HE      PHE  62  -5.465  -1.641  -2.342
  475    HE2  PHE  62           2HE      PHE  62  -6.620   0.454  -5.861
  476    HZ   PHE  62           HZ       PHE  62  -7.217  -0.884  -3.892
  477    H    LEU  63           H        LEU  63   0.062   1.658  -2.745
  478    HA   LEU  63           HA       LEU  63   2.227   2.097  -4.666
  479   1HB   LEU  63          2HB       LEU  63   1.830   3.525  -2.066
  480   2HB   LEU  63          1HB       LEU  63   3.429   3.284  -2.711
  481    HG   LEU  63           HG       LEU  63   2.745   4.567  -4.738
  482   1HD1  LEU  63          1HD1      LEU  63   0.279   5.204  -3.154
  483   2HD1  LEU  63          2HD1      LEU  63   0.338   4.277  -4.653
  484   3HD1  LEU  63          3HD1      LEU  63   0.764   5.992  -4.654
  485   1HD2  LEU  63          1HD2      LEU  63   2.829   6.757  -3.656
  486   2HD2  LEU  63          2HD2      LEU  63   3.991   5.617  -2.974
  487   3HD2  LEU  63          3HD2      LEU  63   2.499   5.986  -2.104
  488    H    LYS  64           H        LYS  64   4.091   1.031  -4.356
  489    HA   LYS  64           HA       LYS  64   4.072  -0.870  -2.207
  490   1HB   LYS  64          2HB       LYS  64   4.708  -1.075  -5.012
  491   2HB   LYS  64          1HB       LYS  64   5.877  -1.837  -3.933
  492   1HG   LYS  64          2HG       LYS  64   4.088  -3.018  -2.821
  493   2HG   LYS  64          1HG       LYS  64   2.912  -2.241  -3.865
  494   1HD   LYS  64          2HD       LYS  64   3.811  -3.384  -5.771
  495   2HD   LYS  64          1HD       LYS  64   5.112  -4.066  -4.775
  496   1HE   LYS  64          2HE       LYS  64   2.298  -4.329  -4.080
  497   2HE   LYS  64          1HE       LYS  64   3.019  -5.568  -5.166
  498   1HZ   LYS  64          1HZ       LYS  64   3.759  -4.855  -2.334
  499   2HZ   LYS  64          2HZ       LYS  64   4.605  -5.962  -3.240
  500   3HZ   LYS  64          3HZ       LYS  64   3.004  -6.267  -2.802
  501    H    VAL  65           H        VAL  65   5.450  -0.399  -0.703
  502    HA   VAL  65           HA       VAL  65   7.909   1.060  -1.337
  503    HB   VAL  65           HB       VAL  65   6.495   0.612   1.314
  504   1HG1  VAL  65          1HG1      VAL  65   8.945   2.272   0.719
  505   2HG1  VAL  65          2HG1      VAL  65   8.933   0.736   1.582
  506   3HG1  VAL  65          3HG1      VAL  65   8.135   2.144   2.280
  507   1HG2  VAL  65          1HG2      VAL  65   6.066   3.025   1.250
  508   2HG2  VAL  65          2HG2      VAL  65   5.323   2.184  -0.112
  509   3HG2  VAL  65          3HG2      VAL  65   6.805   3.105  -0.348
  510    H    ASP  66           H        ASP  66   9.600  -0.250  -1.530
  511    HA   ASP  66           HA       ASP  66   9.427  -2.907  -0.439
  512   1HB   ASP  66          2HB       ASP  66  10.447  -2.460  -2.680
  513   2HB   ASP  66          1HB       ASP  66  11.752  -1.650  -1.803
  514    H    THR  67           H        THR  67  10.073  -3.396   1.430
  515    HA   THR  67           HA       THR  67  11.200  -1.387   3.092
  516    HB   THR  67           HB       THR  67   9.501  -2.825   4.052
  517    HG1  THR  67           1HG      THR  67  11.884  -2.383   5.140
  518   1HG2  THR  67          1HG2      THR  67   9.938  -5.184   4.572
  519   2HG2  THR  67          2HG2      THR  67  11.485  -5.074   3.734
  520   3HG2  THR  67          3HG2      THR  67   9.980  -4.887   2.833
  521    H    ASP  68           H        ASP  68  12.728  -3.767   1.204
  522    HA   ASP  68           HA       ASP  68  15.035  -3.913   2.957
  523   1HB   ASP  68          2HB       ASP  68  14.395  -5.780   1.408
  524   2HB   ASP  68          1HB       ASP  68  14.796  -4.729   0.065
  525    H    GLU  69           H        GLU  69  13.970  -2.355   0.076
  526    HA   GLU  69           HA       GLU  69  16.343  -0.895  -0.376
  527   1HB   GLU  69          2HB       GLU  69  13.574  -0.787  -1.418
  528   2HB   GLU  69          1HB       GLU  69  14.813   0.329  -1.932
  529   1HG   GLU  69          2HG       GLU  69  16.176  -1.612  -2.678
  530   2HG   GLU  69          1HG       GLU  69  14.857  -2.677  -2.199
  531    H    LEU  70           H        LEU  70  13.017   0.146   0.646
  532    HA   LEU  70           HA       LEU  70  14.178   2.597   1.558
  533   1HB   LEU  70          2HB       LEU  70  11.395   1.589   1.111
  534   2HB   LEU  70          1HB       LEU  70  11.764   3.134   1.835
  535    HG   LEU  70           HG       LEU  70  12.453   2.268  -0.976
  536   1HD1  LEU  70          1HD1      LEU  70  10.460   4.279   0.055
  537   2HD1  LEU  70          2HD1      LEU  70  10.112   2.762  -0.800
  538   3HD1  LEU  70          3HD1      LEU  70  10.921   4.076  -1.631
  539   1HD2  LEU  70          1HD2      LEU  70  13.211   4.587  -1.279
  540   2HD2  LEU  70          2HD2      LEU  70  14.188   3.693  -0.128
  541   3HD2  LEU  70          3HD2      LEU  70  12.997   4.868   0.450
  542    H    LYS  71           H        LYS  71  15.199   0.972   3.021
  543    HA   LYS  71           HA       LYS  71  13.675  -0.219   5.075
  544   1HB   LYS  71          2HB       LYS  71  15.966  -0.887   4.175
  545   2HB   LYS  71          1HB       LYS  71  16.601   0.411   5.173
  546   1HG   LYS  71          2HG       LYS  71  15.685  -0.676   7.158
  547   2HG   LYS  71          1HG       LYS  71  15.033  -1.937   6.099
  548   1HD   LYS  71          2HD       LYS  71  17.286  -2.502   5.353
  549   2HD   LYS  71          1HD       LYS  71  17.947  -1.277   6.438
  550   1HE   LYS  71          2HE       LYS  71  17.031  -2.467   8.351
  551   2HE   LYS  71          1HE       LYS  71  16.330  -3.670   7.269
  552   1HZ   LYS  71          1HZ       LYS  71  18.386  -4.468   8.203
  553   2HZ   LYS  71          2HZ       LYS  71  19.206  -3.113   7.663
  554   3HZ   LYS  71          3HZ       LYS  71  18.593  -4.225   6.542
  555    H    SER  72           H        SER  72  15.282   2.889   4.686
  556    HA   SER  72           HA       SER  72  15.149   3.745   7.352
  557   1HB   SER  72          2HB       SER  72  15.298   6.032   6.309
  558   2HB   SER  72          1HB       SER  72  16.525   4.903   5.729
  559    HG   SER  72           HG       SER  72  15.571   6.030   4.024
  560    H    VAL  73           H        VAL  73  12.914   3.903   4.674
  561    HA   VAL  73           HA       VAL  73  10.818   5.339   5.896
  562    HB   VAL  73           HB       VAL  73  10.705   3.242   3.707
  563   1HG1  VAL  73          1HG1      VAL  73   8.645   5.294   4.500
  564   2HG1  VAL  73          2HG1      VAL  73   8.515   3.549   4.715
  565   3HG1  VAL  73          3HG1      VAL  73   8.551   4.237   3.091
  566   1HG2  VAL  73          1HG2      VAL  73  10.637   5.165   2.180
  567   2HG2  VAL  73          2HG2      VAL  73  12.121   5.139   3.139
  568   3HG2  VAL  73          3HG2      VAL  73  10.815   6.246   3.561
  569    H    ALA  74           H        ALA  74  11.512   1.914   5.584
  570    HA   ALA  74           HA       ALA  74   9.290   0.871   6.904
  571   1HB   ALA  74          1HB       ALA  74  10.653  -1.118   7.274
  572   2HB   ALA  74          2HB       ALA  74  12.099  -0.201   6.866
  573   3HB   ALA  74          3HB       ALA  74  10.868  -0.494   5.639
  574    H    SER  75           H        SER  75  12.468   1.771   8.167
  575    HA   SER  75           HA       SER  75  11.986   1.197  10.853
  576   1HB   SER  75          2HB       SER  75  14.233   1.620   9.903
  577   2HB   SER  75          1HB       SER  75  13.801   3.310   9.650
  578    HG   SER  75           HG       SER  75  13.591   3.532  11.903
  579    H    ASP  76           H        ASP  76  11.327   4.064   8.916
  580    HA   ASP  76           HA       ASP  76  10.646   5.805  11.040
  581   1HB   ASP  76          2HB       ASP  76  11.276   6.611   8.789
  582   2HB   ASP  76          1HB       ASP  76   9.811   5.897   8.130
  583    H    TRP  77           H        TRP  77   8.752   3.606   9.066
  584    HA   TRP  77           HA       TRP  77   6.418   4.399  10.526
  585   1HB   TRP  77          2HB       TRP  77   6.753   2.698   8.110
  586   2HB   TRP  77          1HB       TRP  77   5.198   2.828   8.932
  587    HD1  TRP  77           HD       TRP  77   7.602   4.805   6.714
  588    HE1  TRP  77           1HE      TRP  77   6.416   6.940   5.898
  589    HE3  TRP  77           3HE      TRP  77   3.365   4.541   9.562
  590    HZ2  TRP  77           2HZ      TRP  77   4.015   8.320   6.374
  591    HZ3  TRP  77           3HZ      TRP  77   1.671   6.308   9.316
  592    HH2  TRP  77           HH       TRP  77   1.993   8.160   7.758
  593    H    ALA  78           H        ALA  78   8.802   2.438  11.209
  594    HA   ALA  78           HA       ALA  78   9.170   0.800  12.715
  595   1HB   ALA  78          1HB       ALA  78   7.497   0.345  14.427
  596   2HB   ALA  78          2HB       ALA  78   6.261   1.144  13.456
  597   3HB   ALA  78          3HB       ALA  78   7.600   2.080  14.120
  598    H    ILE  79           H        ILE  79   8.296   0.162  10.036
  599    HA   ILE  79           HA       ILE  79   6.605  -2.144  10.097
  600    HB   ILE  79           HB       ILE  79   8.563  -1.291   7.940
  601   1HG1  ILE  79          2HG1      ILE  79   6.942   0.492   8.385
  602   2HG1  ILE  79          1HG1      ILE  79   6.637  -0.241   6.814
  603   1HG2  ILE  79          1HG2      ILE  79   6.193  -3.154   7.780
  604   2HG2  ILE  79          2HG2      ILE  79   7.891  -3.616   7.695
  605   3HG2  ILE  79          3HG2      ILE  79   7.181  -2.631   6.416
  606   1HD1  ILE  79          1HD1      ILE  79   4.785  -1.510   7.795
  607   2HD1  ILE  79          2HD1      ILE  79   4.574   0.229   7.989
  608   3HD1  ILE  79          3HD1      ILE  79   5.105  -0.753   9.356
  609    H    GLN  80           H        GLN  80   7.333  -3.786  11.286
  610    HA   GLN  80           HA       GLN  80  10.125  -4.674  10.922
  611   1HB   GLN  80          2HB       GLN  80   9.561  -3.853  13.201
  612   2HB   GLN  80          1HB       GLN  80   8.321  -5.084  13.312
  613   1HG   GLN  80          2HG       GLN  80  10.029  -6.821  13.153
  614   2HG   GLN  80          1HG       GLN  80  11.276  -5.582  13.057
  615   1HE2  GLN  80          1HE2      GLN  80  12.272  -6.271  14.915
  616   2HE2  GLN  80          2HE2      GLN  80  11.598  -6.029  16.486
  617    H    ALA  81           H        ALA  81   6.790  -5.512  10.753
  618    HA   ALA  81           HA       ALA  81   7.469  -8.319  10.308
  619   1HB   ALA  81          1HB       ALA  81   5.748  -7.902  12.012
  620   2HB   ALA  81          2HB       ALA  81   5.099  -8.779  10.625
  621   3HB   ALA  81          3HB       ALA  81   4.777  -7.055  10.809
  622    H    MET  82           H        MET  82   6.817  -9.317   8.414
  623    HA   MET  82           HA       MET  82   6.056  -7.448   6.328
  624   1HB   MET  82          2HB       MET  82   7.954  -9.774   6.140
  625   2HB   MET  82          1HB       MET  82   7.437  -8.767   4.817
  626   1HG   MET  82          2HG       MET  82   8.552  -6.857   5.687
  627   2HG   MET  82          1HG       MET  82   8.898  -7.680   7.209
  628   1HE   MET  82          1HE       MET  82   9.139  -9.314   3.663
  629   2HE   MET  82          2HE       MET  82  10.807  -8.976   3.224
  630   3HE   MET  82          3HE       MET  82   9.641  -7.654   3.326
  631    HA   PRO  83           HA       PRO  83   5.241  -7.346   4.659
  632   1HB   PRO  83          2HB       PRO  83   3.104  -7.296   3.017
  633   2HB   PRO  83          1HB       PRO  83   4.536  -8.267   2.661
  634   1HG   PRO  83          2HG       PRO  83   1.870  -9.132   3.592
  635   2HG   PRO  83          1HG       PRO  83   3.087 -10.023   2.665
  636   1HD   PRO  83          2HD       PRO  83   2.561 -10.167   5.477
  637   2HD   PRO  83          1HD       PRO  83   3.820 -11.017   4.564
  638    H    THR  84           H        THR  84   4.125  -5.245   4.912
  639    HA   THR  84           HA       THR  84   1.810  -5.398   6.697
  640    HB   THR  84           HB       THR  84   3.850  -3.274   6.513
  641    HG1  THR  84           1HG      THR  84   4.489  -5.304   7.627
  642   1HG2  THR  84          1HG2      THR  84   1.522  -3.563   8.421
  643   2HG2  THR  84          2HG2      THR  84   1.698  -2.343   7.162
  644   3HG2  THR  84          3HG2      THR  84   2.768  -2.322   8.565
  645    H    PHE  85           H        PHE  85  -0.063  -4.560   5.941
  646    HA   PHE  85           HA       PHE  85   0.045  -2.893   3.566
  647   1HB   PHE  85          2HB       PHE  85  -2.095  -4.638   4.763
  648   2HB   PHE  85          1HB       PHE  85  -2.317  -3.593   3.374
  649    HD1  PHE  85           1HD      PHE  85  -1.238  -4.144   1.245
  650    HD2  PHE  85           2HD      PHE  85  -0.942  -6.720   4.614
  651    HE1  PHE  85           1HE      PHE  85  -0.489  -5.965  -0.221
  652    HE2  PHE  85           2HE      PHE  85  -0.191  -8.549   3.153
  653    HZ   PHE  85           HZ       PHE  85   0.035  -8.166   0.728
  654    H    MET  86           H        MET  86  -0.411  -0.821   3.915
  655    HA   MET  86           HA       MET  86  -1.979  -0.148   6.309
  656   1HB   MET  86          2HB       MET  86   0.303   0.636   6.407
  657   2HB   MET  86          1HB       MET  86   0.098   1.476   4.865
  658   1HG   MET  86          2HG       MET  86  -1.557   2.933   5.904
  659   2HG   MET  86          1HG       MET  86  -1.345   2.109   7.443
  660   1HE   MET  86          1HE       MET  86   0.977   2.144   8.821
  661   2HE   MET  86          2HE       MET  86   2.403   3.022   8.283
  662   3HE   MET  86          3HE       MET  86   1.862   1.604   7.393
  663    H    PHE  87           H        PHE  87  -3.923   0.649   5.926
  664    HA   PHE  87           HA       PHE  87  -4.567   1.533   3.260
  665   1HB   PHE  87          2HB       PHE  87  -6.167   0.513   5.580
  666   2HB   PHE  87          1HB       PHE  87  -6.839   1.074   4.064
  667    HD1  PHE  87           1HD      PHE  87  -4.852  -1.569   5.689
  668    HD2  PHE  87           2HD      PHE  87  -6.824  -0.354   2.118
  669    HE1  PHE  87           1HE      PHE  87  -4.634  -3.848   4.798
  670    HE2  PHE  87           2HE      PHE  87  -6.606  -2.634   1.220
  671    HZ   PHE  87           HZ       PHE  87  -5.509  -4.384   2.563
  672    H    LEU  88           H        LEU  88  -4.723   3.722   3.080
  673    HA   LEU  88           HA       LEU  88  -5.396   5.142   5.515
  674   1HB   LEU  88          2HB       LEU  88  -3.777   6.162   3.158
  675   2HB   LEU  88          1HB       LEU  88  -4.078   7.024   4.645
  676    HG   LEU  88           HG       LEU  88  -2.382   4.543   4.357
  677   1HD1  LEU  88          1HD1      LEU  88  -0.517   6.045   4.845
  678   2HD1  LEU  88          2HD1      LEU  88  -1.621   7.420   4.831
  679   3HD1  LEU  88          3HD1      LEU  88  -1.338   6.498   3.354
  680   1HD2  LEU  88          1HD2      LEU  88  -1.727   4.984   6.652
  681   2HD2  LEU  88          2HD2      LEU  88  -3.463   4.680   6.531
  682   3HD2  LEU  88          3HD2      LEU  88  -2.851   6.336   6.704
  683    H    LYS  89           H        LYS  89  -6.600   7.252   4.926
  684    HA   LYS  89           HA       LYS  89  -7.612   7.343   2.224
  685   1HB   LYS  89          2HB       LYS  89  -9.347   6.137   3.361
  686   2HB   LYS  89          1HB       LYS  89  -9.432   7.382   4.612
  687   1HG   LYS  89          2HG       LYS  89 -10.220   8.981   3.018
  688   2HG   LYS  89          1HG       LYS  89 -10.054   7.828   1.697
  689   1HD   LYS  89          2HD       LYS  89 -11.766   6.417   2.787
  690   2HD   LYS  89          1HD       LYS  89 -11.943   7.645   4.046
  691   1HE   LYS  89          2HE       LYS  89 -12.546   9.293   2.359
  692   2HE   LYS  89          1HE       LYS  89 -12.381   8.080   1.100
  693   1HZ   LYS  89          1HZ       LYS  89 -14.681   8.407   1.721
  694   2HZ   LYS  89          2HZ       LYS  89 -14.350   7.987   3.320
  695   3HZ   LYS  89          3HZ       LYS  89 -14.186   6.848   2.083
  696    H    GLU  90           H        GLU  90  -7.482   9.217   1.403
  697    HA   GLU  90           HA       GLU  90  -7.181  11.302   1.070
  698   1HB   GLU  90          2HB       GLU  90  -8.876  11.593   3.512
  699   2HB   GLU  90          1HB       GLU  90  -8.486  12.954   2.469
  700   1HG   GLU  90          2HG       GLU  90  -9.550  11.719   0.579
  701   2HG   GLU  90          1HG       GLU  90 -10.045  10.473   1.708
  702    H    GLY  91           H        GLY  91  -5.266   9.926   2.751
  703   1HA   GLY  91          2HA       GLY  91  -3.133  10.646   3.437
  704   2HA   GLY  91          1HA       GLY  91  -3.783  12.262   3.659
  705    H    LYS  92           H        LYS  92  -5.840  10.051   5.129
  706    HA   LYS  92           HA       LYS  92  -4.436  10.390   7.696
  707   1HB   LYS  92          2HB       LYS  92  -6.630  11.681   7.322
  708   2HB   LYS  92          1HB       LYS  92  -7.423  10.118   7.295
  709   1HG   LYS  92          2HG       LYS  92  -7.753  10.694   9.468
  710   2HG   LYS  92          1HG       LYS  92  -6.239   9.818   9.609
  711   1HD   LYS  92          2HD       LYS  92  -6.618  12.837   9.598
  712   2HD   LYS  92          1HD       LYS  92  -6.178  11.852  10.972
  713   1HE   LYS  92          2HE       LYS  92  -4.179  12.921  10.332
  714   2HE   LYS  92          1HE       LYS  92  -4.026  11.320   9.633
  715   1HZ   LYS  92          1HZ       LYS  92  -4.876  13.763   8.165
  716   2HZ   LYS  92          2HZ       LYS  92  -4.629  12.265   7.442
  717   3HZ   LYS  92          3HZ       LYS  92  -3.363  13.096   8.106
  718    H    ILE  93           H        ILE  93  -4.512   8.515   9.118
  719    HA   ILE  93           HA       ILE  93  -4.500   6.017   7.719
  720    HB   ILE  93           HB       ILE  93  -4.220   6.585  10.692
  721   1HG1  ILE  93          2HG1      ILE  93  -2.087   6.037   8.615
  722   2HG1  ILE  93          1HG1      ILE  93  -2.425   7.618   9.304
  723   1HG2  ILE  93          1HG2      ILE  93  -3.228   4.337  10.858
  724   2HG2  ILE  93          2HG2      ILE  93  -3.598   4.055   9.159
  725   3HG2  ILE  93          3HG2      ILE  93  -4.909   4.277  10.320
  726   1HD1  ILE  93          1HD1      ILE  93  -1.746   6.754  11.509
  727   2HD1  ILE  93          2HD1      ILE  93  -0.465   6.623  10.307
  728   3HD1  ILE  93          3HD1      ILE  93  -1.392   5.195  10.766
  729    H    LEU  94           H        LEU  94  -6.116   4.582   7.436
  730    HA   LEU  94           HA       LEU  94  -8.508   4.880   9.064
  731   1HB   LEU  94          2HB       LEU  94  -7.978   3.319   6.557
  732   2HB   LEU  94          1HB       LEU  94  -9.454   3.191   7.445
  733    HG   LEU  94           HG       LEU  94  -8.431   5.591   5.939
  734   1HD1  LEU  94          1HD1      LEU  94  -9.391   3.884   4.545
  735   2HD1  LEU  94          2HD1      LEU  94 -10.536   5.230   4.672
  736   3HD1  LEU  94          3HD1      LEU  94 -10.797   3.763   5.596
  737   1HD2  LEU  94          1HD2      LEU  94  -9.520   6.352   8.001
  738   2HD2  LEU  94          2HD2      LEU  94 -10.928   5.355   7.630
  739   3HD2  LEU  94          3HD2      LEU  94 -10.516   6.711   6.590
  740    H    ASP  95           H        ASP  95  -6.344   2.289   7.783
  741    HA   ASP  95           HA       ASP  95  -6.397   0.957  10.214
  742   1HB   ASP  95          2HB       ASP  95  -7.394  -1.125   9.175
  743   2HB   ASP  95          1HB       ASP  95  -8.521   0.073   9.825
  744    H    LYS  96           H        LYS  96  -5.218  -1.060  10.128
  745    HA   LYS  96           HA       LYS  96  -3.382  -1.117   7.867
  746   1HB   LYS  96          2HB       LYS  96  -2.592   0.438   9.689
  747   2HB   LYS  96          1HB       LYS  96  -2.566  -0.963  10.747
  748   1HG   LYS  96          2HG       LYS  96  -0.940  -2.020   9.204
  749   2HG   LYS  96          1HG       LYS  96  -0.993  -0.490   8.300
  750   1HD   LYS  96          2HD       LYS  96   0.975  -0.537   9.823
  751   2HD   LYS  96          1HD       LYS  96  -0.164   0.744  10.238
  752   1HE   LYS  96          2HE       LYS  96  -1.093  -0.676  12.034
  753   2HE   LYS  96          1HE       LYS  96   0.043  -1.951  11.603
  754   1HZ   LYS  96          1HZ       LYS  96   0.808  -0.700  13.491
  755   2HZ   LYS  96          2HZ       LYS  96   0.723   0.743  12.655
  756   3HZ   LYS  96          3HZ       LYS  96   1.860  -0.413  12.219
  757    H    VAL  97           H        VAL  97  -2.699  -3.183   7.465
  758    HA   VAL  97           HA       VAL  97  -3.441  -5.289   9.384
  759    HB   VAL  97           HB       VAL  97  -3.227  -5.488   6.357
  760   1HG1  VAL  97          1HG1      VAL  97  -2.565  -7.567   7.447
  761   2HG1  VAL  97          2HG1      VAL  97  -4.113  -7.761   6.621
  762   3HG1  VAL  97          3HG1      VAL  97  -4.068  -7.574   8.374
  763   1HG2  VAL  97          1HG2      VAL  97  -5.661  -5.590   8.137
  764   2HG2  VAL  97          2HG2      VAL  97  -5.657  -5.853   6.394
  765   3HG2  VAL  97          3HG2      VAL  97  -5.224  -4.274   7.052
  766    H    VAL  98           H        VAL  98  -1.714  -6.237  10.269
  767    HA   VAL  98           HA       VAL  98   0.799  -6.009   8.830
  768    HB   VAL  98           HB       VAL  98   0.777  -4.863  10.989
  769   1HG1  VAL  98          1HG1      VAL  98   0.683  -6.083  13.117
  770   2HG1  VAL  98          2HG1      VAL  98   0.217  -7.542  12.235
  771   3HG1  VAL  98          3HG1      VAL  98  -0.832  -6.124  12.219
  772   1HG2  VAL  98          1HG2      VAL  98   2.541  -7.300  10.988
  773   2HG2  VAL  98          2HG2      VAL  98   2.800  -5.860  11.971
  774   3HG2  VAL  98          3HG2      VAL  98   2.884  -5.754  10.213
  775    H    GLY  99           H        GLY  99   1.547  -7.766   7.903
  776   1HA   GLY  99          2HA       GLY  99   2.365  -9.980   8.036
  777   2HA   GLY  99          1HA       GLY  99   1.095 -10.342   9.205
  778    H    ALA 100           H        ALA 100   1.622 -11.873   6.853
  779    HA   ALA 100           HA       ALA 100  -0.482 -11.086   5.017
  780   1HB   ALA 100          1HB       ALA 100   1.619 -11.943   4.094
  781   2HB   ALA 100          2HB       ALA 100   0.263 -12.990   3.675
  782   3HB   ALA 100          3HB       ALA 100   1.380 -13.461   4.956
  783    H    LYS 101           H        LYS 101  -2.401 -11.462   5.771
  784    HA   LYS 101           HA       LYS 101  -3.077 -14.195   6.522
  785   1HB   LYS 101          2HB       LYS 101  -4.347 -11.594   7.329
  786   2HB   LYS 101          1HB       LYS 101  -4.946 -13.185   7.744
  787   1HG   LYS 101          2HG       LYS 101  -2.968 -13.547   9.158
  788   2HG   LYS 101          1HG       LYS 101  -2.361 -11.941   8.709
  789   1HD   LYS 101          2HD       LYS 101  -4.415 -11.047   9.554
  790   2HD   LYS 101          1HD       LYS 101  -4.829 -12.679  10.088
  791   1HE   LYS 101          2HE       LYS 101  -2.912 -12.721  11.557
  792   2HE   LYS 101          1HE       LYS 101  -2.398 -11.135  10.973
  793   1HZ   LYS 101          1HZ       LYS 101  -4.897 -11.712  12.468
  794   2HZ   LYS 101          2HZ       LYS 101  -4.474 -10.217  11.840
  795   3HZ   LYS 101          3HZ       LYS 101  -3.547 -10.897  13.074
  796    H    LYS 102           H        LYS 102  -4.072 -14.975   4.698
  797    HA   LYS 102           HA       LYS 102  -4.889 -13.325   2.626
  798   1HB   LYS 102          2HB       LYS 102  -4.260 -15.674   2.351
  799   2HB   LYS 102          1HB       LYS 102  -5.712 -16.142   3.236
  800   1HG   LYS 102          2HG       LYS 102  -7.079 -15.101   1.534
  801   2HG   LYS 102          1HG       LYS 102  -5.617 -14.676   0.636
  802   1HD   LYS 102          2HD       LYS 102  -6.539 -17.486   1.280
  803   2HD   LYS 102          1HD       LYS 102  -6.709 -16.688  -0.283
  804   1HE   LYS 102          2HE       LYS 102  -4.246 -16.523  -0.433
  805   2HE   LYS 102          1HE       LYS 102  -4.117 -17.366   1.110
  806   1HZ   LYS 102          1HZ       LYS 102  -5.319 -18.471  -1.363
  807   2HZ   LYS 102          2HZ       LYS 102  -5.195 -19.295   0.092
  808   3HZ   LYS 102          3HZ       LYS 102  -3.805 -18.867  -0.759
  809    H    ASP 103           H        ASP 103  -6.721 -15.007   5.131
  810    HA   ASP 103           HA       ASP 103  -9.268 -14.246   4.162
  811   1HB   ASP 103          2HB       ASP 103  -9.039 -16.196   5.573
  812   2HB   ASP 103          1HB       ASP 103  -8.455 -15.202   6.901
  813    H    GLU 104           H        GLU 104  -7.311 -12.944   6.818
  814    HA   GLU 104           HA       GLU 104  -9.169 -10.932   7.528
  815   1HB   GLU 104          2HB       GLU 104  -7.382 -11.595   9.078
  816   2HB   GLU 104          1HB       GLU 104  -6.180 -10.993   7.949
  817   1HG   GLU 104          2HG       GLU 104  -6.950  -8.727   8.267
  818   2HG   GLU 104          1HG       GLU 104  -8.248  -9.289   9.319
  819    H    LEU 105           H        LEU 105  -6.615 -11.033   5.150
  820    HA   LEU 105           HA       LEU 105  -6.582  -8.308   4.504
  821   1HB   LEU 105          2HB       LEU 105  -5.010 -10.091   3.674
  822   2HB   LEU 105          1HB       LEU 105  -6.279 -10.611   2.628
  823    HG   LEU 105           HG       LEU 105  -6.337  -8.478   1.467
  824   1HD1  LEU 105          1HD1      LEU 105  -3.970  -7.748   3.196
  825   2HD1  LEU 105          2HD1      LEU 105  -5.568  -6.994   3.227
  826   3HD1  LEU 105          3HD1      LEU 105  -4.543  -6.825   1.808
  827   1HD2  LEU 105          1HD2      LEU 105  -4.944 -10.266   0.588
  828   2HD2  LEU 105          2HD2      LEU 105  -3.592  -9.709   1.583
  829   3HD2  LEU 105          3HD2      LEU 105  -4.207  -8.694   0.278
  830    H    GLN 106           H        GLN 106  -8.334 -11.019   3.196
  831    HA   GLN 106           HA       GLN 106  -9.914  -9.632   1.296
  832   1HB   GLN 106          2HB       GLN 106 -10.897 -12.039   2.859
  833   2HB   GLN 106          1HB       GLN 106 -11.511 -11.475   1.321
  834   1HG   GLN 106          2HG       GLN 106  -8.869 -12.793   1.882
  835   2HG   GLN 106          1HG       GLN 106 -10.221 -13.428   0.954
  836   1HE2  GLN 106          1HE2      GLN 106  -7.486 -11.384   0.985
  837   2HE2  GLN 106          2HE2      GLN 106  -7.466 -11.014  -0.708
  838    H    SER 107           H        SER 107 -10.459 -10.227   4.708
  839    HA   SER 107           HA       SER 107 -13.062  -9.134   4.826
  840   1HB   SER 107          2HB       SER 107 -12.166 -10.605   6.596
  841   2HB   SER 107          1HB       SER 107 -10.944  -9.398   6.987
  842    HG   SER 107           HG       SER 107 -13.727  -9.323   7.379
  843    H    THR 108           H        THR 108  -9.866  -7.737   5.222
  844    HA   THR 108           HA       THR 108 -10.799  -5.158   5.918
  845    HB   THR 108           HB       THR 108  -8.115  -5.959   4.748
  846    HG1  THR 108           1HG      THR 108  -8.373  -7.108   6.627
  847   1HG2  THR 108          1HG2      THR 108  -8.550  -3.529   4.715
  848   2HG2  THR 108          2HG2      THR 108  -7.300  -3.933   5.887
  849   3HG2  THR 108          3HG2      THR 108  -8.937  -3.574   6.435
  850    H    ILE 109           H        ILE 109 -10.056  -6.797   2.880
  851    HA   ILE 109           HA       ILE 109 -10.211  -4.489   1.263
  852    HB   ILE 109           HB       ILE 109 -10.796  -7.363   0.479
  853   1HG1  ILE 109          2HG1      ILE 109  -8.528  -7.168   1.325
  854   2HG1  ILE 109          1HG1      ILE 109  -8.482  -7.353  -0.423
  855   1HG2  ILE 109          1HG2      ILE 109 -10.181  -4.963  -1.231
  856   2HG2  ILE 109          2HG2      ILE 109 -11.735  -5.786  -1.111
  857   3HG2  ILE 109          3HG2      ILE 109 -10.350  -6.617  -1.831
  858   1HD1  ILE 109          1HD1      ILE 109  -8.111  -4.942  -0.648
  859   2HD1  ILE 109          2HD1      ILE 109  -6.862  -5.728   0.315
  860   3HD1  ILE 109          3HD1      ILE 109  -8.122  -4.785   1.110
  861    H    ALA 110           H        ALA 110 -12.620  -6.902   2.270
  862    HA   ALA 110           HA       ALA 110 -14.770  -5.787   0.834
  863   1HB   ALA 110          1HB       ALA 110 -14.807  -8.061   1.784
  864   2HB   ALA 110          2HB       ALA 110 -16.195  -7.107   2.309
  865   3HB   ALA 110          3HB       ALA 110 -14.838  -7.369   3.406
  866    H    LYS 111           H        LYS 111 -13.370  -5.015   3.892
  867    HA   LYS 111           HA       LYS 111 -15.313  -3.317   5.009
  868   1HB   LYS 111          2HB       LYS 111 -13.101  -4.127   5.994
  869   2HB   LYS 111          1HB       LYS 111 -12.420  -2.884   4.983
  870   1HG   LYS 111          2HG       LYS 111 -13.689  -1.145   6.122
  871   2HG   LYS 111          1HG       LYS 111 -14.366  -2.364   7.202
  872   1HD   LYS 111          2HD       LYS 111 -12.111  -2.895   8.008
  873   2HD   LYS 111          1HD       LYS 111 -11.446  -1.654   6.945
  874   1HE   LYS 111          2HE       LYS 111 -12.867   0.025   8.112
  875   2HE   LYS 111          1HE       LYS 111 -13.368  -1.235   9.223
  876   1HZ   LYS 111          1HZ       LYS 111 -10.591  -0.277   8.828
  877   2HZ   LYS 111          2HZ       LYS 111 -11.051  -1.530   9.863
  878   3HZ   LYS 111          3HZ       LYS 111 -11.558   0.028  10.180
  879    H    HIS 112           H        HIS 112 -12.663  -2.717   2.780
  880    HA   HIS 112           HA       HIS 112 -13.314   0.066   2.485
  881   1HB   HIS 112          2HB       HIS 112 -11.162  -1.682   1.333
  882   2HB   HIS 112          1HB       HIS 112 -11.385  -0.013   0.858
  883    HD1  HIS 112           1HD      HIS 112 -10.307   1.730   2.357
  884    HD2  HIS 112           2HD      HIS 112 -10.371  -2.014   4.131
  885    HE1  HIS 112           1HE      HIS 112  -8.895   1.923   4.412
  886    HE2  HIS 112           2HE      HIS 112  -8.897  -0.362   5.443
  887    H    LEU 113           H        LEU 113 -14.155  -2.888   0.843
  888    HA   LEU 113           HA       LEU 113 -14.510  -1.860  -1.726
  889   1HB   LEU 113          2HB       LEU 113 -14.322  -4.308  -0.849
  890   2HB   LEU 113          1HB       LEU 113 -16.011  -4.076  -0.471
  891    HG   LEU 113           HG       LEU 113 -14.903  -3.756  -3.127
  892   1HD1  LEU 113          1HD1      LEU 113 -14.507  -6.039  -2.409
  893   2HD1  LEU 113          2HD1      LEU 113 -15.811  -6.068  -3.601
  894   3HD1  LEU 113          3HD1      LEU 113 -16.183  -6.203  -1.875
  895   1HD2  LEU 113          1HD2      LEU 113 -17.249  -4.155  -3.923
  896   2HD2  LEU 113          2HD2      LEU 113 -17.087  -2.719  -2.906
  897   3HD2  LEU 113          3HD2      LEU 113 -17.756  -4.206  -2.235
  898    H    ALA 114           H        ALA 114 -15.901  -0.351  -2.234
  899    HA   ALA 114           HA       ALA 114 -18.650  -0.478  -1.641
  900   1HB   ALA 114          1HB       ALA 114 -18.838   1.653  -0.407
  901   2HB   ALA 114          2HB       ALA 114 -17.083   1.770  -0.326
  902   3HB   ALA 114          3HB       ALA 114 -17.918   0.472   0.524
  Start of MODEL   17
    1    H    MET   1           H        MET   1  -8.686   5.099 -21.184
    2    HA   MET   1           HA       MET   1  -7.795   4.096 -23.714
    3   1HB   MET   1          2HB       MET   1  -7.186   6.340 -24.604
    4   2HB   MET   1          1HB       MET   1  -8.926   6.174 -24.453
    5   1HG   MET   1          2HG       MET   1  -8.893   7.470 -22.395
    6   2HG   MET   1          1HG       MET   1  -7.138   7.591 -22.487
    7   1HE   MET   1          1HE       MET   1  -9.056  10.066 -22.084
    8   2HE   MET   1          2HE       MET   1  -8.308  11.233 -23.174
    9   3HE   MET   1          3HE       MET   1  -7.299  10.172 -22.186
   10    H    ALA   2           H        ALA   2  -5.648   3.630 -23.446
   11    HA   ALA   2           HA       ALA   2  -3.754   3.224 -22.288
   12   1HB   ALA   2          1HB       ALA   2  -2.389   5.194 -21.726
   13   2HB   ALA   2          2HB       ALA   2  -3.807   6.232 -21.868
   14   3HB   ALA   2          3HB       ALA   2  -3.171   5.414 -23.292
   15    H    SER   3           H        SER   3  -5.194   2.128 -20.840
   16    HA   SER   3           HA       SER   3  -6.392   3.116 -18.623
   17   1HB   SER   3          2HB       SER   3  -5.233   0.376 -19.039
   18   2HB   SER   3          1HB       SER   3  -6.512   0.816 -17.902
   19    HG   SER   3           HG       SER   3  -7.864   1.214 -19.502
   20    H    GLU   4           H        GLU   4  -5.367   4.389 -17.218
   21    HA   GLU   4           HA       GLU   4  -2.837   3.551 -16.111
   22   1HB   GLU   4          2HB       GLU   4  -3.359   5.986 -16.637
   23   2HB   GLU   4          1HB       GLU   4  -4.524   5.943 -15.327
   24   1HG   GLU   4          2HG       GLU   4  -2.461   6.958 -14.587
   25   2HG   GLU   4          1HG       GLU   4  -2.709   5.423 -13.752
   26    H    GLU   5           H        GLU   5  -3.616   1.643 -15.259
   27    HA   GLU   5           HA       GLU   5  -4.820   1.883 -12.639
   28   1HB   GLU   5          2HB       GLU   5  -6.486   0.125 -13.114
   29   2HB   GLU   5          1HB       GLU   5  -6.753   1.535 -14.129
   30   1HG   GLU   5          2HG       GLU   5  -5.667   0.387 -16.005
   31   2HG   GLU   5          1HG       GLU   5  -5.420  -1.026 -14.988
   32    H    GLY   6           H        GLY   6  -4.464  -0.110 -11.415
   33   1HA   GLY   6          2HA       GLY   6  -3.376  -2.087 -10.926
   34   2HA   GLY   6          1HA       GLY   6  -2.867  -2.189 -12.606
   35    H    GLN   7           H        GLN   7  -2.249   0.787 -11.202
   36    HA   GLN   7           HA       GLN   7   0.481  -0.011 -11.199
   37   1HB   GLN   7          2HB       GLN   7   1.069   2.409 -11.277
   38   2HB   GLN   7          1HB       GLN   7   0.352   1.677 -12.687
   39   1HG   GLN   7          2HG       GLN   7  -0.632   3.833 -12.534
   40   2HG   GLN   7          1HG       GLN   7  -1.849   2.769 -11.859
   41   1HE2  GLN   7          1HE2      GLN   7  -2.343   2.967  -9.644
   42   2HE2  GLN   7          2HE2      GLN   7  -1.774   4.278  -8.702
   43    H    VAL   8           H        VAL   8   1.784   0.065  -9.811
   44    HA   VAL   8           HA       VAL   8   0.922   0.944  -7.176
   45    HB   VAL   8           HB       VAL   8   1.119  -1.490  -7.605
   46   1HG1  VAL   8          1HG1      VAL   8   3.321  -2.596  -7.505
   47   2HG1  VAL   8          2HG1      VAL   8   4.070  -1.019  -7.734
   48   3HG1  VAL   8          3HG1      VAL   8   3.019  -1.684  -8.984
   49   1HG2  VAL   8          1HG2      VAL   8   1.051  -0.696  -5.366
   50   2HG2  VAL   8          2HG2      VAL   8   2.768  -0.321  -5.390
   51   3HG2  VAL   8          3HG2      VAL   8   2.231  -2.005  -5.433
   52    H    ILE   9           H        ILE   9   2.273   2.334  -6.140
   53    HA   ILE   9           HA       ILE   9   4.466   3.305  -7.756
   54    HB   ILE   9           HB       ILE   9   3.111   4.410  -5.309
   55   1HG1  ILE   9          2HG1      ILE   9   2.985   5.264  -8.208
   56   2HG1  ILE   9          1HG1      ILE   9   1.729   4.393  -7.340
   57   1HG2  ILE   9          1HG2      ILE   9   4.380   6.468  -5.761
   58   2HG2  ILE   9          2HG2      ILE   9   5.241   5.644  -7.063
   59   3HG2  ILE   9          3HG2      ILE   9   5.454   5.119  -5.393
   60   1HD1  ILE   9          1HD1      ILE   9   1.197   6.746  -7.547
   61   2HD1  ILE   9          2HD1      ILE   9   2.707   7.167  -6.734
   62   3HD1  ILE   9          3HD1      ILE   9   1.444   6.309  -5.852
   63    H    ALA  10           H        ALA  10   6.366   2.396  -7.369
   64    HA   ALA  10           HA       ALA  10   6.964   1.440  -4.709
   65   1HB   ALA  10          1HB       ALA  10   7.462  -0.049  -6.593
   66   2HB   ALA  10          2HB       ALA  10   8.944   0.422  -5.764
   67   3HB   ALA  10          3HB       ALA  10   8.512   1.181  -7.295
   68    H    CYS  11           H        CYS  11   7.730   3.043  -3.371
   69    HA   CYS  11           HA       CYS  11   9.282   5.165  -4.521
   70   1HB   CYS  11          2HB       CYS  11   8.463   4.735  -1.652
   71   2HB   CYS  11          1HB       CYS  11   9.139   6.150  -2.382
   72    HG   CYS  11           HG       CYS  11   5.971   4.980  -2.885
   73    H    HIS  12           H        HIS  12  11.389   5.234  -4.371
   74    HA   HIS  12           HA       HIS  12  12.736   3.140  -2.810
   75   1HB   HIS  12          2HB       HIS  12  13.719   4.657  -5.243
   76   2HB   HIS  12          1HB       HIS  12  14.637   3.439  -4.370
   77    HD1  HIS  12           1HD      HIS  12  14.378   1.042  -5.255
   78    HD2  HIS  12           2HD      HIS  12  11.283   3.550  -6.459
   79    HE1  HIS  12           1HE      HIS  12  13.006  -0.286  -6.780
   80    HE2  HIS  12           2HE      HIS  12  11.363   1.326  -7.745
   81    H    THR  13           H        THR  13  11.888   6.255  -2.603
   82    HA   THR  13           HA       THR  13  14.097   6.939  -0.867
   83    HB   THR  13           HB       THR  13  14.221   9.258  -1.916
   84    HG1  THR  13           1HG      THR  13  12.798   7.899  -3.936
   85   1HG2  THR  13          1HG2      THR  13  15.790   8.617  -3.713
   86   2HG2  THR  13          2HG2      THR  13  15.187   6.959  -3.634
   87   3HG2  THR  13          3HG2      THR  13  16.047   7.649  -2.262
   88    H    VAL  14           H        VAL  14  13.512   8.582   0.652
   89    HA   VAL  14           HA       VAL  14  10.754   8.589   1.230
   90    HB   VAL  14           HB       VAL  14  12.474   8.657   3.025
   91   1HG1  VAL  14          1HG1      VAL  14  12.948  11.482   2.139
   92   2HG1  VAL  14          2HG1      VAL  14  14.087  10.141   2.063
   93   3HG1  VAL  14          3HG1      VAL  14  13.556  10.764   3.626
   94   1HG2  VAL  14          1HG2      VAL  14  11.369  10.285   4.506
   95   2HG2  VAL  14          2HG2      VAL  14  10.212   9.319   3.586
   96   3HG2  VAL  14          3HG2      VAL  14  10.550  10.980   3.105
   97    H    GLU  15           H        GLU  15  12.859  10.689  -0.608
   98    HA   GLU  15           HA       GLU  15  11.584  13.059  -0.648
   99   1HB   GLU  15          2HB       GLU  15  13.022  11.438  -2.737
  100   2HB   GLU  15          1HB       GLU  15  12.500  13.085  -2.963
  101   1HG   GLU  15          2HG       GLU  15  14.898  12.926  -2.445
  102   2HG   GLU  15          1HG       GLU  15  14.030  13.852  -1.233
  103    H    THR  16           H        THR  16  11.090  10.160  -2.653
  104    HA   THR  16           HA       THR  16   8.879  11.167  -4.111
  105    HB   THR  16           HB       THR  16   9.682   8.294  -3.590
  106    HG1  THR  16           1HG      THR  16  10.807  10.319  -5.064
  107   1HG2  THR  16          1HG2      THR  16   8.584   7.854  -5.753
  108   2HG2  THR  16          2HG2      THR  16   8.133   9.554  -5.862
  109   3HG2  THR  16          3HG2      THR  16   7.444   8.542  -4.596
  110    H    TRP  17           H        TRP  17   9.252   9.112  -1.273
  111    HA   TRP  17           HA       TRP  17   6.679   8.226  -0.793
  112   1HB   TRP  17          2HB       TRP  17   8.568   7.374   0.447
  113   2HB   TRP  17          1HB       TRP  17   8.900   8.987   1.066
  114    HD1  TRP  17           HD       TRP  17   7.867   9.633   3.314
  115    HE1  TRP  17           1HE      TRP  17   6.285   8.513   4.966
  116    HE3  TRP  17           3HE      TRP  17   6.413   5.673   0.443
  117    HZ2  TRP  17           2HZ      TRP  17   4.615   6.236   5.060
  118    HZ3  TRP  17           3HZ      TRP  17   4.818   4.072   1.391
  119    HH2  TRP  17           HH       TRP  17   3.938   4.351   3.662
  120    H    ASN  18           H        ASN  18   8.213  11.134   0.544
  121    HA   ASN  18           HA       ASN  18   6.000  12.070   1.991
  122   1HB   ASN  18          2HB       ASN  18   8.311  12.819   2.352
  123   2HB   ASN  18          1HB       ASN  18   8.293  13.616   0.793
  124   1HD2  ASN  18          1HD2      ASN  18   8.692  15.591   1.673
  125   2HD2  ASN  18          2HD2      ASN  18   7.533  16.514   2.554
  126    H    GLU  19           H        GLU  19   7.117  12.710  -1.251
  127    HA   GLU  19           HA       GLU  19   5.296  14.766  -1.874
  128   1HB   GLU  19          2HB       GLU  19   7.367  14.416  -3.112
  129   2HB   GLU  19          1HB       GLU  19   6.763  12.881  -3.711
  130   1HG   GLU  19          2HG       GLU  19   5.043  14.002  -4.969
  131   2HG   GLU  19          1HG       GLU  19   5.531  15.559  -4.304
  132    H    GLN  20           H        GLN  20   5.086  11.194  -2.377
  133    HA   GLN  20           HA       GLN  20   2.767  11.235  -3.840
  134   1HB   GLN  20          2HB       GLN  20   3.990   9.277  -2.023
  135   2HB   GLN  20          1HB       GLN  20   2.630   8.896  -3.060
  136   1HG   GLN  20          2HG       GLN  20   5.398   9.740  -3.944
  137   2HG   GLN  20          1HG       GLN  20   4.770   8.101  -4.012
  138   1HE2  GLN  20          1HE2      GLN  20   5.164   8.016  -6.208
  139   2HE2  GLN  20          2HE2      GLN  20   4.190   8.796  -7.383
  140    H    LEU  21           H        LEU  21   3.360  11.085  -0.296
  141    HA   LEU  21           HA       LEU  21   0.724  10.747   0.439
  142   1HB   LEU  21          2HB       LEU  21   3.127  11.891   1.661
  143   2HB   LEU  21          1HB       LEU  21   1.650  11.668   2.548
  144    HG   LEU  21           HG       LEU  21   3.448   9.526   1.375
  145   1HD1  LEU  21          1HD1      LEU  21   2.768  10.190   4.231
  146   2HD1  LEU  21          2HD1      LEU  21   4.299  10.514   3.418
  147   3HD1  LEU  21          3HD1      LEU  21   3.781   8.851   3.698
  148   1HD2  LEU  21          1HD2      LEU  21   1.115   8.820   1.158
  149   2HD2  LEU  21          2HD2      LEU  21   0.836   9.184   2.861
  150   3HD2  LEU  21          3HD2      LEU  21   1.933   7.881   2.408
  151    H    GLN  22           H        GLN  22   2.770  13.556   0.000
  152    HA   GLN  22           HA       GLN  22   0.995  15.534   0.789
  153   1HB   GLN  22          2HB       GLN  22   3.337  16.008   0.298
  154   2HB   GLN  22          1HB       GLN  22   3.092  15.608  -1.392
  155   1HG   GLN  22          2HG       GLN  22   3.251  18.017  -1.043
  156   2HG   GLN  22          1HG       GLN  22   1.672  17.563  -1.670
  157   1HE2  GLN  22          1HE2      GLN  22  -0.125  17.802  -0.365
  158   2HE2  GLN  22          2HE2      GLN  22  -0.097  18.750   1.083
  159    H    LYS  23           H        LYS  23   1.419  14.009  -2.370
  160    HA   LYS  23           HA       LYS  23  -0.586  15.403  -3.749
  161   1HB   LYS  23          2HB       LYS  23   1.103  14.118  -4.929
  162   2HB   LYS  23          1HB       LYS  23   0.516  12.629  -4.203
  163   1HG   LYS  23          2HG       LYS  23  -1.595  12.859  -5.405
  164   2HG   LYS  23          1HG       LYS  23  -1.031  14.370  -6.115
  165   1HD   LYS  23          2HD       LYS  23   0.773  13.193  -7.231
  166   2HD   LYS  23          1HD       LYS  23   0.265  11.675  -6.482
  167   1HE   LYS  23          2HE       LYS  23  -1.867  11.794  -7.643
  168   2HE   LYS  23          1HE       LYS  23  -1.425  13.344  -8.346
  169   1HZ   LYS  23          1HZ       LYS  23  -0.041  10.766  -8.835
  170   2HZ   LYS  23          2HZ       LYS  23   0.398  12.242  -9.491
  171   3HZ   LYS  23          3HZ       LYS  23  -1.082  11.543  -9.921
  172    H    ALA  24           H        ALA  24  -0.715  12.306  -1.942
  173    HA   ALA  24           HA       ALA  24  -3.395  11.721  -2.569
  174   1HB   ALA  24          1HB       ALA  24  -1.801  10.907  -0.135
  175   2HB   ALA  24          2HB       ALA  24  -1.829  10.050  -1.676
  176   3HB   ALA  24          3HB       ALA  24  -3.291  10.148  -0.693
  177    H    ASN  25           H        ASN  25  -1.911  13.442   0.079
  178    HA   ASN  25           HA       ASN  25  -4.120  13.985   1.731
  179   1HB   ASN  25          2HB       ASN  25  -1.672  14.419   2.183
  180   2HB   ASN  25          1HB       ASN  25  -1.800  15.773   1.119
  181   1HD2  ASN  25          1HD2      ASN  25  -1.252  17.249   2.733
  182   2HD2  ASN  25          2HD2      ASN  25  -2.388  17.703   3.944
  183    H    GLU  26           H        GLU  26  -2.586  15.873  -0.692
  184    HA   GLU  26           HA       GLU  26  -4.243  18.143  -0.767
  185   1HB   GLU  26          2HB       GLU  26  -2.020  18.088  -1.750
  186   2HB   GLU  26          1HB       GLU  26  -2.555  16.929  -2.952
  187   1HG   GLU  26          2HG       GLU  26  -4.063  18.639  -3.880
  188   2HG   GLU  26          1HG       GLU  26  -3.445  19.791  -2.697
  189    H    SER  27           H        SER  27  -4.423  15.154  -2.669
  190    HA   SER  27           HA       SER  27  -6.630  16.141  -4.237
  191   1HB   SER  27          2HB       SER  27  -5.344  13.437  -4.157
  192   2HB   SER  27          1HB       SER  27  -6.389  14.076  -5.427
  193    HG   SER  27           HG       SER  27  -3.771  14.642  -4.762
  194    H    LYS  28           H        LYS  28  -6.303  14.726  -1.210
  195    HA   LYS  28           HA       LYS  28  -7.639  13.668   0.259
  196   1HB   LYS  28          2HB       LYS  28  -9.748  14.443  -1.669
  197   2HB   LYS  28          1HB       LYS  28 -10.107  13.825  -0.059
  198   1HG   LYS  28          2HG       LYS  28  -8.889  15.797   0.882
  199   2HG   LYS  28          1HG       LYS  28  -8.708  16.412  -0.758
  200   1HD   LYS  28          2HD       LYS  28 -11.322  15.882   0.653
  201   2HD   LYS  28          1HD       LYS  28 -10.592  17.464   0.404
  202   1HE   LYS  28          2HE       LYS  28 -10.764  17.140  -2.028
  203   2HE   LYS  28          1HE       LYS  28 -11.534  15.577  -1.756
  204   1HZ   LYS  28          1HZ       LYS  28 -13.343  16.739  -0.597
  205   2HZ   LYS  28          2HZ       LYS  28 -13.179  17.283  -2.177
  206   3HZ   LYS  28          3HZ       LYS  28 -12.588  18.215  -0.913
  207    H    THR  29           H        THR  29  -6.364  12.273  -1.752
  208    HA   THR  29           HA       THR  29  -8.147  10.177  -2.624
  209    HB   THR  29           HB       THR  29  -5.205  10.396  -2.996
  210    HG1  THR  29           1HG      THR  29  -6.813  10.992  -5.177
  211   1HG2  THR  29          1HG2      THR  29  -7.332   8.907  -4.519
  212   2HG2  THR  29          2HG2      THR  29  -6.098   8.209  -3.473
  213   3HG2  THR  29          3HG2      THR  29  -5.640   8.986  -4.992
  214    H    LEU  30           H        LEU  30  -7.901   8.177  -1.997
  215    HA   LEU  30           HA       LEU  30  -6.832   7.792   0.606
  216   1HB   LEU  30          2HB       LEU  30  -9.053   6.914   0.078
  217   2HB   LEU  30          1HB       LEU  30  -8.414   5.951  -1.220
  218    HG   LEU  30           HG       LEU  30  -7.799   5.391   1.702
  219   1HD1  LEU  30          1HD1      LEU  30 -10.202   5.301   1.311
  220   2HD1  LEU  30          2HD1      LEU  30  -9.527   3.690   1.558
  221   3HD1  LEU  30          3HD1      LEU  30  -9.940   4.233  -0.070
  222   1HD2  LEU  30          1HD2      LEU  30  -7.274   3.155   0.884
  223   2HD2  LEU  30          2HD2      LEU  30  -6.273   4.352   0.060
  224   3HD2  LEU  30          3HD2      LEU  30  -7.665   3.647  -0.763
  225    H    VAL  31           H        VAL  31  -4.998   6.344   1.055
  226    HA   VAL  31           HA       VAL  31  -3.600   5.377  -1.300
  227    HB   VAL  31           HB       VAL  31  -2.609   7.501  -0.641
  228   1HG1  VAL  31          1HG1      VAL  31  -1.491   7.833   1.501
  229   2HG1  VAL  31          2HG1      VAL  31  -2.081   6.263   2.032
  230   3HG1  VAL  31          3HG1      VAL  31  -3.228   7.566   1.695
  231   1HG2  VAL  31          1HG2      VAL  31  -0.271   6.800  -0.332
  232   2HG2  VAL  31          2HG2      VAL  31  -1.111   5.835  -1.546
  233   3HG2  VAL  31          3HG2      VAL  31  -0.832   5.175   0.065
  234    H    VAL  32           H        VAL  32  -2.711   3.392  -1.130
  235    HA   VAL  32           HA       VAL  32  -2.798   2.066   1.501
  236    HB   VAL  32           HB       VAL  32  -3.191   0.800  -1.177
  237   1HG1  VAL  32          1HG1      VAL  32  -2.166  -0.731   0.413
  238   2HG1  VAL  32          2HG1      VAL  32  -3.833  -1.231   0.111
  239   3HG1  VAL  32          3HG1      VAL  32  -3.425  -0.378   1.599
  240   1HG2  VAL  32          1HG2      VAL  32  -5.540   0.412  -0.496
  241   2HG2  VAL  32          2HG2      VAL  32  -5.137   2.124  -0.628
  242   3HG2  VAL  32          3HG2      VAL  32  -5.241   1.363   0.961
  243    H    VAL  33           H        VAL  33  -0.862   1.511   2.188
  244    HA   VAL  33           HA       VAL  33   1.292   1.287   0.192
  245    HB   VAL  33           HB       VAL  33   1.549   2.025   3.112
  246   1HG1  VAL  33          1HG1      VAL  33   3.849   2.610   2.539
  247   2HG1  VAL  33          2HG1      VAL  33   3.571   2.064   0.887
  248   3HG1  VAL  33          3HG1      VAL  33   3.508   0.911   2.216
  249   1HG2  VAL  33          1HG2      VAL  33   2.051   4.304   2.313
  250   2HG2  VAL  33          2HG2      VAL  33   0.415   3.803   1.896
  251   3HG2  VAL  33          3HG2      VAL  33   1.675   3.802   0.664
  252    H    ASP  34           H        ASP  34   2.309  -0.608   0.044
  253    HA   ASP  34           HA       ASP  34   1.932  -2.622   2.145
  254   1HB   ASP  34          2HB       ASP  34   1.055  -3.402   0.056
  255   2HB   ASP  34          1HB       ASP  34   2.464  -2.830  -0.823
  256    H    PHE  35           H        PHE  35   3.702  -2.714   3.536
  257    HA   PHE  35           HA       PHE  35   6.300  -2.114   2.394
  258   1HB   PHE  35          2HB       PHE  35   5.353  -2.593   5.219
  259   2HB   PHE  35          1HB       PHE  35   7.016  -2.288   4.767
  260    HD1  PHE  35           1HD      PHE  35   3.676  -0.850   5.221
  261    HD2  PHE  35           2HD      PHE  35   7.734  -0.035   4.230
  262    HE1  PHE  35           1HE      PHE  35   3.276   1.550   5.568
  263    HE2  PHE  35           2HE      PHE  35   7.339   2.365   4.564
  264    HZ   PHE  35           HZ       PHE  35   5.109   3.162   5.239
  265    H    THR  36           H        THR  36   7.459  -3.788   1.726
  266    HA   THR  36           HA       THR  36   7.016  -6.402   2.905
  267    HB   THR  36           HB       THR  36   5.242  -6.038   1.186
  268    HG1  THR  36           1HG      THR  36   5.376  -7.947   0.597
  269   1HG2  THR  36          1HG2      THR  36   5.883  -5.963  -1.178
  270   2HG2  THR  36          2HG2      THR  36   7.578  -5.849  -0.710
  271   3HG2  THR  36          3HG2      THR  36   6.460  -4.549  -0.298
  272    H    ALA  37           H        ALA  37   8.433  -7.969   1.556
  273    HA   ALA  37           HA       ALA  37  10.803  -6.651   0.467
  274   1HB   ALA  37          1HB       ALA  37  12.203  -8.369   1.530
  275   2HB   ALA  37          2HB       ALA  37  10.779  -9.025   2.332
  276   3HB   ALA  37          3HB       ALA  37  11.347  -7.406   2.733
  277    H    SER  38           H        SER  38  11.451  -7.545  -1.388
  278    HA   SER  38           HA       SER  38   9.676  -9.316  -2.676
  279   1HB   SER  38          2HB       SER  38  12.413  -8.365  -3.541
  280   2HB   SER  38          1HB       SER  38  11.202  -9.116  -4.588
  281    HG   SER  38           HG       SER  38  11.133  -6.625  -3.268
  282    H    TRP  39           H        TRP  39  12.335  -9.873  -0.658
  283    HA   TRP  39           HA       TRP  39  12.860 -12.498  -1.710
  284   1HB   TRP  39          2HB       TRP  39  14.569 -12.658   0.164
  285   2HB   TRP  39          1HB       TRP  39  14.822 -11.394  -1.017
  286    HD1  TRP  39           HD       TRP  39  15.080  -9.056  -0.149
  287    HE1  TRP  39           1HE      TRP  39  15.032  -7.912   2.175
  288    HE3  TRP  39           3HE      TRP  39  13.205 -12.919   2.593
  289    HZ2  TRP  39           2HZ      TRP  39  14.282  -8.587   4.813
  290    HZ3  TRP  39           3HZ      TRP  39  12.847 -12.595   5.009
  291    HH2  TRP  39           HH       TRP  39  13.373 -10.468   6.087
  292    H    CYS  40           H        CYS  40  10.388 -11.461   0.231
  293    HA   CYS  40           HA       CYS  40  10.479 -14.010   1.618
  294   1HB   CYS  40          2HB       CYS  40   8.648 -13.088   3.155
  295   2HB   CYS  40          1HB       CYS  40  10.246 -12.387   3.327
  296    H    GLY  41           H        GLY  41   9.199 -15.613   1.273
  297   1HA   GLY  41          2HA       GLY  41   7.909 -15.925  -1.134
  298   2HA   GLY  41          1HA       GLY  41   7.696 -16.963   0.257
  299    HA   PRO  42           HA       PRO  42   3.478 -15.782   0.904
  300   1HB   PRO  42          2HB       PRO  42   3.370 -14.296   3.239
  301   2HB   PRO  42          1HB       PRO  42   3.389 -16.060   3.168
  302   1HG   PRO  42          2HG       PRO  42   5.649 -14.159   3.646
  303   2HG   PRO  42          1HG       PRO  42   5.302 -15.705   4.442
  304   1HD   PRO  42          2HD       PRO  42   7.185 -15.527   2.572
  305   2HD   PRO  42          1HD       PRO  42   6.115 -16.947   2.649
  306    H    CYS  43           H        CYS  43   5.733 -13.192   1.324
  307    HA   CYS  43           HA       CYS  43   3.948 -10.994   1.014
  308   1HB   CYS  43          2HB       CYS  43   6.862 -11.056   0.283
  309   2HB   CYS  43          1HB       CYS  43   5.917  -9.697   0.868
  310    H    ARG  44           H        ARG  44   6.059 -12.850  -1.105
  311    HA   ARG  44           HA       ARG  44   5.587 -11.244  -3.403
  312   1HB   ARG  44          2HB       ARG  44   7.623 -12.667  -2.872
  313   2HB   ARG  44          1HB       ARG  44   6.644 -14.062  -3.277
  314   1HG   ARG  44          2HG       ARG  44   8.071 -13.423  -5.119
  315   2HG   ARG  44          1HG       ARG  44   6.371 -13.208  -5.552
  316   1HD   ARG  44          2HD       ARG  44   6.516 -10.841  -5.219
  317   2HD   ARG  44          1HD       ARG  44   8.122 -10.986  -4.508
  318    HE   ARG  44           HE       ARG  44   8.212 -12.051  -7.051
  319   1HH1  ARG  44          1HH1      ARG  44   7.565  -8.845  -5.609
  320   2HH1  ARG  44          2HH1      ARG  44   8.353  -8.013  -6.875
  321   1HH2  ARG  44          1HH2      ARG  44   9.271 -10.823  -8.755
  322   2HH2  ARG  44          2HH2      ARG  44   9.320  -9.119  -8.657
  323    H    PHE  45           H        PHE  45   4.230 -14.056  -1.942
  324    HA   PHE  45           HA       PHE  45   2.618 -14.978  -4.082
  325   1HB   PHE  45          2HB       PHE  45   3.261 -16.418  -2.221
  326   2HB   PHE  45          1HB       PHE  45   2.396 -15.385  -1.097
  327    HD1  PHE  45           1HD      PHE  45   2.004 -17.780  -3.878
  328    HD2  PHE  45           2HD      PHE  45   0.042 -15.673  -0.727
  329    HE1  PHE  45           1HE      PHE  45   0.011 -19.193  -4.169
  330    HE2  PHE  45           2HE      PHE  45  -1.943 -17.076  -1.021
  331    HZ   PHE  45           HZ       PHE  45  -1.963 -18.843  -2.742
  332    H    ILE  46           H        ILE  46   2.150 -12.549  -1.574
  333    HA   ILE  46           HA       ILE  46  -0.699 -12.414  -2.115
  334    HB   ILE  46           HB       ILE  46   0.238 -12.133   0.227
  335   1HG1  ILE  46          2HG1      ILE  46  -1.193 -10.178   0.858
  336   2HG1  ILE  46          1HG1      ILE  46  -1.435  -9.874  -0.863
  337   1HG2  ILE  46          1HG2      ILE  46   1.147  -9.973   0.900
  338   2HG2  ILE  46          2HG2      ILE  46   1.163  -9.464  -0.790
  339   3HG2  ILE  46          3HG2      ILE  46   2.182 -10.803  -0.263
  340   1HD1  ILE  46          1HD1      ILE  46  -2.457 -12.067  -1.099
  341   2HD1  ILE  46          2HD1      ILE  46  -3.288 -11.103   0.138
  342   3HD1  ILE  46          3HD1      ILE  46  -2.140 -12.367   0.608
  343    H    ALA  47           H        ALA  47   2.164 -10.967  -3.216
  344    HA   ALA  47           HA       ALA  47   1.445  -8.402  -3.903
  345   1HB   ALA  47          1HB       ALA  47   3.274  -8.394  -5.484
  346   2HB   ALA  47          2HB       ALA  47   3.319 -10.153  -5.501
  347   3HB   ALA  47          3HB       ALA  47   3.747  -9.274  -4.034
  348    HA   PRO  48           HA       PRO  48  -0.154  -9.973  -8.332
  349   1HB   PRO  48          2HB       PRO  48  -1.321 -12.556  -7.401
  350   2HB   PRO  48          1HB       PRO  48  -0.584 -12.151  -8.956
  351   1HG   PRO  48          2HG       PRO  48   0.764 -13.615  -7.227
  352   2HG   PRO  48          1HG       PRO  48   1.582 -12.320  -8.122
  353   1HD   PRO  48          2HD       PRO  48   0.597 -12.338  -5.298
  354   2HD   PRO  48          1HD       PRO  48   2.125 -11.717  -5.947
  355    H    PHE  49           H        PHE  49  -1.659 -10.854  -5.284
  356    HA   PHE  49           HA       PHE  49  -4.340 -10.337  -6.144
  357   1HB   PHE  49          2HB       PHE  49  -3.813 -11.912  -4.290
  358   2HB   PHE  49          1HB       PHE  49  -3.207 -10.568  -3.335
  359    HD1  PHE  49           1HD      PHE  49  -4.679  -9.238  -2.049
  360    HD2  PHE  49           2HD      PHE  49  -6.243 -11.995  -4.888
  361    HE1  PHE  49           1HE      PHE  49  -6.937  -8.895  -1.134
  362    HE2  PHE  49           2HE      PHE  49  -8.504 -11.654  -3.980
  363    HZ   PHE  49           HZ       PHE  49  -8.852 -10.106  -2.101
  364    H    PHE  50           H        PHE  50  -1.890  -8.589  -4.318
  365    HA   PHE  50           HA       PHE  50  -3.432  -6.225  -3.839
  366   1HB   PHE  50          2HB       PHE  50  -1.362  -6.868  -2.574
  367   2HB   PHE  50          1HB       PHE  50  -0.422  -6.590  -4.029
  368    HD1  PHE  50           1HD      PHE  50   0.471  -4.471  -4.447
  369    HD2  PHE  50           2HD      PHE  50  -2.655  -4.902  -1.595
  370    HE1  PHE  50           1HE      PHE  50   0.786  -2.132  -3.746
  371    HE2  PHE  50           2HE      PHE  50  -2.347  -2.575  -0.898
  372    HZ   PHE  50           HZ       PHE  50  -0.621  -1.182  -1.971
  373    H    ALA  51           H        ALA  51  -1.413  -7.313  -6.465
  374    HA   ALA  51           HA       ALA  51  -1.395  -4.917  -7.955
  375   1HB   ALA  51          1HB       ALA  51  -1.227  -7.757  -8.973
  376   2HB   ALA  51          2HB       ALA  51   0.134  -6.794  -8.409
  377   3HB   ALA  51          3HB       ALA  51  -0.750  -6.307  -9.857
  378    H    ASP  52           H        ASP  52  -3.750  -7.458  -7.592
  379    HA   ASP  52           HA       ASP  52  -5.403  -6.739  -9.831
  380   1HB   ASP  52          2HB       ASP  52  -5.443  -8.967  -8.647
  381   2HB   ASP  52          1HB       ASP  52  -6.205  -8.160  -7.305
  382    H    LEU  53           H        LEU  53  -5.432  -6.221  -6.380
  383    HA   LEU  53           HA       LEU  53  -7.644  -4.614  -6.087
  384   1HB   LEU  53          2HB       LEU  53  -4.982  -4.609  -4.706
  385   2HB   LEU  53          1HB       LEU  53  -6.349  -3.791  -4.062
  386    HG   LEU  53           HG       LEU  53  -5.941  -6.733  -4.354
  387   1HD1  LEU  53          1HD1      LEU  53  -4.789  -5.694  -2.467
  388   2HD1  LEU  53          2HD1      LEU  53  -6.103  -6.724  -1.910
  389   3HD1  LEU  53          3HD1      LEU  53  -6.309  -4.977  -1.932
  390   1HD2  LEU  53          1HD2      LEU  53  -8.124  -7.016  -3.253
  391   2HD2  LEU  53          2HD2      LEU  53  -8.268  -6.280  -4.842
  392   3HD2  LEU  53          3HD2      LEU  53  -8.406  -5.279  -3.392
  393    H    ALA  54           H        ALA  54  -4.312  -3.725  -6.757
  394    HA   ALA  54           HA       ALA  54  -4.652  -0.962  -6.957
  395   1HB   ALA  54          1HB       ALA  54  -2.456  -2.045  -6.773
  396   2HB   ALA  54          2HB       ALA  54  -2.528  -0.967  -8.167
  397   3HB   ALA  54          3HB       ALA  54  -2.651  -2.709  -8.394
  398    H    LYS  55           H        LYS  55  -5.277  -3.518  -9.212
  399    HA   LYS  55           HA       LYS  55  -5.463  -1.768 -11.466
  400   1HB   LYS  55          2HB       LYS  55  -4.781  -4.140 -11.677
  401   2HB   LYS  55          1HB       LYS  55  -6.411  -4.613 -11.219
  402   1HG   LYS  55          2HG       LYS  55  -7.289  -3.410 -13.163
  403   2HG   LYS  55          1HG       LYS  55  -5.639  -3.016 -13.638
  404   1HD   LYS  55          2HD       LYS  55  -5.144  -5.410 -13.807
  405   2HD   LYS  55          1HD       LYS  55  -6.820  -5.774 -13.393
  406   1HE   LYS  55          2HE       LYS  55  -5.863  -4.212 -15.775
  407   2HE   LYS  55          1HE       LYS  55  -6.504  -5.851 -15.803
  408   1HZ   LYS  55          1HZ       LYS  55  -7.987  -3.357 -15.104
  409   2HZ   LYS  55          2HZ       LYS  55  -8.636  -4.901 -14.955
  410   3HZ   LYS  55          3HZ       LYS  55  -8.201  -4.320 -16.468
  411    H    LYS  56           H        LYS  56  -7.715  -3.149  -9.171
  412    HA   LYS  56           HA       LYS  56  -9.963  -2.397 -10.782
  413   1HB   LYS  56          2HB       LYS  56 -10.071  -4.285  -9.173
  414   2HB   LYS  56          1HB       LYS  56  -9.944  -3.126  -7.854
  415   1HG   LYS  56          2HG       LYS  56 -12.037  -2.089  -8.555
  416   2HG   LYS  56          1HG       LYS  56 -12.165  -3.240  -9.881
  417   1HD   LYS  56          2HD       LYS  56 -12.222  -5.074  -8.232
  418   2HD   LYS  56          1HD       LYS  56 -12.181  -3.875  -6.937
  419   1HE   LYS  56          2HE       LYS  56 -14.316  -4.135  -9.050
  420   2HE   LYS  56          1HE       LYS  56 -14.464  -4.649  -7.371
  421   1HZ   LYS  56          1HZ       LYS  56 -14.196  -2.317  -6.701
  422   2HZ   LYS  56          2HZ       LYS  56 -15.517  -2.520  -7.706
  423   3HZ   LYS  56          3HZ       LYS  56 -14.112  -1.841  -8.320
  424    H    LEU  57           H        LEU  57  -8.085  -0.846  -8.258
  425    HA   LEU  57           HA       LEU  57  -9.887   1.401  -8.453
  426   1HB   LEU  57          2HB       LEU  57  -8.045   0.535  -6.268
  427   2HB   LEU  57          1HB       LEU  57  -8.817   2.107  -6.310
  428    HG   LEU  57           HG       LEU  57 -10.314  -0.472  -6.392
  429   1HD1  LEU  57          1HD1      LEU  57 -10.834  -0.035  -3.982
  430   2HD1  LEU  57          2HD1      LEU  57  -9.756   1.357  -4.016
  431   3HD1  LEU  57          3HD1      LEU  57  -9.107  -0.271  -4.228
  432   1HD2  LEU  57          1HD2      LEU  57 -11.198   2.359  -5.856
  433   2HD2  LEU  57          2HD2      LEU  57 -12.224   0.933  -5.718
  434   3HD2  LEU  57          3HD2      LEU  57 -11.560   1.383  -7.283
  435    HA   PRO  58           HA       PRO  58  -6.223   2.763 -10.818
  436   1HB   PRO  58          2HB       PRO  58  -7.579   4.449 -12.403
  437   2HB   PRO  58          1HB       PRO  58  -7.592   2.702 -12.672
  438   1HG   PRO  58          2HG       PRO  58  -9.625   4.411 -11.282
  439   2HG   PRO  58          1HG       PRO  58  -9.890   3.154 -12.504
  440   1HD   PRO  58          2HD       PRO  58 -10.223   2.620  -9.865
  441   2HD   PRO  58          1HD       PRO  58  -9.552   1.437 -10.994
  442    H    ASN  59           H        ASN  59  -8.674   4.727  -9.184
  443    HA   ASN  59           HA       ASN  59  -7.092   7.118  -9.353
  444   1HB   ASN  59          2HB       ASN  59  -8.959   8.135  -8.211
  445   2HB   ASN  59          1HB       ASN  59  -9.531   7.220  -9.600
  446   1HD2  ASN  59          1HD2      ASN  59  -9.537   7.534  -6.165
  447   2HD2  ASN  59          2HD2      ASN  59 -10.713   6.317  -5.847
  448    H    VAL  60           H        VAL  60  -7.071   4.432  -7.437
  449    HA   VAL  60           HA       VAL  60  -6.379   5.908  -5.019
  450    HB   VAL  60           HB       VAL  60  -6.922   2.940  -5.409
  451   1HG1  VAL  60          1HG1      VAL  60  -6.879   2.777  -2.964
  452   2HG1  VAL  60          2HG1      VAL  60  -6.418   4.475  -2.856
  453   3HG1  VAL  60          3HG1      VAL  60  -5.320   3.310  -3.595
  454   1HG2  VAL  60          1HG2      VAL  60  -8.937   4.294  -5.610
  455   2HG2  VAL  60          2HG2      VAL  60  -8.574   5.084  -4.077
  456   3HG2  VAL  60          3HG2      VAL  60  -8.964   3.366  -4.111
  457    H    LEU  61           H        LEU  61  -4.311   5.934  -4.246
  458    HA   LEU  61           HA       LEU  61  -2.330   4.890  -6.014
  459   1HB   LEU  61          2HB       LEU  61  -2.266   6.781  -3.686
  460   2HB   LEU  61          1HB       LEU  61  -0.817   6.145  -4.408
  461    HG   LEU  61           HG       LEU  61  -1.482   7.261  -6.564
  462   1HD1  LEU  61          1HD1      LEU  61  -3.874   7.421  -6.225
  463   2HD1  LEU  61          2HD1      LEU  61  -3.174   9.016  -6.518
  464   3HD1  LEU  61          3HD1      LEU  61  -3.616   8.532  -4.880
  465   1HD2  LEU  61          1HD2      LEU  61  -1.195   9.063  -4.166
  466   2HD2  LEU  61          2HD2      LEU  61  -0.902   9.526  -5.841
  467   3HD2  LEU  61          3HD2      LEU  61   0.118   8.310  -5.074
  468    H    PHE  62           H        PHE  62  -1.626   2.951  -5.673
  469    HA   PHE  62           HA       PHE  62  -1.410   1.959  -2.934
  470   1HB   PHE  62          2HB       PHE  62  -1.192   0.476  -5.547
  471   2HB   PHE  62          1HB       PHE  62  -1.105  -0.241  -3.964
  472    HD1  PHE  62           1HD      PHE  62  -3.031  -0.849  -2.743
  473    HD2  PHE  62           2HD      PHE  62  -3.439   1.473  -6.283
  474    HE1  PHE  62           1HE      PHE  62  -5.460  -1.201  -2.688
  475    HE2  PHE  62           2HE      PHE  62  -5.870   1.125  -6.234
  476    HZ   PHE  62           HZ       PHE  62  -6.885  -0.214  -4.431
  477    H    LEU  63           H        LEU  63   0.542   1.416  -2.216
  478    HA   LEU  63           HA       LEU  63   2.804   2.075  -3.950
  479   1HB   LEU  63          2HB       LEU  63   2.413   2.834  -1.079
  480   2HB   LEU  63          1HB       LEU  63   4.006   2.744  -1.783
  481    HG   LEU  63           HG       LEU  63   3.312   4.481  -3.430
  482   1HD1  LEU  63          1HD1      LEU  63   0.918   4.207  -3.388
  483   2HD1  LEU  63          2HD1      LEU  63   1.356   5.864  -2.970
  484   3HD1  LEU  63          3HD1      LEU  63   0.870   4.731  -1.706
  485   1HD2  LEU  63          1HD2      LEU  63   4.598   5.083  -1.481
  486   2HD2  LEU  63          2HD2      LEU  63   3.127   5.252  -0.526
  487   3HD2  LEU  63          3HD2      LEU  63   3.445   6.362  -1.863
  488    H    LYS  64           H        LYS  64   4.463   0.801  -4.015
  489    HA   LYS  64           HA       LYS  64   4.421  -1.700  -2.415
  490   1HB   LYS  64          2HB       LYS  64   4.343  -1.617  -5.058
  491   2HB   LYS  64          1HB       LYS  64   5.997  -1.101  -4.914
  492   1HG   LYS  64          2HG       LYS  64   4.962  -3.714  -3.822
  493   2HG   LYS  64          1HG       LYS  64   5.695  -3.522  -5.402
  494   1HD   LYS  64          2HD       LYS  64   7.792  -2.813  -4.324
  495   2HD   LYS  64          1HD       LYS  64   7.034  -3.007  -2.738
  496   1HE   LYS  64          2HE       LYS  64   6.639  -5.305  -3.150
  497   2HE   LYS  64          1HE       LYS  64   7.308  -5.207  -4.781
  498   1HZ   LYS  64          1HZ       LYS  64   8.960  -6.154  -3.300
  499   2HZ   LYS  64          2HZ       LYS  64   8.831  -4.887  -2.211
  500   3HZ   LYS  64          3HZ       LYS  64   9.480  -4.630  -3.739
  501    H    VAL  65           H        VAL  65   5.744  -1.412  -0.726
  502    HA   VAL  65           HA       VAL  65   8.144   0.161  -1.244
  503    HB   VAL  65           HB       VAL  65   6.695  -0.269   1.389
  504   1HG1  VAL  65          1HG1      VAL  65   9.193   1.295   0.772
  505   2HG1  VAL  65          2HG1      VAL  65   9.117  -0.198   1.709
  506   3HG1  VAL  65          3HG1      VAL  65   8.369   1.276   2.331
  507   1HG2  VAL  65          1HG2      VAL  65   7.091   2.217  -0.276
  508   2HG2  VAL  65          2HG2      VAL  65   6.315   2.156   1.307
  509   3HG2  VAL  65          3HG2      VAL  65   5.578   1.338  -0.071
  510    H    ASP  66           H        ASP  66   9.816  -1.032  -1.443
  511    HA   ASP  66           HA       ASP  66   9.829  -3.652  -0.189
  512   1HB   ASP  66          2HB       ASP  66  10.500  -3.310  -2.616
  513   2HB   ASP  66          1HB       ASP  66  11.893  -2.450  -1.954
  514    H    THR  67           H        THR  67  11.074  -4.036   1.532
  515    HA   THR  67           HA       THR  67  11.949  -1.733   2.892
  516    HB   THR  67           HB       THR  67  12.561  -3.356   4.714
  517    HG1  THR  67           1HG      THR  67  11.300  -5.486   3.902
  518   1HG2  THR  67          1HG2      THR  67   9.793  -3.631   3.520
  519   2HG2  THR  67          2HG2      THR  67  10.324  -2.327   4.580
  520   3HG2  THR  67          3HG2      THR  67  10.231  -3.977   5.193
  521    H    ASP  68           H        ASP  68  13.636  -3.845   0.785
  522    HA   ASP  68           HA       ASP  68  16.154  -3.135   1.992
  523   1HB   ASP  68          2HB       ASP  68  15.938  -5.229   0.689
  524   2HB   ASP  68          1HB       ASP  68  15.655  -4.267  -0.753
  525    H    GLU  69           H        GLU  69  14.203  -2.242  -0.675
  526    HA   GLU  69           HA       GLU  69  15.850  -0.337  -1.856
  527   1HB   GLU  69          2HB       GLU  69  12.909  -0.761  -1.828
  528   2HB   GLU  69          1HB       GLU  69  13.708   0.413  -2.830
  529   1HG   GLU  69          2HG       GLU  69  14.143  -2.578  -2.913
  530   2HG   GLU  69          1HG       GLU  69  13.219  -1.645  -4.088
  531    H    LEU  70           H        LEU  70  12.949   0.110   0.223
  532    HA   LEU  70           HA       LEU  70  13.978   2.762   0.769
  533   1HB   LEU  70          2HB       LEU  70  11.800   2.649  -0.413
  534   2HB   LEU  70          1HB       LEU  70  11.165   1.700   0.919
  535    HG   LEU  70           HG       LEU  70  11.491   3.517   2.397
  536   1HD1  LEU  70          1HD1      LEU  70  13.358   4.663   1.334
  537   2HD1  LEU  70          2HD1      LEU  70  12.021   5.801   1.481
  538   3HD1  LEU  70          3HD1      LEU  70  12.364   5.039  -0.070
  539   1HD2  LEU  70          1HD2      LEU  70   9.888   4.228  -0.054
  540   2HD2  LEU  70          2HD2      LEU  70   9.720   5.024   1.510
  541   3HD2  LEU  70          3HD2      LEU  70   9.329   3.311   1.347
  542    H    LYS  71           H        LYS  71  15.329   1.543   2.122
  543    HA   LYS  71           HA       LYS  71  14.422  -0.117   4.210
  544   1HB   LYS  71          2HB       LYS  71  16.604  -0.210   3.001
  545   2HB   LYS  71          1HB       LYS  71  17.112   1.199   3.920
  546   1HG   LYS  71          2HG       LYS  71  16.818  -0.090   6.003
  547   2HG   LYS  71          1HG       LYS  71  16.339  -1.471   5.002
  548   1HD   LYS  71          2HD       LYS  71  19.033  -0.099   4.875
  549   2HD   LYS  71          1HD       LYS  71  18.707  -1.618   5.708
  550   1HE   LYS  71          2HE       LYS  71  18.383  -1.131   2.733
  551   2HE   LYS  71          1HE       LYS  71  19.725  -1.970   3.494
  552   1HZ   LYS  71          1HZ       LYS  71  16.885  -2.879   3.569
  553   2HZ   LYS  71          2HZ       LYS  71  18.189  -3.667   4.259
  554   3HZ   LYS  71          3HZ       LYS  71  18.109  -3.512   2.581
  555    H    SER  72           H        SER  72  15.506   3.239   4.077
  556    HA   SER  72           HA       SER  72  15.640   3.674   6.840
  557   1HB   SER  72          2HB       SER  72  15.128   5.660   4.661
  558   2HB   SER  72          1HB       SER  72  15.758   6.014   6.275
  559    HG   SER  72           HG       SER  72  17.024   5.207   4.073
  560    H    VAL  73           H        VAL  73  12.970   4.268   4.561
  561    HA   VAL  73           HA       VAL  73  11.310   5.438   6.554
  562    HB   VAL  73           HB       VAL  73  10.529   4.244   3.865
  563   1HG1  VAL  73          1HG1      VAL  73   8.910   6.011   5.688
  564   2HG1  VAL  73          2HG1      VAL  73   8.605   4.307   5.363
  565   3HG1  VAL  73          3HG1      VAL  73   8.449   5.494   4.066
  566   1HG2  VAL  73          1HG2      VAL  73  12.051   6.134   3.695
  567   2HG2  VAL  73          2HG2      VAL  73  10.986   7.095   4.719
  568   3HG2  VAL  73          3HG2      VAL  73  10.440   6.571   3.126
  569    H    ALA  74           H        ALA  74  11.697   2.175   5.325
  570    HA   ALA  74           HA       ALA  74   9.564   0.982   6.715
  571   1HB   ALA  74          1HB       ALA  74  10.776  -1.120   6.391
  572   2HB   ALA  74          2HB       ALA  74  12.225  -0.218   5.950
  573   3HB   ALA  74          3HB       ALA  74  10.793  -0.144   4.922
  574    H    SER  75           H        SER  75  12.850   1.799   7.647
  575    HA   SER  75           HA       SER  75  12.700   0.540  10.191
  576   1HB   SER  75          2HB       SER  75  14.844   0.910   9.018
  577   2HB   SER  75          1HB       SER  75  14.605   2.650   9.141
  578    HG   SER  75           HG       SER  75  15.895   2.099  10.783
  579    H    ASP  76           H        ASP  76  12.108   3.797   8.935
  580    HA   ASP  76           HA       ASP  76  11.895   5.139  11.415
  581   1HB   ASP  76          2HB       ASP  76  12.232   6.380   9.348
  582   2HB   ASP  76          1HB       ASP  76  10.677   5.835   8.735
  583    H    TRP  77           H        TRP  77   9.513   3.478   9.432
  584    HA   TRP  77           HA       TRP  77   7.424   4.184  11.263
  585   1HB   TRP  77          2HB       TRP  77   7.430   2.662   8.702
  586   2HB   TRP  77          1HB       TRP  77   5.972   2.823   9.681
  587    HD1  TRP  77           HD       TRP  77   8.539   5.120   7.884
  588    HE1  TRP  77           1HE      TRP  77   7.303   7.202   7.041
  589    HE3  TRP  77           3HE      TRP  77   3.908   4.131   9.785
  590    HZ2  TRP  77           2HZ      TRP  77   4.702   8.285   7.148
  591    HZ3  TRP  77           3HZ      TRP  77   2.095   5.745   9.363
  592    HH2  TRP  77           HH       TRP  77   2.493   7.775   8.070
  593    H    ALA  78           H        ALA  78   9.763   2.024  11.319
  594    HA   ALA  78           HA       ALA  78  10.213   0.044  12.220
  595   1HB   ALA  78          1HB       ALA  78   7.939   0.688  14.099
  596   2HB   ALA  78          2HB       ALA  78   9.584   1.303  14.247
  597   3HB   ALA  78          3HB       ALA  78   9.271  -0.428  14.401
  598    H    ILE  79           H        ILE  79   9.547  -0.940  10.269
  599    HA   ILE  79           HA       ILE  79   7.065  -2.464  10.401
  600    HB   ILE  79           HB       ILE  79   9.194  -2.351   8.240
  601   1HG1  ILE  79          2HG1      ILE  79   8.107  -0.172   8.457
  602   2HG1  ILE  79          1HG1      ILE  79   7.608  -0.945   6.962
  603   1HG2  ILE  79          1HG2      ILE  79   7.979  -4.432   8.146
  604   2HG2  ILE  79          2HG2      ILE  79   7.530  -3.412   6.780
  605   3HG2  ILE  79          3HG2      ILE  79   6.441  -3.573   8.157
  606   1HD1  ILE  79          1HD1      ILE  79   5.463  -1.532   7.991
  607   2HD1  ILE  79          2HD1      ILE  79   5.736   0.190   8.035
  608   3HD1  ILE  79          3HD1      ILE  79   5.969  -0.776   9.499
  609    H    GLN  80           H        GLN  80   7.306  -4.096  11.848
  610    HA   GLN  80           HA       GLN  80   9.801  -5.503  11.892
  611   1HB   GLN  80          2HB       GLN  80   9.071  -6.570  13.889
  612   2HB   GLN  80          1HB       GLN  80   8.762  -4.858  14.033
  613   1HG   GLN  80          2HG       GLN  80   6.695  -6.993  13.461
  614   2HG   GLN  80          1HG       GLN  80   6.984  -6.245  15.026
  615   1HE2  GLN  80          1HE2      GLN  80   4.570  -6.380  13.454
  616   2HE2  GLN  80          2HE2      GLN  80   4.092  -4.748  13.162
  617    H    ALA  81           H        ALA  81   6.565  -5.982  10.662
  618    HA   ALA  81           HA       ALA  81   7.437  -8.650   9.874
  619   1HB   ALA  81          1HB       ALA  81   5.208  -9.525  10.224
  620   2HB   ALA  81          2HB       ALA  81   4.661  -7.951  10.808
  621   3HB   ALA  81          3HB       ALA  81   5.855  -8.867  11.726
  622    H    MET  82           H        MET  82   7.257  -9.084   7.829
  623    HA   MET  82           HA       MET  82   5.777  -7.223   6.114
  624   1HB   MET  82          2HB       MET  82   8.197  -8.924   5.551
  625   2HB   MET  82          1HB       MET  82   7.411  -7.872   4.386
  626   1HG   MET  82          2HG       MET  82   8.006  -5.922   5.719
  627   2HG   MET  82          1HG       MET  82   8.719  -6.980   6.939
  628   1HE   MET  82          1HE       MET  82  10.863  -8.431   6.583
  629   2HE   MET  82          2HE       MET  82  11.783  -8.472   5.083
  630   3HE   MET  82          3HE       MET  82  10.179  -9.189   5.142
  631    HA   PRO  83           HA       PRO  83   5.079  -7.160   4.157
  632   1HB   PRO  83          2HB       PRO  83   2.861  -7.338   2.727
  633   2HB   PRO  83          1HB       PRO  83   4.316  -8.212   2.228
  634   1HG   PRO  83          2HG       PRO  83   1.898  -9.236   3.649
  635   2HG   PRO  83          1HG       PRO  83   2.798  -9.975   2.315
  636   1HD   PRO  83          2HD       PRO  83   3.124 -10.627   4.987
  637   2HD   PRO  83          1HD       PRO  83   4.339 -10.906   3.725
  638    H    THR  84           H        THR  84   3.814  -5.333   4.623
  639    HA   THR  84           HA       THR  84   1.517  -5.831   6.313
  640    HB   THR  84           HB       THR  84   3.442  -5.348   7.727
  641    HG1  THR  84           1HG      THR  84   1.566  -4.686   8.594
  642   1HG2  THR  84          1HG2      THR  84   3.534  -2.695   6.345
  643   2HG2  THR  84          2HG2      THR  84   4.782  -3.968   6.400
  644   3HG2  THR  84          3HG2      THR  84   4.347  -3.083   7.863
  645    H    PHE  85           H        PHE  85  -0.209  -4.722   5.715
  646    HA   PHE  85           HA       PHE  85   0.124  -2.849   3.531
  647   1HB   PHE  85          2HB       PHE  85  -2.247  -4.452   4.491
  648   2HB   PHE  85          1HB       PHE  85  -2.203  -3.385   3.105
  649    HD1  PHE  85           1HD      PHE  85  -1.141  -6.618   4.452
  650    HD2  PHE  85           2HD      PHE  85  -1.155  -4.078   1.040
  651    HE1  PHE  85           1HE      PHE  85  -0.459  -8.514   3.039
  652    HE2  PHE  85           2HE      PHE  85  -0.470  -5.967  -0.372
  653    HZ   PHE  85           HZ       PHE  85  -0.122  -8.183   0.624
  654    H    MET  86           H        MET  86  -0.153  -0.836   4.105
  655    HA   MET  86           HA       MET  86  -1.766  -0.227   6.483
  656   1HB   MET  86          2HB       MET  86   0.533   0.457   6.694
  657   2HB   MET  86          1HB       MET  86   0.485   1.308   5.169
  658   1HG   MET  86          2HG       MET  86  -1.187   2.856   6.154
  659   2HG   MET  86          1HG       MET  86  -1.006   2.058   7.705
  660   1HE   MET  86          1HE       MET  86   2.183   1.412   7.615
  661   2HE   MET  86          2HE       MET  86   1.371   2.015   9.063
  662   3HE   MET  86          3HE       MET  86   2.815   2.822   8.458
  663    H    PHE  87           H        PHE  87  -3.641   0.627   6.129
  664    HA   PHE  87           HA       PHE  87  -4.248   1.659   3.518
  665   1HB   PHE  87          2HB       PHE  87  -5.869   0.565   5.787
  666   2HB   PHE  87          1HB       PHE  87  -6.546   1.282   4.345
  667    HD1  PHE  87           1HD      PHE  87  -4.673  -1.587   5.701
  668    HD2  PHE  87           2HD      PHE  87  -6.648   0.029   2.296
  669    HE1  PHE  87           1HE      PHE  87  -4.614  -3.793   4.625
  670    HE2  PHE  87           2HE      PHE  87  -6.591  -2.183   1.214
  671    HZ   PHE  87           HZ       PHE  87  -5.574  -4.094   2.378
  672    H    LEU  88           H        LEU  88  -4.271   3.797   3.452
  673    HA   LEU  88           HA       LEU  88  -4.996   5.161   5.900
  674   1HB   LEU  88          2HB       LEU  88  -3.322   6.237   3.612
  675   2HB   LEU  88          1HB       LEU  88  -3.611   7.028   5.138
  676    HG   LEU  88           HG       LEU  88  -1.963   4.525   4.747
  677   1HD1  LEU  88          1HD1      LEU  88  -1.136   7.366   5.329
  678   2HD1  LEU  88          2HD1      LEU  88  -0.875   6.494   3.819
  679   3HD1  LEU  88          3HD1      LEU  88  -0.064   5.969   5.292
  680   1HD2  LEU  88          1HD2      LEU  88  -2.397   6.242   7.158
  681   2HD2  LEU  88          2HD2      LEU  88  -1.294   4.869   7.050
  682   3HD2  LEU  88          3HD2      LEU  88  -3.040   4.610   6.929
  683    H    LYS  89           H        LYS  89  -6.309   7.151   5.350
  684    HA   LYS  89           HA       LYS  89  -7.244   7.227   2.594
  685   1HB   LYS  89          2HB       LYS  89  -9.011   6.097   3.809
  686   2HB   LYS  89          1HB       LYS  89  -9.021   7.389   5.008
  687   1HG   LYS  89          2HG       LYS  89  -9.840   8.954   3.438
  688   2HG   LYS  89          1HG       LYS  89  -9.672   7.810   2.098
  689   1HD   LYS  89          2HD       LYS  89 -11.400   6.411   3.158
  690   2HD   LYS  89          1HD       LYS  89 -11.542   7.600   4.461
  691   1HE   LYS  89          2HE       LYS  89 -12.252   9.294   2.897
  692   2HE   LYS  89          1HE       LYS  89 -11.984   8.206   1.542
  693   1HZ   LYS  89          1HZ       LYS  89 -13.720   6.789   2.402
  694   2HZ   LYS  89          2HZ       LYS  89 -14.292   8.333   2.066
  695   3HZ   LYS  89          3HZ       LYS  89 -14.017   7.859   3.680
  696    H    GLU  90           H        GLU  90  -6.948   9.056   1.725
  697    HA   GLU  90           HA       GLU  90  -6.681  11.081   1.331
  698   1HB   GLU  90          2HB       GLU  90  -8.044  11.561   3.953
  699   2HB   GLU  90          1HB       GLU  90  -7.745  12.854   2.799
  700   1HG   GLU  90          2HG       GLU  90  -9.197  11.799   1.194
  701   2HG   GLU  90          1HG       GLU  90  -9.412  10.400   2.230
  702    H    GLY  91           H        GLY  91  -4.843   9.530   3.089
  703   1HA   GLY  91          2HA       GLY  91  -2.632   9.980   3.780
  704   2HA   GLY  91          1HA       GLY  91  -3.072  11.669   3.981
  705    H    LYS  92           H        LYS  92  -5.522  10.020   5.454
  706    HA   LYS  92           HA       LYS  92  -4.255  10.269   8.079
  707   1HB   LYS  92          2HB       LYS  92  -7.139  10.071   7.194
  708   2HB   LYS  92          1HB       LYS  92  -6.680   9.810   8.853
  709   1HG   LYS  92          2HG       LYS  92  -7.619  12.021   8.587
  710   2HG   LYS  92          1HG       LYS  92  -5.929  12.158   8.996
  711   1HD   LYS  92          2HD       LYS  92  -6.813  12.335   6.124
  712   2HD   LYS  92          1HD       LYS  92  -7.003  13.718   7.193
  713   1HE   LYS  92          2HE       LYS  92  -4.581  13.640   7.660
  714   2HE   LYS  92          1HE       LYS  92  -4.426  12.294   6.533
  715   1HZ   LYS  92          1HZ       LYS  92  -5.402  15.011   5.821
  716   2HZ   LYS  92          2HZ       LYS  92  -5.172  13.749   4.735
  717   3HZ   LYS  92          3HZ       LYS  92  -3.853  14.446   5.511
  718    H    ILE  93           H        ILE  93  -4.022   8.498   9.423
  719    HA   ILE  93           HA       ILE  93  -3.962   5.916   8.207
  720    HB   ILE  93           HB       ILE  93  -3.610   6.698  11.125
  721   1HG1  ILE  93          2HG1      ILE  93  -1.524   5.993   9.055
  722   2HG1  ILE  93          1HG1      ILE  93  -1.881   7.641   9.533
  723   1HG2  ILE  93          1HG2      ILE  93  -2.566   4.486  11.419
  724   2HG2  ILE  93          2HG2      ILE  93  -2.970   4.082   9.751
  725   3HG2  ILE  93          3HG2      ILE  93  -4.255   4.352  10.927
  726   1HD1  ILE  93          1HD1      ILE  93  -1.140   7.071  11.830
  727   2HD1  ILE  93          2HD1      ILE  93   0.122   6.827  10.623
  728   3HD1  ILE  93          3HD1      ILE  93  -0.759   5.443  11.270
  729    H    LEU  94           H        LEU  94  -5.609   4.556   7.932
  730    HA   LEU  94           HA       LEU  94  -7.855   4.831   9.739
  731   1HB   LEU  94          2HB       LEU  94  -7.605   3.498   7.076
  732   2HB   LEU  94          1HB       LEU  94  -9.002   3.327   8.084
  733    HG   LEU  94           HG       LEU  94  -8.025   5.791   6.666
  734   1HD1  LEU  94          1HD1      LEU  94 -10.248   5.661   5.635
  735   2HD1  LEU  94          2HD1      LEU  94 -10.567   4.182   6.541
  736   3HD1  LEU  94          3HD1      LEU  94  -9.277   4.222   5.337
  737   1HD2  LEU  94          1HD2      LEU  94  -8.765   6.479   8.896
  738   2HD2  LEU  94          2HD2      LEU  94 -10.259   5.571   8.688
  739   3HD2  LEU  94          3HD2      LEU  94  -9.936   6.978   7.673
  740    H    ASP  95           H        ASP  95  -5.895   2.262   8.128
  741    HA   ASP  95           HA       ASP  95  -5.963   0.724  10.460
  742   1HB   ASP  95          2HB       ASP  95  -7.103  -1.182   9.262
  743   2HB   ASP  95          1HB       ASP  95  -8.155   0.029  10.008
  744    H    LYS  96           H        LYS  96  -4.902  -1.328  10.158
  745    HA   LYS  96           HA       LYS  96  -3.193  -1.373   7.814
  746   1HB   LYS  96          2HB       LYS  96  -2.170   0.127   9.537
  747   2HB   LYS  96          1HB       LYS  96  -2.131  -1.256  10.622
  748   1HG   LYS  96          2HG       LYS  96  -0.682  -2.429   9.002
  749   2HG   LYS  96          1HG       LYS  96  -0.766  -0.955   8.018
  750   1HD   LYS  96          2HD       LYS  96   1.335  -1.029   9.331
  751   2HD   LYS  96          1HD       LYS  96   0.309   0.340   9.759
  752   1HE   LYS  96          2HE       LYS  96  -0.502  -0.871  11.721
  753   2HE   LYS  96          1HE       LYS  96   0.490  -2.259  11.278
  754   1HZ   LYS  96          1HZ       LYS  96   2.455  -0.877  11.591
  755   2HZ   LYS  96          2HZ       LYS  96   1.525  -0.918  12.984
  756   3HZ   LYS  96          3HZ       LYS  96   1.487   0.438  11.998
  757    H    VAL  97           H        VAL  97  -2.473  -3.410   7.367
  758    HA   VAL  97           HA       VAL  97  -3.297  -5.580   9.181
  759    HB   VAL  97           HB       VAL  97  -2.981  -5.662   6.158
  760   1HG1  VAL  97          1HG1      VAL  97  -2.461  -7.812   7.185
  761   2HG1  VAL  97          2HG1      VAL  97  -3.971  -7.893   6.283
  762   3HG1  VAL  97          3HG1      VAL  97  -4.004  -7.787   8.042
  763   1HG2  VAL  97          1HG2      VAL  97  -4.948  -4.385   6.803
  764   2HG2  VAL  97          2HG2      VAL  97  -5.492  -5.709   7.831
  765   3HG2  VAL  97          3HG2      VAL  97  -5.421  -5.922   6.082
  766    H    VAL  98           H        VAL  98  -1.613  -6.574  10.068
  767    HA   VAL  98           HA       VAL  98   1.012  -6.401   8.796
  768    HB   VAL  98           HB       VAL  98   0.272  -7.147  11.585
  769   1HG1  VAL  98          1HG1      VAL  98   2.974  -6.598  10.352
  770   2HG1  VAL  98          2HG1      VAL  98   2.380  -8.163  10.908
  771   3HG1  VAL  98          3HG1      VAL  98   2.696  -6.874  12.072
  772   1HG2  VAL  98          1HG2      VAL  98  -0.206  -4.813  11.184
  773   2HG2  VAL  98          2HG2      VAL  98   1.423  -4.563  10.552
  774   3HG2  VAL  98          3HG2      VAL  98   1.189  -4.961  12.254
  775    H    GLY  99           H        GLY  99   1.631  -8.122   7.667
  776   1HA   GLY  99          2HA       GLY  99   2.293 -10.357   7.569
  777   2HA   GLY  99          1HA       GLY  99   1.004 -10.773   8.701
  778    H    ALA 100           H        ALA 100   1.639 -11.796   5.939
  779    HA   ALA 100           HA       ALA 100  -0.572 -10.837   4.374
  780   1HB   ALA 100          1HB       ALA 100   1.152 -13.293   3.987
  781   2HB   ALA 100          2HB       ALA 100   1.454 -11.709   3.271
  782   3HB   ALA 100          3HB       ALA 100   0.021 -12.625   2.813
  783    H    LYS 101           H        LYS 101  -2.480 -11.206   5.118
  784    HA   LYS 101           HA       LYS 101  -3.164 -13.889   5.953
  785   1HB   LYS 101          2HB       LYS 101  -4.221 -11.239   6.895
  786   2HB   LYS 101          1HB       LYS 101  -4.843 -12.811   7.381
  787   1HG   LYS 101          2HG       LYS 101  -2.674 -13.371   8.352
  788   2HG   LYS 101          1HG       LYS 101  -2.055 -11.781   7.883
  789   1HD   LYS 101          2HD       LYS 101  -2.582 -11.858  10.130
  790   2HD   LYS 101          1HD       LYS 101  -3.759 -10.826   9.287
  791   1HE   LYS 101          2HE       LYS 101  -4.881 -12.231  10.965
  792   2HE   LYS 101          1HE       LYS 101  -5.394 -12.689   9.349
  793   1HZ   LYS 101          1HZ       LYS 101  -3.336 -14.088  10.976
  794   2HZ   LYS 101          2HZ       LYS 101  -3.839 -14.570   9.444
  795   3HZ   LYS 101          3HZ       LYS 101  -4.911 -14.623  10.736
  796    H    LYS 102           H        LYS 102  -4.454 -14.699   4.276
  797    HA   LYS 102           HA       LYS 102  -5.279 -12.946   2.279
  798   1HB   LYS 102          2HB       LYS 102  -4.549 -15.245   1.839
  799   2HB   LYS 102          1HB       LYS 102  -5.973 -15.833   2.691
  800   1HG   LYS 102          2HG       LYS 102  -7.414 -14.868   1.065
  801   2HG   LYS 102          1HG       LYS 102  -6.039 -14.121   0.245
  802   1HD   LYS 102          2HD       LYS 102  -6.751 -16.117  -0.984
  803   2HD   LYS 102          1HD       LYS 102  -5.158 -16.378  -0.279
  804   1HE   LYS 102          2HE       LYS 102  -6.183 -17.636   1.557
  805   2HE   LYS 102          1HE       LYS 102  -7.777 -17.345   0.857
  806   1HZ   LYS 102          1HZ       LYS 102  -6.970 -19.527   0.301
  807   2HZ   LYS 102          2HZ       LYS 102  -5.586 -18.892  -0.430
  808   3HZ   LYS 102          3HZ       LYS 102  -7.106 -18.585  -1.081
  809    H    ASP 103           H        ASP 103  -7.036 -14.692   4.803
  810    HA   ASP 103           HA       ASP 103  -9.587 -13.802   3.867
  811   1HB   ASP 103          2HB       ASP 103  -9.345 -15.872   5.225
  812   2HB   ASP 103          1HB       ASP 103  -8.922 -14.875   6.611
  813    H    GLU 104           H        GLU 104  -7.527 -12.793   6.577
  814    HA   GLU 104           HA       GLU 104  -9.322 -10.801   7.455
  815   1HB   GLU 104          2HB       GLU 104  -7.543 -11.724   8.929
  816   2HB   GLU 104          1HB       GLU 104  -6.332 -10.904   7.954
  817   1HG   GLU 104          2HG       GLU 104  -7.276  -8.738   8.579
  818   2HG   GLU 104          1HG       GLU 104  -8.519  -9.549   9.525
  819    H    LEU 105           H        LEU 105  -6.833 -10.753   4.984
  820    HA   LEU 105           HA       LEU 105  -6.686  -7.958   4.663
  821   1HB   LEU 105          2HB       LEU 105  -5.215  -9.695   3.566
  822   2HB   LEU 105          1HB       LEU 105  -6.543 -10.035   2.512
  823    HG   LEU 105           HG       LEU 105  -6.530  -7.787   1.605
  824   1HD1  LEU 105          1HD1      LEU 105  -4.658  -6.251   2.092
  825   2HD1  LEU 105          2HD1      LEU 105  -4.106  -7.353   3.357
  826   3HD1  LEU 105          3HD1      LEU 105  -5.664  -6.547   3.508
  827   1HD2  LEU 105          1HD2      LEU 105  -4.429  -7.939   0.347
  828   2HD2  LEU 105          2HD2      LEU 105  -5.224  -9.508   0.487
  829   3HD2  LEU 105          3HD2      LEU 105  -3.832  -9.129   1.505
  830    H    GLN 106           H        GLN 106  -8.574 -10.408   3.051
  831    HA   GLN 106           HA       GLN 106 -10.202  -8.700   1.522
  832   1HB   GLN 106          2HB       GLN 106 -10.865 -11.449   2.583
  833   2HB   GLN 106          1HB       GLN 106 -11.810 -10.600   1.367
  834   1HG   GLN 106          2HG       GLN 106  -9.875 -10.586  -0.121
  835   2HG   GLN 106          1HG       GLN 106  -8.934 -11.439   1.098
  836   1HE2  GLN 106          1HE2      GLN 106  -8.562 -13.160  -0.227
  837   2HE2  GLN 106          2HE2      GLN 106  -9.779 -14.310  -0.665
  838    H    SER 107           H        SER 107 -10.577  -9.803   4.801
  839    HA   SER 107           HA       SER 107 -13.164  -8.724   5.243
  840   1HB   SER 107          2HB       SER 107 -10.925  -9.126   7.251
  841   2HB   SER 107          1HB       SER 107 -12.629  -8.908   7.644
  842    HG   SER 107           HG       SER 107 -12.071 -10.929   5.833
  843    H    THR 108           H        THR 108  -9.934  -7.387   5.478
  844    HA   THR 108           HA       THR 108 -10.725  -4.873   6.515
  845    HB   THR 108           HB       THR 108  -8.194  -5.643   5.021
  846    HG1  THR 108           1HG      THR 108  -8.353  -6.936   6.844
  847   1HG2  THR 108          1HG2      THR 108  -8.534  -3.202   5.223
  848   2HG2  THR 108          2HG2      THR 108  -7.193  -3.741   6.231
  849   3HG2  THR 108          3HG2      THR 108  -8.757  -3.381   6.963
  850    H    ILE 109           H        ILE 109 -10.339  -6.224   3.308
  851    HA   ILE 109           HA       ILE 109 -10.654  -3.824   1.863
  852    HB   ILE 109           HB       ILE 109 -11.438  -6.650   1.057
  853   1HG1  ILE 109          2HG1      ILE 109  -8.935  -5.055   0.450
  854   2HG1  ILE 109          1HG1      ILE 109  -9.039  -6.386   1.593
  855   1HG2  ILE 109          1HG2      ILE 109 -11.352  -5.821  -1.249
  856   2HG2  ILE 109          2HG2      ILE 109 -11.044  -4.193  -0.652
  857   3HG2  ILE 109          3HG2      ILE 109 -12.588  -4.981  -0.309
  858   1HD1  ILE 109          1HD1      ILE 109  -8.032  -7.089  -0.493
  859   2HD1  ILE 109          2HD1      ILE 109  -9.455  -6.556  -1.383
  860   3HD1  ILE 109          3HD1      ILE 109  -9.576  -7.909  -0.263
  861    H    ALA 110           H        ALA 110 -12.976  -6.301   2.917
  862    HA   ALA 110           HA       ALA 110 -15.321  -5.054   2.030
  863   1HB   ALA 110          1HB       ALA 110 -14.960  -6.845   4.437
  864   2HB   ALA 110          2HB       ALA 110 -15.209  -7.397   2.782
  865   3HB   ALA 110          3HB       ALA 110 -16.483  -6.511   3.615
  866    H    LYS 111           H        LYS 111 -13.468  -4.633   4.935
  867    HA   LYS 111           HA       LYS 111 -15.100  -2.979   6.494
  868   1HB   LYS 111          2HB       LYS 111 -12.872  -3.992   7.053
  869   2HB   LYS 111          1HB       LYS 111 -12.220  -2.783   5.994
  870   1HG   LYS 111          2HG       LYS 111 -12.902  -0.983   7.429
  871   2HG   LYS 111          1HG       LYS 111 -13.694  -2.112   8.532
  872   1HD   LYS 111          2HD       LYS 111 -11.550  -3.183   9.001
  873   2HD   LYS 111          1HD       LYS 111 -10.742  -2.087   7.881
  874   1HE   LYS 111          2HE       LYS 111 -10.399  -1.356  10.166
  875   2HE   LYS 111          1HE       LYS 111 -11.398  -0.199   9.291
  876   1HZ   LYS 111          1HZ       LYS 111 -13.348  -1.096  10.364
  877   2HZ   LYS 111          2HZ       LYS 111 -12.226  -0.629  11.528
  878   3HZ   LYS 111          3HZ       LYS 111 -12.422  -2.258  11.167
  879    H    HIS 112           H        HIS 112 -12.810  -2.219   3.965
  880    HA   HIS 112           HA       HIS 112 -13.338   0.573   3.991
  881   1HB   HIS 112          2HB       HIS 112 -11.737  -1.211   2.217
  882   2HB   HIS 112          1HB       HIS 112 -12.016   0.463   1.794
  883    HD1  HIS 112           1HD      HIS 112 -10.712   2.205   3.079
  884    HD2  HIS 112           2HD      HIS 112 -10.056  -1.631   4.481
  885    HE1  HIS 112           1HE      HIS 112  -8.677   2.353   4.590
  886    HE2  HIS 112           2HE      HIS 112  -8.531   0.045   5.627
  887    H    LEU 113           H        LEU 113 -14.836  -2.170   2.262
  888    HA   LEU 113           HA       LEU 113 -15.874  -0.555   0.244
  889   1HB   LEU 113          2HB       LEU 113 -16.168  -3.338   1.155
  890   2HB   LEU 113          1HB       LEU 113 -17.028  -2.700  -0.205
  891    HG   LEU 113           HG       LEU 113 -14.126  -2.958   0.101
  892   1HD1  LEU 113          1HD1      LEU 113 -16.097  -4.369  -1.687
  893   2HD1  LEU 113          2HD1      LEU 113 -15.236  -5.078  -0.316
  894   3HD1  LEU 113          3HD1      LEU 113 -14.349  -4.598  -1.771
  895   1HD2  LEU 113          1HD2      LEU 113 -15.694  -1.867  -2.233
  896   2HD2  LEU 113          2HD2      LEU 113 -13.979  -2.258  -2.280
  897   3HD2  LEU 113          3HD2      LEU 113 -14.551  -0.981  -1.217
  898    H    ALA 114           H        ALA 114 -16.516  -0.159   3.109
  899    HA   ALA 114           HA       ALA 114 -19.428  -0.047   2.773
  900   1HB   ALA 114          1HB       ALA 114 -18.923  -1.779   4.415
  901   2HB   ALA 114          2HB       ALA 114 -19.680  -0.398   5.219
  902   3HB   ALA 114          3HB       ALA 114 -17.936  -0.647   5.334
  Start of MODEL   18
    1    H    MET   1           H        MET   1 -13.214   9.788 -20.923
    2    HA   MET   1           HA       MET   1 -10.488  10.647 -20.868
    3   1HB   MET   1          2HB       MET   1 -12.093  11.501 -19.215
    4   2HB   MET   1          1HB       MET   1 -12.286   9.880 -18.565
    5   1HG   MET   1          2HG       MET   1  -9.933   9.857 -17.911
    6   2HG   MET   1          1HG       MET   1  -9.735  11.480 -18.559
    7   1HE   MET   1          1HE       MET   1  -9.490  12.078 -14.721
    8   2HE   MET   1          2HE       MET   1  -8.720  12.308 -16.291
    9   3HE   MET   1          3HE       MET   1  -8.887  10.688 -15.619
   10    H    ALA   2           H        ALA   2  -8.954   9.261 -21.328
   11    HA   ALA   2           HA       ALA   2  -9.106   6.521 -20.605
   12   1HB   ALA   2          1HB       ALA   2  -6.830   6.391 -21.522
   13   2HB   ALA   2          2HB       ALA   2  -6.783   8.148 -21.658
   14   3HB   ALA   2          3HB       ALA   2  -7.923   7.220 -22.630
   15    H    SER   3           H        SER   3  -8.739   5.816 -18.703
   16    HA   SER   3           HA       SER   3  -7.449   7.480 -16.686
   17   1HB   SER   3          2HB       SER   3  -9.015   4.913 -16.450
   18   2HB   SER   3          1HB       SER   3  -8.532   5.976 -15.126
   19    HG   SER   3           HG       SER   3 -10.520   6.239 -17.006
   20    H    GLU   4           H        GLU   4  -6.694   5.318 -14.938
   21    HA   GLU   4           HA       GLU   4  -4.462   4.204 -16.482
   22   1HB   GLU   4          2HB       GLU   4  -3.762   6.124 -15.047
   23   2HB   GLU   4          1HB       GLU   4  -4.331   5.250 -13.640
   24   1HG   GLU   4          2HG       GLU   4  -1.931   5.088 -13.801
   25   2HG   GLU   4          1HG       GLU   4  -2.652   3.504 -14.063
   26    H    GLU   5           H        GLU   5  -5.599   3.832 -13.104
   27    HA   GLU   5           HA       GLU   5  -6.171   2.120 -11.822
   28   1HB   GLU   5          2HB       GLU   5  -7.097   0.846 -14.394
   29   2HB   GLU   5          1HB       GLU   5  -7.342   0.126 -12.818
   30   1HG   GLU   5          2HG       GLU   5  -9.362   1.193 -13.477
   31   2HG   GLU   5          1HG       GLU   5  -8.647   2.139 -12.180
   32    H    GLY   6           H        GLY   6  -5.320   0.404 -10.789
   33   1HA   GLY   6          2HA       GLY   6  -4.080  -1.519 -10.536
   34   2HA   GLY   6          1HA       GLY   6  -3.717  -1.488 -12.250
   35    H    GLN   7           H        GLN   7  -3.105   1.428 -10.540
   36    HA   GLN   7           HA       GLN   7  -0.345   0.793 -11.004
   37   1HB   GLN   7          2HB       GLN   7   0.137   3.157 -10.610
   38   2HB   GLN   7          1HB       GLN   7  -0.815   2.738 -12.023
   39   1HG   GLN   7          2HG       GLN   7  -2.838   3.503 -10.838
   40   2HG   GLN   7          1HG       GLN   7  -1.870   3.845  -9.406
   41   1HE2  GLN   7          1HE2      GLN   7  -3.532   5.615 -11.005
   42   2HE2  GLN   7          2HE2      GLN   7  -2.474   6.895 -11.511
   43    H    VAL   8           H        VAL   8   0.978   0.486  -9.774
   44    HA   VAL   8           HA       VAL   8   0.706   1.056  -6.896
   45    HB   VAL   8           HB       VAL   8   2.195  -1.262  -8.168
   46   1HG1  VAL   8          1HG1      VAL   8   1.752  -0.585  -5.259
   47   2HG1  VAL   8          2HG1      VAL   8   3.282  -0.498  -6.134
   48   3HG1  VAL   8          3HG1      VAL   8   2.514  -2.062  -5.852
   49   1HG2  VAL   8          1HG2      VAL   8  -0.364  -1.287  -6.560
   50   2HG2  VAL   8          2HG2      VAL   8   0.510  -2.718  -7.104
   51   3HG2  VAL   8          3HG2      VAL   8  -0.212  -1.624  -8.282
   52    H    ILE   9           H        ILE   9   2.143   2.613  -6.372
   53    HA   ILE   9           HA       ILE   9   4.405   2.972  -8.153
   54    HB   ILE   9           HB       ILE   9   3.497   4.661  -5.816
   55   1HG1  ILE   9          2HG1      ILE   9   1.897   4.758  -7.646
   56   2HG1  ILE   9          1HG1      ILE   9   2.820   6.252  -7.561
   57   1HG2  ILE   9          1HG2      ILE   9   5.641   5.218  -7.869
   58   2HG2  ILE   9          2HG2      ILE   9   5.897   4.898  -6.153
   59   3HG2  ILE   9          3HG2      ILE   9   5.061   6.363  -6.661
   60   1HD1  ILE   9          1HD1      ILE   9   4.192   5.525  -9.450
   61   2HD1  ILE   9          2HD1      ILE   9   2.480   5.572  -9.860
   62   3HD1  ILE   9          3HD1      ILE   9   3.260   4.026  -9.549
   63    H    ALA  10           H        ALA  10   6.172   1.843  -7.749
   64    HA   ALA  10           HA       ALA  10   6.729   0.890  -5.068
   65   1HB   ALA  10          1HB       ALA  10   8.473  -0.460  -6.144
   66   2HB   ALA  10          2HB       ALA  10   8.135   0.327  -7.683
   67   3HB   ALA  10          3HB       ALA  10   6.912  -0.696  -6.929
   68    H    CYS  11           H        CYS  11   7.928   2.116  -3.753
   69    HA   CYS  11           HA       CYS  11   9.569   4.168  -4.922
   70   1HB   CYS  11          2HB       CYS  11   9.035   3.647  -2.018
   71   2HB   CYS  11          1HB       CYS  11   9.610   5.076  -2.800
   72    HG   CYS  11           HG       CYS  11   6.505   3.948  -3.604
   73    H    HIS  12           H        HIS  12  11.656   3.838  -5.158
   74    HA   HIS  12           HA       HIS  12  13.003   1.927  -3.397
   75   1HB   HIS  12          2HB       HIS  12  13.746   2.864  -6.175
   76   2HB   HIS  12          1HB       HIS  12  14.832   1.947  -5.138
   77    HD1  HIS  12           1HD      HIS  12  14.530  -0.507  -5.041
   78    HD2  HIS  12           2HD      HIS  12  11.434   1.391  -7.049
   79    HE1  HIS  12           1HE      HIS  12  13.130  -2.356  -6.055
   80    HE2  HIS  12           2HE      HIS  12  11.385  -1.181  -7.392
   81    H    THR  13           H        THR  13  12.305   5.022  -3.546
   82    HA   THR  13           HA       THR  13  14.705   5.809  -2.155
   83    HB   THR  13           HB       THR  13  14.731   7.994  -3.395
   84    HG1  THR  13           1HG      THR  13  13.525   6.941  -5.630
   85   1HG2  THR  13          1HG2      THR  13  16.413   6.286  -3.957
   86   2HG2  THR  13          2HG2      THR  13  15.945   7.195  -5.390
   87   3HG2  THR  13          3HG2      THR  13  15.302   5.574  -5.128
   88    H    VAL  14           H        VAL  14  14.273   7.697  -0.860
   89    HA   VAL  14           HA       VAL  14  11.633   7.800   0.139
   90    HB   VAL  14           HB       VAL  14  13.650   8.247   1.537
   91   1HG1  VAL  14          1HG1      VAL  14  14.771  10.423   1.468
   92   2HG1  VAL  14          2HG1      VAL  14  13.854  10.832   0.020
   93   3HG1  VAL  14          3HG1      VAL  14  15.002   9.501  -0.017
   94   1HG2  VAL  14          1HG2      VAL  14  11.683  10.539   1.477
   95   2HG2  VAL  14          2HG2      VAL  14  12.758  10.150   2.822
   96   3HG2  VAL  14          3HG2      VAL  14  11.491   9.017   2.347
   97    H    GLU  15           H        GLU  15  13.280   9.410  -2.368
   98    HA   GLU  15           HA       GLU  15  11.840  11.819  -2.598
   99   1HB   GLU  15          2HB       GLU  15  13.928  11.313  -3.797
  100   2HB   GLU  15          1HB       GLU  15  13.083  10.103  -4.737
  101   1HG   GLU  15          2HG       GLU  15  11.627  11.862  -5.655
  102   2HG   GLU  15          1HG       GLU  15  12.571  13.065  -4.779
  103    H    THR  16           H        THR  16  11.418   8.678  -4.246
  104    HA   THR  16           HA       THR  16   9.100   9.300  -5.676
  105    HB   THR  16           HB       THR  16   9.964   6.614  -4.572
  106    HG1  THR  16           1HG      THR  16  10.836   8.197  -6.726
  107   1HG2  THR  16          1HG2      THR  16   8.241   7.326  -6.948
  108   2HG2  THR  16          2HG2      THR  16   7.675   6.594  -5.451
  109   3HG2  THR  16          3HG2      THR  16   8.762   5.699  -6.518
  110    H    TRP  17           H        TRP  17   9.579   7.950  -2.472
  111    HA   TRP  17           HA       TRP  17   6.930   7.468  -1.754
  112   1HB   TRP  17          2HB       TRP  17   8.797   6.547  -0.532
  113   2HB   TRP  17          1HB       TRP  17   9.407   8.145  -0.164
  114    HD1  TRP  17           HD       TRP  17   9.005   8.798   2.242
  115    HE1  TRP  17           1HE      TRP  17   7.297   8.251   4.055
  116    HE3  TRP  17           3HE      TRP  17   5.923   5.762  -0.468
  117    HZ2  TRP  17           2HZ      TRP  17   4.926   6.721   4.318
  118    HZ3  TRP  17           3HZ      TRP  17   3.950   4.803   0.644
  119    HH2  TRP  17           HH       TRP  17   3.464   5.276   2.985
  120    H    ASN  18           H        ASN  18   8.990  10.271  -1.138
  121    HA   ASN  18           HA       ASN  18   7.182  11.875   0.253
  122   1HB   ASN  18          2HB       ASN  18   9.620  12.186   0.196
  123   2HB   ASN  18          1HB       ASN  18   9.512  12.686  -1.479
  124   1HD2  ASN  18          1HD2      ASN  18   8.912  13.537   1.782
  125   2HD2  ASN  18          2HD2      ASN  18   8.615  15.217   1.520
  126    H    GLU  19           H        GLU  19   7.982  11.838  -3.196
  127    HA   GLU  19           HA       GLU  19   6.551  14.042  -4.102
  128   1HB   GLU  19          2HB       GLU  19   8.158  12.886  -5.487
  129   2HB   GLU  19          1HB       GLU  19   7.189  11.425  -5.461
  130   1HG   GLU  19          2HG       GLU  19   5.444  12.559  -6.737
  131   2HG   GLU  19          1HG       GLU  19   6.421  14.026  -6.767
  132    H    GLN  20           H        GLN  20   5.422  10.626  -3.930
  133    HA   GLN  20           HA       GLN  20   2.900  11.191  -4.859
  134   1HB   GLN  20          2HB       GLN  20   4.385   8.977  -3.732
  135   2HB   GLN  20          1HB       GLN  20   2.627   8.836  -3.724
  136   1HG   GLN  20          2HG       GLN  20   3.775   7.809  -5.747
  137   2HG   GLN  20          1HG       GLN  20   2.535   9.030  -6.043
  138   1HE2  GLN  20          1HE2      GLN  20   6.011   8.495  -6.050
  139   2HE2  GLN  20          2HE2      GLN  20   6.342   9.807  -7.134
  140    H    LEU  21           H        LEU  21   4.281  11.115  -1.527
  141    HA   LEU  21           HA       LEU  21   1.848  10.973  -0.240
  142   1HB   LEU  21          2HB       LEU  21   4.520  11.961   0.386
  143   2HB   LEU  21          1HB       LEU  21   3.238  12.052   1.548
  144    HG   LEU  21           HG       LEU  21   4.555   9.589   0.401
  145   1HD1  LEU  21          1HD1      LEU  21   4.425  10.723   3.189
  146   2HD1  LEU  21          2HD1      LEU  21   5.821  10.759   2.109
  147   3HD1  LEU  21          3HD1      LEU  21   5.222   9.220   2.726
  148   1HD2  LEU  21          1HD2      LEU  21   2.158   9.149   0.676
  149   2HD2  LEU  21          2HD2      LEU  21   2.231   9.757   2.331
  150   3HD2  LEU  21          3HD2      LEU  21   3.096   8.283   1.895
  151    H    GLN  22           H        GLN  22   3.813  13.680  -1.298
  152    HA   GLN  22           HA       GLN  22   2.287  15.658  -0.074
  153   1HB   GLN  22          2HB       GLN  22   3.680  15.837  -2.742
  154   2HB   GLN  22          1HB       GLN  22   3.114  17.191  -1.781
  155   1HG   GLN  22          2HG       GLN  22   4.716  16.556  -0.025
  156   2HG   GLN  22          1HG       GLN  22   5.332  15.289  -1.095
  157   1HE2  GLN  22          1HE2      GLN  22   7.374  16.226  -1.278
  158   2HE2  GLN  22          2HE2      GLN  22   7.612  17.681  -2.174
  159    H    LYS  23           H        LYS  23   2.030  14.169  -3.241
  160    HA   LYS  23           HA       LYS  23  -0.143  15.679  -4.192
  161   1HB   LYS  23          2HB       LYS  23   1.494  14.114  -5.470
  162   2HB   LYS  23          1HB       LYS  23   0.425  12.817  -4.988
  163   1HG   LYS  23          2HG       LYS  23  -0.361  15.191  -6.704
  164   2HG   LYS  23          1HG       LYS  23   0.008  13.577  -7.296
  165   1HD   LYS  23          2HD       LYS  23  -1.925  12.701  -6.108
  166   2HD   LYS  23          1HD       LYS  23  -2.271  14.300  -5.445
  167   1HE   LYS  23          2HE       LYS  23  -2.565  15.146  -7.755
  168   2HE   LYS  23          1HE       LYS  23  -2.311  13.507  -8.355
  169   1HZ   LYS  23          1HZ       LYS  23  -4.654  14.069  -8.202
  170   2HZ   LYS  23          2HZ       LYS  23  -4.508  14.360  -6.546
  171   3HZ   LYS  23          3HZ       LYS  23  -4.293  12.804  -7.153
  172    H    ALA  24           H        ALA  24   0.008  12.497  -2.458
  173    HA   ALA  24           HA       ALA  24  -2.777  12.065  -2.624
  174   1HB   ALA  24          1HB       ALA  24  -1.157  10.251  -2.270
  175   2HB   ALA  24          2HB       ALA  24  -2.395  10.280  -1.011
  176   3HB   ALA  24          3HB       ALA  24  -0.783  10.907  -0.677
  177    H    ASN  25           H        ASN  25  -0.765  13.827  -0.444
  178    HA   ASN  25           HA       ASN  25  -2.601  13.947   1.748
  179   1HB   ASN  25          2HB       ASN  25  -0.047  14.363   1.738
  180   2HB   ASN  25          1HB       ASN  25  -0.454  15.908   1.099
  181   1HD2  ASN  25          1HD2      ASN  25  -1.252  17.500   2.322
  182   2HD2  ASN  25          2HD2      ASN  25  -1.523  17.381   4.030
  183    H    GLU  26           H        GLU  26  -1.492  16.260  -0.617
  184    HA   GLU  26           HA       GLU  26  -3.419  18.203   0.034
  185   1HB   GLU  26          2HB       GLU  26  -1.633  17.948  -2.344
  186   2HB   GLU  26          1HB       GLU  26  -2.906  19.155  -2.345
  187   1HG   GLU  26          2HG       GLU  26  -0.824  20.154  -1.663
  188   2HG   GLU  26          1HG       GLU  26  -1.947  20.154  -0.318
  189    H    SER  27           H        SER  27  -3.613  15.642  -2.405
  190    HA   SER  27           HA       SER  27  -6.127  16.641  -3.330
  191   1HB   SER  27          2HB       SER  27  -4.763  14.000  -3.750
  192   2HB   SER  27          1HB       SER  27  -6.203  14.549  -4.605
  193    HG   SER  27           HG       SER  27  -4.063  16.296  -4.657
  194    H    LYS  28           H        LYS  28  -5.171  14.952  -0.559
  195    HA   LYS  28           HA       LYS  28  -6.175  13.773   1.058
  196   1HB   LYS  28          2HB       LYS  28  -8.556  15.048  -0.129
  197   2HB   LYS  28          1HB       LYS  28  -8.664  14.131   1.371
  198   1HG   LYS  28          2HG       LYS  28  -7.007  15.737   2.351
  199   2HG   LYS  28          1HG       LYS  28  -7.115  16.677   0.862
  200   1HD   LYS  28          2HD       LYS  28  -9.499  16.990   1.216
  201   2HD   LYS  28          1HD       LYS  28  -9.419  16.020   2.681
  202   1HE   LYS  28          2HE       LYS  28  -7.889  17.663   3.678
  203   2HE   LYS  28          1HE       LYS  28  -7.985  18.629   2.208
  204   1HZ   LYS  28          1HZ       LYS  28  -9.472  19.455   3.934
  205   2HZ   LYS  28          2HZ       LYS  28 -10.307  17.977   3.943
  206   3HZ   LYS  28          3HZ       LYS  28 -10.338  18.938   2.589
  207    H    THR  29           H        THR  29  -5.659  12.477  -1.339
  208    HA   THR  29           HA       THR  29  -7.822  10.739  -2.034
  209    HB   THR  29           HB       THR  29  -4.929  10.331  -2.546
  210    HG1  THR  29           1HG      THR  29  -6.861  11.982  -3.887
  211   1HG2  THR  29          1HG2      THR  29  -5.725   9.272  -4.649
  212   2HG2  THR  29          2HG2      THR  29  -7.384   9.591  -4.147
  213   3HG2  THR  29          3HG2      THR  29  -6.373   8.493  -3.204
  214    H    LEU  30           H        LEU  30  -7.983   8.650  -1.471
  215    HA   LEU  30           HA       LEU  30  -6.890   7.963   1.036
  216   1HB   LEU  30          2HB       LEU  30  -9.244   7.395   0.456
  217   2HB   LEU  30          1HB       LEU  30  -8.694   6.384  -0.850
  218    HG   LEU  30           HG       LEU  30  -8.232   5.726   2.085
  219   1HD1  LEU  30          1HD1      LEU  30 -10.609   5.828   1.593
  220   2HD1  LEU  30          2HD1      LEU  30 -10.072   4.164   1.832
  221   3HD1  LEU  30          3HD1      LEU  30 -10.371   4.768   0.203
  222   1HD2  LEU  30          1HD2      LEU  30  -7.832   3.462   1.255
  223   2HD2  LEU  30          2HD2      LEU  30  -6.700   4.594   0.507
  224   3HD2  LEU  30          3HD2      LEU  30  -8.096   4.011  -0.401
  225    H    VAL  31           H        VAL  31  -5.125   6.467   1.266
  226    HA   VAL  31           HA       VAL  31  -4.010   5.443  -1.209
  227    HB   VAL  31           HB       VAL  31  -2.859   7.492  -0.672
  228   1HG1  VAL  31          1HG1      VAL  31  -2.249   6.300   2.003
  229   2HG1  VAL  31          2HG1      VAL  31  -3.321   7.664   1.679
  230   3HG1  VAL  31          3HG1      VAL  31  -1.586   7.814   1.387
  231   1HG2  VAL  31          1HG2      VAL  31  -1.491   5.738  -1.616
  232   2HG2  VAL  31          2HG2      VAL  31  -1.153   5.105  -0.004
  233   3HG2  VAL  31          3HG2      VAL  31  -0.542   6.694  -0.475
  234    H    VAL  32           H        VAL  32  -3.009   3.476  -1.077
  235    HA   VAL  32           HA       VAL  32  -2.949   2.161   1.549
  236    HB   VAL  32           HB       VAL  32  -3.567   0.901  -1.096
  237   1HG1  VAL  32          1HG1      VAL  32  -4.034  -1.163   0.213
  238   2HG1  VAL  32          2HG1      VAL  32  -3.521  -0.321   1.674
  239   3HG1  VAL  32          3HG1      VAL  32  -2.361  -0.628   0.382
  240   1HG2  VAL  32          1HG2      VAL  32  -5.471   2.188  -0.330
  241   2HG2  VAL  32          2HG2      VAL  32  -5.400   1.402   1.246
  242   3HG2  VAL  32          3HG2      VAL  32  -5.830   0.467  -0.186
  243    H    VAL  33           H        VAL  33  -1.001   1.320   2.059
  244    HA   VAL  33           HA       VAL  33   0.975   1.197  -0.118
  245    HB   VAL  33           HB       VAL  33   1.591   2.095   2.702
  246   1HG1  VAL  33          1HG1      VAL  33   3.466   1.067   1.593
  247   2HG1  VAL  33          2HG1      VAL  33   3.740   2.801   1.766
  248   3HG1  VAL  33          3HG1      VAL  33   3.265   2.133   0.203
  249   1HG2  VAL  33          1HG2      VAL  33   1.234   3.799   0.230
  250   2HG2  VAL  33          2HG2      VAL  33   1.869   4.370   1.770
  251   3HG2  VAL  33          3HG2      VAL  33   0.206   3.792   1.660
  252    H    ASP  34           H        ASP  34   2.046  -0.613  -0.263
  253    HA   ASP  34           HA       ASP  34   1.882  -2.654   1.842
  254   1HB   ASP  34          2HB       ASP  34   1.321  -3.535  -0.313
  255   2HB   ASP  34          1HB       ASP  34   2.694  -2.744  -1.070
  256    H    PHE  35           H        PHE  35   3.555  -2.716   3.315
  257    HA   PHE  35           HA       PHE  35   6.165  -1.830   2.351
  258   1HB   PHE  35          2HB       PHE  35   5.057  -2.181   5.135
  259   2HB   PHE  35          1HB       PHE  35   6.685  -1.698   4.723
  260    HD1  PHE  35           1HD      PHE  35   3.167  -0.663   4.876
  261    HD2  PHE  35           2HD      PHE  35   7.158   0.580   4.076
  262    HE1  PHE  35           1HE      PHE  35   2.461   1.691   5.019
  263    HE2  PHE  35           2HE      PHE  35   6.457   2.933   4.211
  264    HZ   PHE  35           HZ       PHE  35   4.107   3.490   4.686
  265    H    THR  36           H        THR  36   7.252  -3.609   1.704
  266    HA   THR  36           HA       THR  36   7.939  -5.543   3.636
  267    HB   THR  36           HB       THR  36   5.829  -6.500   2.688
  268    HG1  THR  36           1HG      THR  36   6.706  -8.512   2.650
  269   1HG2  THR  36          1HG2      THR  36   5.916  -7.481   0.412
  270   2HG2  THR  36          2HG2      THR  36   7.491  -6.733   0.175
  271   3HG2  THR  36          3HG2      THR  36   6.061  -5.725   0.383
  272    H    ALA  37           H        ALA  37   9.454  -7.180   2.376
  273    HA   ALA  37           HA       ALA  37  11.044  -5.548   0.520
  274   1HB   ALA  37          1HB       ALA  37  11.979  -7.819   2.284
  275   2HB   ALA  37          2HB       ALA  37  12.276  -6.103   2.572
  276   3HB   ALA  37          3HB       ALA  37  12.989  -6.902   1.170
  277    H    SER  38           H        SER  38  11.593  -6.406  -1.394
  278    HA   SER  38           HA       SER  38   9.845  -8.168  -2.620
  279   1HB   SER  38          2HB       SER  38  12.614  -7.409  -3.540
  280   2HB   SER  38          1HB       SER  38  11.309  -8.033  -4.552
  281    HG   SER  38           HG       SER  38  11.242  -5.597  -3.052
  282    H    TRP  39           H        TRP  39  12.719  -8.977  -0.855
  283    HA   TRP  39           HA       TRP  39  12.939 -11.569  -2.056
  284   1HB   TRP  39          2HB       TRP  39  14.742 -11.957  -0.284
  285   2HB   TRP  39          1HB       TRP  39  15.025 -10.695  -1.460
  286    HD1  TRP  39           HD       TRP  39  15.762  -8.490  -0.544
  287    HE1  TRP  39           1HE      TRP  39  15.933  -7.376   1.771
  288    HE3  TRP  39           3HE      TRP  39  13.287 -11.980   2.188
  289    HZ2  TRP  39           2HZ      TRP  39  15.106  -7.919   4.416
  290    HZ3  TRP  39           3HZ      TRP  39  13.017 -11.619   4.615
  291    HH2  TRP  39           HH       TRP  39  13.909  -9.630   5.695
  292    H    CYS  40           H        CYS  40  10.631 -10.567  -0.194
  293    HA   CYS  40           HA       CYS  40  10.567 -12.785   1.687
  294   1HB   CYS  40          2HB       CYS  40   9.847 -10.663   2.515
  295   2HB   CYS  40          1HB       CYS  40   8.712 -10.451   1.195
  296    H    GLY  41           H        GLY  41   9.667 -14.677   1.195
  297   1HA   GLY  41          2HA       GLY  41   8.536 -15.269  -1.295
  298   2HA   GLY  41          1HA       GLY  41   8.513 -16.312   0.110
  299    HA   PRO  42           HA       PRO  42   4.139 -15.777   0.838
  300   1HB   PRO  42          2HB       PRO  42   4.561 -14.056   3.234
  301   2HB   PRO  42          1HB       PRO  42   3.626 -15.546   3.082
  302   1HG   PRO  42          2HG       PRO  42   5.969 -15.559   4.313
  303   2HG   PRO  42          1HG       PRO  42   5.509 -16.898   3.250
  304   1HD   PRO  42          2HD       PRO  42   7.399 -14.636   2.740
  305   2HD   PRO  42          1HD       PRO  42   7.524 -16.338   2.256
  306    H    CYS  43           H        CYS  43   5.998 -12.888   1.296
  307    HA   CYS  43           HA       CYS  43   3.926 -10.986   0.916
  308   1HB   CYS  43          2HB       CYS  43   6.876 -10.707   0.420
  309   2HB   CYS  43          1HB       CYS  43   5.734  -9.411   0.766
  310    H    ARG  44           H        ARG  44   6.277 -12.544  -1.212
  311    HA   ARG  44           HA       ARG  44   5.556 -11.083  -3.541
  312   1HB   ARG  44          2HB       ARG  44   7.747 -12.168  -3.251
  313   2HB   ARG  44          1HB       ARG  44   6.967 -13.738  -3.230
  314   1HG   ARG  44          2HG       ARG  44   6.298 -13.467  -5.542
  315   2HG   ARG  44          1HG       ARG  44   6.987 -11.846  -5.576
  316   1HD   ARG  44          2HD       ARG  44   9.188 -12.775  -5.071
  317   2HD   ARG  44          1HD       ARG  44   8.493 -14.394  -5.051
  318    HE   ARG  44           HE       ARG  44   7.904 -13.167  -7.488
  319   1HH1  ARG  44          1HH1      ARG  44  10.662 -14.512  -5.720
  320   2HH1  ARG  44          2HH1      ARG  44  11.542 -14.934  -7.119
  321   1HH2  ARG  44          1HH2      ARG  44   9.112 -13.728  -9.418
  322   2HH2  ARG  44          2HH2      ARG  44  10.637 -14.461  -9.277
  323    H    PHE  45           H        PHE  45   4.437 -13.929  -1.969
  324    HA   PHE  45           HA       PHE  45   2.829 -14.965  -4.066
  325   1HB   PHE  45          2HB       PHE  45   3.552 -16.335  -2.150
  326   2HB   PHE  45          1HB       PHE  45   2.594 -15.335  -1.073
  327    HD1  PHE  45           1HD      PHE  45   0.266 -15.723  -0.786
  328    HD2  PHE  45           2HD      PHE  45   2.419 -17.784  -3.822
  329    HE1  PHE  45           1HE      PHE  45  -1.655 -17.216  -1.126
  330    HE2  PHE  45           2HE      PHE  45   0.500 -19.284  -4.169
  331    HZ   PHE  45           HZ       PHE  45  -1.540 -18.999  -2.822
  332    H    ILE  46           H        ILE  46   2.241 -12.613  -1.510
  333    HA   ILE  46           HA       ILE  46  -0.581 -12.476  -2.166
  334    HB   ILE  46           HB       ILE  46   0.193 -12.333   0.202
  335   1HG1  ILE  46          2HG1      ILE  46  -1.158 -10.329   0.883
  336   2HG1  ILE  46          1HG1      ILE  46  -1.292  -9.919  -0.826
  337   1HG2  ILE  46          1HG2      ILE  46   2.226 -11.115  -0.111
  338   2HG2  ILE  46          2HG2      ILE  46   1.201 -10.308   1.077
  339   3HG2  ILE  46          3HG2      ILE  46   1.326  -9.670  -0.568
  340   1HD1  ILE  46          1HD1      ILE  46  -3.261 -11.087  -0.020
  341   2HD1  ILE  46          2HD1      ILE  46  -2.217 -12.430   0.476
  342   3HD1  ILE  46          3HD1      ILE  46  -2.391 -12.044  -1.239
  343    H    ALA  47           H        ALA  47   2.319 -10.864  -2.991
  344    HA   ALA  47           HA       ALA  47   1.647  -8.273  -3.534
  345   1HB   ALA  47          1HB       ALA  47   3.929  -9.170  -3.644
  346   2HB   ALA  47          2HB       ALA  47   3.528  -8.183  -5.054
  347   3HB   ALA  47          3HB       ALA  47   3.535  -9.938  -5.181
  348    HA   PRO  48           HA       PRO  48   0.336  -9.411  -8.176
  349   1HB   PRO  48          2HB       PRO  48  -1.109 -11.790  -8.221
  350   2HB   PRO  48          1HB       PRO  48   0.547 -11.576  -8.800
  351   1HG   PRO  48          2HG       PRO  48  -0.415 -12.606  -6.164
  352   2HG   PRO  48          1HG       PRO  48   0.899 -13.209  -7.187
  353   1HD   PRO  48          2HD       PRO  48   1.447 -11.740  -5.052
  354   2HD   PRO  48          1HD       PRO  48   2.339 -11.476  -6.569
  355    H    PHE  49           H        PHE  49  -1.517 -10.592  -5.395
  356    HA   PHE  49           HA       PHE  49  -4.001  -9.798  -6.546
  357   1HB   PHE  49          2HB       PHE  49  -3.886 -11.610  -4.847
  358   2HB   PHE  49          1HB       PHE  49  -3.427 -10.417  -3.633
  359    HD1  PHE  49           1HD      PHE  49  -6.139 -11.594  -5.812
  360    HD2  PHE  49           2HD      PHE  49  -5.051  -8.945  -2.666
  361    HE1  PHE  49           1HE      PHE  49  -8.512 -11.127  -5.390
  362    HE2  PHE  49           2HE      PHE  49  -7.418  -8.478  -2.237
  363    HZ   PHE  49           HZ       PHE  49  -9.153  -9.566  -3.600
  364    H    PHE  50           H        PHE  50  -1.640  -8.269  -4.482
  365    HA   PHE  50           HA       PHE  50  -3.215  -6.063  -3.689
  366   1HB   PHE  50          2HB       PHE  50  -1.049  -6.640  -2.620
  367   2HB   PHE  50          1HB       PHE  50  -0.208  -6.225  -4.105
  368    HD1  PHE  50           1HD      PHE  50  -2.151  -4.873  -1.277
  369    HD2  PHE  50           2HD      PHE  50   0.340  -3.951  -4.605
  370    HE1  PHE  50           1HE      PHE  50  -1.913  -2.569  -0.459
  371    HE2  PHE  50           2HE      PHE  50   0.576  -1.642  -3.795
  372    HZ   PHE  50           HZ       PHE  50  -0.550  -0.948  -1.717
  373    H    ALA  51           H        ALA  51  -1.263  -6.741  -6.502
  374    HA   ALA  51           HA       ALA  51  -1.543  -4.180  -7.712
  375   1HB   ALA  51          1HB       ALA  51   0.285  -5.712  -8.296
  376   2HB   ALA  51          2HB       ALA  51  -0.640  -5.241  -9.719
  377   3HB   ALA  51          3HB       ALA  51  -0.882  -6.833  -8.998
  378    H    ASP  52           H        ASP  52  -3.416  -7.105  -7.715
  379    HA   ASP  52           HA       ASP  52  -5.191  -6.489  -9.888
  380   1HB   ASP  52          2HB       ASP  52  -4.824  -8.758  -8.838
  381   2HB   ASP  52          1HB       ASP  52  -5.712  -8.183  -7.469
  382    H    LEU  53           H        LEU  53  -5.313  -6.138  -6.409
  383    HA   LEU  53           HA       LEU  53  -7.787  -5.045  -6.056
  384   1HB   LEU  53          2HB       LEU  53  -6.409  -5.931  -4.326
  385   2HB   LEU  53          1HB       LEU  53  -5.134  -4.807  -4.695
  386    HG   LEU  53           HG       LEU  53  -6.445  -3.068  -4.117
  387   1HD1  LEU  53          1HD1      LEU  53  -8.745  -3.938  -4.343
  388   2HD1  LEU  53          2HD1      LEU  53  -8.562  -3.433  -2.661
  389   3HD1  LEU  53          3HD1      LEU  53  -8.440  -5.142  -3.088
  390   1HD2  LEU  53          1HD2      LEU  53  -6.037  -5.079  -1.920
  391   2HD2  LEU  53          2HD2      LEU  53  -6.363  -3.376  -1.601
  392   3HD2  LEU  53          3HD2      LEU  53  -4.914  -3.845  -2.493
  393    H    ALA  54           H        ALA  54  -4.673  -3.613  -6.718
  394    HA   ALA  54           HA       ALA  54  -5.323  -0.905  -6.671
  395   1HB   ALA  54          1HB       ALA  54  -3.025  -1.730  -6.772
  396   2HB   ALA  54          2HB       ALA  54  -3.330  -0.545  -8.041
  397   3HB   ALA  54          3HB       ALA  54  -3.287  -2.267  -8.429
  398    H    LYS  55           H        LYS  55  -5.850  -3.290  -9.161
  399    HA   LYS  55           HA       LYS  55  -6.525  -1.386 -11.198
  400   1HB   LYS  55          2HB       LYS  55  -5.569  -3.550 -11.790
  401   2HB   LYS  55          1HB       LYS  55  -6.918  -4.372 -11.036
  402   1HG   LYS  55          2HG       LYS  55  -8.429  -3.472 -12.751
  403   2HG   LYS  55          1HG       LYS  55  -7.085  -2.602 -13.478
  404   1HD   LYS  55          2HD       LYS  55  -7.451  -4.569 -14.797
  405   2HD   LYS  55          1HD       LYS  55  -5.971  -4.818 -13.889
  406   1HE   LYS  55          2HE       LYS  55  -8.695  -5.993 -13.206
  407   2HE   LYS  55          1HE       LYS  55  -7.387  -6.853 -13.989
  408   1HZ   LYS  55          1HZ       LYS  55  -7.394  -7.442 -11.665
  409   2HZ   LYS  55          2HZ       LYS  55  -7.511  -5.877 -11.206
  410   3HZ   LYS  55          3HZ       LYS  55  -6.061  -6.432 -11.913
  411    H    LYS  56           H        LYS  56  -8.226  -3.132  -8.736
  412    HA   LYS  56           HA       LYS  56 -10.810  -2.693  -9.877
  413   1HB   LYS  56          2HB       LYS  56 -10.434  -4.643  -8.475
  414   2HB   LYS  56          1HB       LYS  56 -10.033  -3.623  -7.105
  415   1HG   LYS  56          2HG       LYS  56 -12.315  -2.771  -7.035
  416   2HG   LYS  56          1HG       LYS  56 -12.727  -3.713  -8.461
  417   1HD   LYS  56          2HD       LYS  56 -11.784  -4.892  -5.850
  418   2HD   LYS  56          1HD       LYS  56 -13.476  -4.744  -6.321
  419   1HE   LYS  56          2HE       LYS  56 -13.036  -6.169  -8.287
  420   2HE   LYS  56          1HE       LYS  56 -11.350  -6.308  -7.791
  421   1HZ   LYS  56          1HZ       LYS  56 -12.022  -7.437  -5.819
  422   2HZ   LYS  56          2HZ       LYS  56 -12.702  -8.229  -7.139
  423   3HZ   LYS  56          3HZ       LYS  56 -13.656  -7.235  -6.171
  424    H    LEU  57           H        LEU  57  -8.839  -1.031  -7.454
  425    HA   LEU  57           HA       LEU  57 -10.953   0.932  -7.202
  426   1HB   LEU  57          2HB       LEU  57  -8.515   0.382  -5.526
  427   2HB   LEU  57          1HB       LEU  57  -9.479   1.824  -5.345
  428    HG   LEU  57           HG       LEU  57 -11.436   0.364  -4.770
  429   1HD1  LEU  57          1HD1      LEU  57 -11.049  -1.945  -4.073
  430   2HD1  LEU  57          2HD1      LEU  57  -9.392  -1.837  -4.673
  431   3HD1  LEU  57          3HD1      LEU  57 -10.745  -1.708  -5.796
  432   1HD2  LEU  57          1HD2      LEU  57  -9.015   0.138  -2.987
  433   2HD2  LEU  57          2HD2      LEU  57 -10.675  -0.184  -2.495
  434   3HD2  LEU  57          3HD2      LEU  57 -10.213   1.437  -3.004
  435    HA   PRO  58           HA       PRO  58  -8.331   3.037 -10.285
  436   1HB   PRO  58          2HB       PRO  58 -10.700   4.721 -10.613
  437   2HB   PRO  58          1HB       PRO  58  -9.906   3.691 -11.802
  438   1HG   PRO  58          2HG       PRO  58 -12.326   3.098 -10.791
  439   2HG   PRO  58          1HG       PRO  58 -11.155   1.838 -11.206
  440   1HD   PRO  58          2HD       PRO  58 -11.842   2.957  -8.505
  441   2HD   PRO  58          1HD       PRO  58 -11.555   1.282  -9.025
  442    H    ASN  59           H        ASN  59 -10.339   4.524  -7.807
  443    HA   ASN  59           HA       ASN  59  -9.086   7.098  -8.092
  444   1HB   ASN  59          2HB       ASN  59 -10.749   7.796  -6.491
  445   2HB   ASN  59          1HB       ASN  59 -11.512   6.914  -7.811
  446   1HD2  ASN  59          1HD2      ASN  59 -10.854   7.016  -4.444
  447   2HD2  ASN  59          2HD2      ASN  59 -11.760   5.644  -3.982
  448    H    VAL  60           H        VAL  60  -8.181   4.326  -6.574
  449    HA   VAL  60           HA       VAL  60  -7.094   5.786  -4.289
  450    HB   VAL  60           HB       VAL  60  -7.540   2.787  -4.596
  451   1HG1  VAL  60          1HG1      VAL  60  -6.796   2.608  -2.264
  452   2HG1  VAL  60          2HG1      VAL  60  -6.430   4.334  -2.247
  453   3HG1  VAL  60          3HG1      VAL  60  -5.515   3.249  -3.293
  454   1HG2  VAL  60          1HG2      VAL  60  -9.609   3.991  -4.181
  455   2HG2  VAL  60          2HG2      VAL  60  -8.863   4.838  -2.831
  456   3HG2  VAL  60          3HG2      VAL  60  -9.134   3.102  -2.727
  457    H    LEU  61           H        LEU  61  -4.969   5.957  -4.112
  458    HA   LEU  61           HA       LEU  61  -3.400   4.936  -6.364
  459   1HB   LEU  61          2HB       LEU  61  -3.603   7.446  -5.558
  460   2HB   LEU  61          1HB       LEU  61  -2.470   6.949  -4.334
  461    HG   LEU  61           HG       LEU  61  -1.989   6.970  -7.316
  462   1HD1  LEU  61          1HD1      LEU  61  -0.848   8.677  -5.128
  463   2HD1  LEU  61          2HD1      LEU  61  -1.993   9.170  -6.381
  464   3HD1  LEU  61          3HD1      LEU  61  -0.351   8.707  -6.821
  465   1HD2  LEU  61          1HD2      LEU  61   0.341   6.390  -6.810
  466   2HD2  LEU  61          2HD2      LEU  61  -0.766   5.111  -6.297
  467   3HD2  LEU  61          3HD2      LEU  61  -0.080   6.214  -5.108
  468    H    PHE  62           H        PHE  62  -2.071   3.231  -5.932
  469    HA   PHE  62           HA       PHE  62  -1.627   2.556  -3.125
  470   1HB   PHE  62          2HB       PHE  62  -1.396   0.825  -5.573
  471   2HB   PHE  62          1HB       PHE  62  -1.118   0.306  -3.935
  472    HD1  PHE  62           1HD      PHE  62  -2.841  -0.565  -2.641
  473    HD2  PHE  62           2HD      PHE  62  -3.824   1.706  -6.101
  474    HE1  PHE  62           1HE      PHE  62  -5.207  -1.162  -2.358
  475    HE2  PHE  62           2HE      PHE  62  -6.193   1.115  -5.818
  476    HZ   PHE  62           HZ       PHE  62  -6.890  -0.323  -3.947
  477    H    LEU  63           H        LEU  63   0.344   2.185  -2.402
  478    HA   LEU  63           HA       LEU  63   2.603   2.602  -4.209
  479   1HB   LEU  63          2HB       LEU  63   2.308   3.739  -1.429
  480   2HB   LEU  63          1HB       LEU  63   3.829   3.608  -2.254
  481    HG   LEU  63           HG       LEU  63   2.877   5.176  -4.011
  482   1HD1  LEU  63          1HD1      LEU  63   1.005   6.580  -3.369
  483   2HD1  LEU  63          2HD1      LEU  63   0.754   5.579  -1.939
  484   3HD1  LEU  63          3HD1      LEU  63   0.524   4.889  -3.546
  485   1HD2  LEU  63          1HD2      LEU  63   4.449   5.921  -2.337
  486   2HD2  LEU  63          2HD2      LEU  63   3.135   6.183  -1.191
  487   3HD2  LEU  63          3HD2      LEU  63   3.243   7.167  -2.651
  488    H    LYS  64           H        LYS  64   4.531   1.627  -3.501
  489    HA   LYS  64           HA       LYS  64   4.215  -0.355  -1.405
  490   1HB   LYS  64          2HB       LYS  64   3.741  -1.399  -3.661
  491   2HB   LYS  64          1HB       LYS  64   5.381  -0.982  -4.132
  492   1HG   LYS  64          2HG       LYS  64   4.797  -2.689  -1.731
  493   2HG   LYS  64          1HG       LYS  64   4.935  -3.363  -3.346
  494   1HD   LYS  64          2HD       LYS  64   7.217  -2.748  -3.497
  495   2HD   LYS  64          1HD       LYS  64   7.096  -1.689  -2.091
  496   1HE   LYS  64          2HE       LYS  64   8.220  -3.888  -1.658
  497   2HE   LYS  64          1HE       LYS  64   6.838  -3.509  -0.628
  498   1HZ   LYS  64          1HZ       LYS  64   5.476  -4.949  -1.812
  499   2HZ   LYS  64          2HZ       LYS  64   6.877  -5.839  -1.510
  500   3HZ   LYS  64          3HZ       LYS  64   6.597  -5.202  -3.045
  501    H    VAL  65           H        VAL  65   5.775  -0.241  -0.075
  502    HA   VAL  65           HA       VAL  65   8.234   1.114  -0.903
  503    HB   VAL  65           HB       VAL  65   6.992   0.891   1.856
  504   1HG1  VAL  65          1HG1      VAL  65   9.413   0.794   2.025
  505   2HG1  VAL  65          2HG1      VAL  65   8.854   2.373   2.581
  506   3HG1  VAL  65          3HG1      VAL  65   9.567   2.194   0.974
  507   1HG2  VAL  65          1HG2      VAL  65   7.427   3.271   0.061
  508   2HG2  VAL  65          2HG2      VAL  65   6.791   3.327   1.704
  509   3HG2  VAL  65          3HG2      VAL  65   5.880   2.510   0.431
  510    H    ASP  66           H        ASP  66   9.838  -0.222  -1.154
  511    HA   ASP  66           HA       ASP  66   9.719  -2.839   0.010
  512   1HB   ASP  66          2HB       ASP  66  10.595  -2.497  -2.287
  513   2HB   ASP  66          1HB       ASP  66  11.885  -1.532  -1.571
  514    H    THR  67           H        THR  67  10.508  -3.318   1.896
  515    HA   THR  67           HA       THR  67  11.607  -1.281   3.526
  516    HB   THR  67           HB       THR  67  11.620  -3.053   5.293
  517    HG1  THR  67           1HG      THR  67  11.303  -5.063   4.758
  518   1HG2  THR  67          1HG2      THR  67   9.617  -1.671   4.898
  519   2HG2  THR  67          2HG2      THR  67   9.175  -3.312   5.373
  520   3HG2  THR  67          3HG2      THR  67   9.070  -2.826   3.681
  521    H    ASP  68           H        ASP  68  13.080  -3.591   1.484
  522    HA   ASP  68           HA       ASP  68  15.573  -3.772   2.970
  523   1HB   ASP  68          2HB       ASP  68  14.736  -5.585   1.449
  524   2HB   ASP  68          1HB       ASP  68  14.934  -4.494   0.102
  525    H    GLU  69           H        GLU  69  14.134  -2.105   0.323
  526    HA   GLU  69           HA       GLU  69  16.343  -0.535  -0.411
  527   1HB   GLU  69          2HB       GLU  69  13.391  -0.308  -0.825
  528   2HB   GLU  69          1HB       GLU  69  14.569   0.762  -1.543
  529   1HG   GLU  69          2HG       GLU  69  14.489  -2.216  -1.965
  530   2HG   GLU  69          1HG       GLU  69  13.787  -1.033  -3.066
  531    H    LEU  70           H        LEU  70  13.234   0.465   1.246
  532    HA   LEU  70           HA       LEU  70  14.677   2.712   2.249
  533   1HB   LEU  70          2HB       LEU  70  11.755   2.121   1.939
  534   2HB   LEU  70          1HB       LEU  70  12.397   3.465   2.836
  535    HG   LEU  70           HG       LEU  70  13.423   4.318   0.702
  536   1HD1  LEU  70          1HD1      LEU  70  11.808   2.132  -0.560
  537   2HD1  LEU  70          2HD1      LEU  70  13.568   2.241  -0.492
  538   3HD1  LEU  70          3HD1      LEU  70  12.645   3.429  -1.415
  539   1HD2  LEU  70          1HD2      LEU  70  11.304   5.220   1.469
  540   2HD2  LEU  70          2HD2      LEU  70  10.431   3.944   0.627
  541   3HD2  LEU  70          3HD2      LEU  70  11.351   5.135  -0.286
  542    H    LYS  71           H        LYS  71  15.738   1.446   3.815
  543    HA   LYS  71           HA       LYS  71  14.363  -0.029   5.804
  544   1HB   LYS  71          2HB       LYS  71  17.153   1.108   5.812
  545   2HB   LYS  71          1HB       LYS  71  16.528  -0.053   6.976
  546   1HG   LYS  71          2HG       LYS  71  16.207  -1.684   5.213
  547   2HG   LYS  71          1HG       LYS  71  16.759  -0.516   4.013
  548   1HD   LYS  71          2HD       LYS  71  18.944  -0.439   5.093
  549   2HD   LYS  71          1HD       LYS  71  18.387  -1.598   6.305
  550   1HE   LYS  71          2HE       LYS  71  18.037  -3.268   4.582
  551   2HE   LYS  71          1HE       LYS  71  18.500  -2.114   3.338
  552   1HZ   LYS  71          1HZ       LYS  71  20.255  -3.151   5.497
  553   2HZ   LYS  71          2HZ       LYS  71  20.700  -2.013   4.327
  554   3HZ   LYS  71          3HZ       LYS  71  20.285  -3.593   3.868
  555    H    SER  72           H        SER  72  15.578   3.286   5.672
  556    HA   SER  72           HA       SER  72  15.062   3.805   8.417
  557   1HB   SER  72          2HB       SER  72  15.406   5.740   6.147
  558   2HB   SER  72          1HB       SER  72  15.517   6.140   7.859
  559    HG   SER  72           HG       SER  72  17.145   4.077   7.320
  560    H    VAL  73           H        VAL  73  13.276   4.343   5.436
  561    HA   VAL  73           HA       VAL  73  11.146   5.727   6.682
  562    HB   VAL  73           HB       VAL  73  11.106   4.150   4.082
  563   1HG1  VAL  73          1HG1      VAL  73   8.848   4.495   4.923
  564   2HG1  VAL  73          2HG1      VAL  73   9.140   5.479   3.489
  565   3HG1  VAL  73          3HG1      VAL  73   9.164   6.221   5.089
  566   1HG2  VAL  73          1HG2      VAL  73  11.371   6.377   3.018
  567   2HG2  VAL  73          2HG2      VAL  73  12.748   5.932   4.021
  568   3HG2  VAL  73          3HG2      VAL  73  11.555   7.080   4.622
  569    H    ALA  74           H        ALA  74  11.685   2.309   5.908
  570    HA   ALA  74           HA       ALA  74   9.228   1.299   6.741
  571   1HB   ALA  74          1HB       ALA  74  10.382  -0.834   7.021
  572   2HB   ALA  74          2HB       ALA  74  11.936  -0.001   6.990
  573   3HB   ALA  74          3HB       ALA  74  10.921  -0.021   5.550
  574    H    SER  75           H        SER  75  12.195   1.885   8.597
  575    HA   SER  75           HA       SER  75  11.174   0.884  11.025
  576   1HB   SER  75          2HB       SER  75  13.586   1.064  10.562
  577   2HB   SER  75          1HB       SER  75  13.453   2.823  10.538
  578    HG   SER  75           HG       SER  75  12.949   1.090  12.709
  579    H    ASP  76           H        ASP  76  10.996   4.027   9.473
  580    HA   ASP  76           HA       ASP  76  10.301   5.545  11.778
  581   1HB   ASP  76          2HB       ASP  76  11.143   6.573   9.688
  582   2HB   ASP  76          1HB       ASP  76   9.648   6.120   8.884
  583    H    TRP  77           H        TRP  77   8.454   3.807   9.357
  584    HA   TRP  77           HA       TRP  77   5.993   4.640  10.552
  585   1HB   TRP  77          2HB       TRP  77   6.589   2.921   8.186
  586   2HB   TRP  77          1HB       TRP  77   4.938   3.232   8.727
  587    HD1  TRP  77           HD       TRP  77   7.919   4.912   7.014
  588    HE1  TRP  77           1HE      TRP  77   7.145   7.105   5.932
  589    HE3  TRP  77           3HE      TRP  77   3.169   5.134   8.892
  590    HZ2  TRP  77           2HZ      TRP  77   4.844   8.719   5.863
  591    HZ3  TRP  77           3HZ      TRP  77   1.752   7.048   8.260
  592    HH2  TRP  77           HH       TRP  77   2.571   8.794   6.783
  593    H    ALA  78           H        ALA  78   8.150   2.636  11.576
  594    HA   ALA  78           HA       ALA  78   8.251   0.959  13.076
  595   1HB   ALA  78          1HB       ALA  78   6.464   2.197  14.217
  596   2HB   ALA  78          2HB       ALA  78   6.287   0.459  14.450
  597   3HB   ALA  78          3HB       ALA  78   5.256   1.302  13.296
  598    H    ILE  79           H        ILE  79   7.935   0.324  10.268
  599    HA   ILE  79           HA       ILE  79   6.268  -2.022  10.191
  600    HB   ILE  79           HB       ILE  79   8.242  -1.038   8.114
  601   1HG1  ILE  79          2HG1      ILE  79   6.503   0.642   8.486
  602   2HG1  ILE  79          1HG1      ILE  79   6.269  -0.131   6.926
  603   1HG2  ILE  79          1HG2      ILE  79   7.717  -3.410   7.877
  604   2HG2  ILE  79          2HG2      ILE  79   7.001  -2.486   6.558
  605   3HG2  ILE  79          3HG2      ILE  79   5.991  -3.042   7.893
  606   1HD1  ILE  79          1HD1      ILE  79   4.718  -0.698   9.447
  607   2HD1  ILE  79          2HD1      ILE  79   4.480  -1.502   7.898
  608   3HD1  ILE  79          3HD1      ILE  79   4.157   0.224   8.052
  609    H    GLN  80           H        GLN  80   7.005  -3.480  11.510
  610    HA   GLN  80           HA       GLN  80   9.805  -4.351  11.296
  611   1HB   GLN  80          2HB       GLN  80   9.112  -3.733  13.551
  612   2HB   GLN  80          1HB       GLN  80   7.756  -4.840  13.464
  613   1HG   GLN  80          2HG       GLN  80   9.285  -6.734  13.375
  614   2HG   GLN  80          1HG       GLN  80  10.664  -5.640  13.419
  615   1HE2  GLN  80          1HE2      GLN  80  11.430  -6.547  15.333
  616   2HE2  GLN  80          2HE2      GLN  80  10.666  -6.255  16.845
  617    H    ALA  81           H        ALA  81   6.476  -5.447  11.152
  618    HA   ALA  81           HA       ALA  81   7.357  -8.157  10.600
  619   1HB   ALA  81          1HB       ALA  81   5.004  -8.748  10.748
  620   2HB   ALA  81          2HB       ALA  81   4.582  -7.040  10.899
  621   3HB   ALA  81          3HB       ALA  81   5.515  -7.833  12.168
  622    H    MET  82           H        MET  82   7.148  -9.142   8.688
  623    HA   MET  82           HA       MET  82   6.376  -7.411   6.481
  624   1HB   MET  82          2HB       MET  82   8.122  -9.841   6.387
  625   2HB   MET  82          1HB       MET  82   7.831  -8.704   5.114
  626   1HG   MET  82          2HG       MET  82   9.051  -6.973   6.188
  627   2HG   MET  82          1HG       MET  82   9.173  -7.912   7.681
  628   1HE   MET  82          1HE       MET  82   9.542  -9.322   4.069
  629   2HE   MET  82          2HE       MET  82  11.279  -9.190   3.799
  630   3HE   MET  82          3HE       MET  82  10.291  -7.729   3.907
  631    HA   PRO  83           HA       PRO  83   5.409  -7.315   4.946
  632   1HB   PRO  83          2HB       PRO  83   3.268  -7.281   3.351
  633   2HB   PRO  83          1HB       PRO  83   4.700  -8.243   2.961
  634   1HG   PRO  83          2HG       PRO  83   2.063  -9.123   4.005
  635   2HG   PRO  83          1HG       PRO  83   3.189  -9.966   2.932
  636   1HD   PRO  83          2HD       PRO  83   2.903 -10.322   5.726
  637   2HD   PRO  83          1HD       PRO  83   4.167 -11.007   4.689
  638    H    THR  84           H        THR  84   4.240  -5.283   5.340
  639    HA   THR  84           HA       THR  84   1.805  -5.584   6.919
  640    HB   THR  84           HB       THR  84   3.817  -3.429   7.040
  641    HG1  THR  84           1HG      THR  84   4.427  -5.407   8.175
  642   1HG2  THR  84          1HG2      THR  84   1.602  -2.526   7.469
  643   2HG2  THR  84          2HG2      THR  84   2.505  -2.544   8.981
  644   3HG2  THR  84          3HG2      THR  84   1.292  -3.783   8.665
  645    H    PHE  85           H        PHE  85   0.036  -4.766   5.986
  646    HA   PHE  85           HA       PHE  85   0.382  -2.989   3.723
  647   1HB   PHE  85          2HB       PHE  85  -1.960  -4.621   4.681
  648   2HB   PHE  85          1HB       PHE  85  -1.932  -3.598   3.271
  649    HD1  PHE  85           1HD      PHE  85  -0.779  -4.279   1.250
  650    HD2  PHE  85           2HD      PHE  85  -0.838  -6.782   4.692
  651    HE1  PHE  85           1HE      PHE  85  -0.022  -6.169  -0.115
  652    HE2  PHE  85           2HE      PHE  85  -0.075  -8.679   3.328
  653    HZ   PHE  85           HZ       PHE  85   0.332  -8.369   0.918
  654    H    MET  86           H        MET  86  -0.126  -0.950   4.064
  655    HA   MET  86           HA       MET  86  -1.611  -0.333   6.507
  656   1HB   MET  86          2HB       MET  86   0.659   0.483   6.457
  657   2HB   MET  86          1HB       MET  86   0.320   1.342   4.949
  658   1HG   MET  86          2HG       MET  86  -1.276   2.766   6.135
  659   2HG   MET  86          1HG       MET  86  -0.961   1.896   7.620
  660   1HE   MET  86          1HE       MET  86  -0.747   5.018   7.371
  661   2HE   MET  86          2HE       MET  86   0.738   5.307   8.289
  662   3HE   MET  86          3HE       MET  86  -0.428   4.111   8.851
  663    H    PHE  87           H        PHE  87  -3.583   0.343   6.238
  664    HA   PHE  87           HA       PHE  87  -4.371   1.469   3.712
  665   1HB   PHE  87          2HB       PHE  87  -5.790   0.040   5.931
  666   2HB   PHE  87          1HB       PHE  87  -6.610   0.876   4.632
  667    HD1  PHE  87           1HD      PHE  87  -4.342  -1.942   5.421
  668    HD2  PHE  87           2HD      PHE  87  -6.890  -0.165   2.517
  669    HE1  PHE  87           1HE      PHE  87  -4.213  -3.983   4.059
  670    HE2  PHE  87           2HE      PHE  87  -6.761  -2.199   1.149
  671    HZ   PHE  87           HZ       PHE  87  -5.423  -4.110   1.917
  672    H    LEU  88           H        LEU  88  -4.575   3.615   3.788
  673    HA   LEU  88           HA       LEU  88  -5.648   4.673   6.206
  674   1HB   LEU  88          2HB       LEU  88  -4.124   6.656   6.148
  675   2HB   LEU  88          1HB       LEU  88  -3.323   5.148   6.491
  676    HG   LEU  88           HG       LEU  88  -3.234   6.477   3.773
  677   1HD1  LEU  88          1HD1      LEU  88  -1.261   6.625   6.064
  678   2HD1  LEU  88          2HD1      LEU  88  -2.262   7.950   5.483
  679   3HD1  LEU  88          3HD1      LEU  88  -1.007   7.267   4.446
  680   1HD2  LEU  88          1HD2      LEU  88  -2.680   4.059   3.828
  681   2HD2  LEU  88          2HD2      LEU  88  -1.455   4.401   5.059
  682   3HD2  LEU  88          3HD2      LEU  88  -1.272   5.050   3.441
  683    H    LYS  89           H        LYS  89  -6.432   6.997   5.813
  684    HA   LYS  89           HA       LYS  89  -7.523   7.232   3.101
  685   1HB   LYS  89          2HB       LYS  89  -9.142   6.106   4.453
  686   2HB   LYS  89          1HB       LYS  89  -8.996   7.324   5.711
  687   1HG   LYS  89          2HG       LYS  89 -10.013   8.969   4.237
  688   2HG   LYS  89          1HG       LYS  89 -10.112   7.765   2.943
  689   1HD   LYS  89          2HD       LYS  89 -11.565   6.381   4.348
  690   2HD   LYS  89          1HD       LYS  89 -11.461   7.578   5.640
  691   1HE   LYS  89          2HE       LYS  89 -12.605   8.068   2.892
  692   2HE   LYS  89          1HE       LYS  89 -13.541   7.715   4.335
  693   1HZ   LYS  89          1HZ       LYS  89 -13.430  10.095   3.824
  694   2HZ   LYS  89          2HZ       LYS  89 -11.766  10.124   4.097
  695   3HZ   LYS  89          3HZ       LYS  89 -12.816   9.737   5.330
  696    H    GLU  90           H        GLU  90  -7.104   9.099   2.321
  697    HA   GLU  90           HA       GLU  90  -6.777  11.176   2.010
  698   1HB   GLU  90          2HB       GLU  90  -7.919  11.532   4.751
  699   2HB   GLU  90          1HB       GLU  90  -7.603  12.891   3.682
  700   1HG   GLU  90          2HG       GLU  90  -9.264  12.127   2.139
  701   2HG   GLU  90          1HG       GLU  90  -9.454  10.613   3.023
  702    H    GLY  91           H        GLY  91  -4.908   9.433   3.547
  703   1HA   GLY  91          2HA       GLY  91  -2.655   9.753   4.144
  704   2HA   GLY  91          1HA       GLY  91  -3.010  11.444   4.467
  705    H    LYS  92           H        LYS  92  -5.466   9.886   5.959
  706    HA   LYS  92           HA       LYS  92  -3.970   9.775   8.451
  707   1HB   LYS  92          2HB       LYS  92  -6.927  10.083   7.985
  708   2HB   LYS  92          1HB       LYS  92  -6.173   9.935   9.568
  709   1HG   LYS  92          2HG       LYS  92  -4.864  11.962   9.091
  710   2HG   LYS  92          1HG       LYS  92  -5.744  12.134   7.572
  711   1HD   LYS  92          2HD       LYS  92  -7.829  12.300   8.781
  712   2HD   LYS  92          1HD       LYS  92  -6.986  12.076  10.315
  713   1HE   LYS  92          2HE       LYS  92  -6.638  14.329   8.369
  714   2HE   LYS  92          1HE       LYS  92  -7.460  14.410   9.932
  715   1HZ   LYS  92          1HZ       LYS  92  -5.239  15.310  10.096
  716   2HZ   LYS  92          2HZ       LYS  92  -4.563  13.939   9.466
  717   3HZ   LYS  92          3HZ       LYS  92  -5.273  13.882  10.990
  718    H    ILE  93           H        ILE  93  -4.031   8.005   9.722
  719    HA   ILE  93           HA       ILE  93  -4.087   5.513   8.377
  720    HB   ILE  93           HB       ILE  93  -3.934   6.059  11.354
  721   1HG1  ILE  93          2HG1      ILE  93  -1.733   5.621   9.346
  722   2HG1  ILE  93          1HG1      ILE  93  -2.180   7.197   9.949
  723   1HG2  ILE  93          1HG2      ILE  93  -4.483   3.712  10.872
  724   2HG2  ILE  93          2HG2      ILE  93  -2.836   3.849  11.487
  725   3HG2  ILE  93          3HG2      ILE  93  -3.115   3.613   9.762
  726   1HD1  ILE  93          1HD1      ILE  93  -1.548   6.471  12.218
  727   2HD1  ILE  93          2HD1      ILE  93  -0.204   6.358  11.081
  728   3HD1  ILE  93          3HD1      ILE  93  -1.082   4.904  11.562
  729    H    LEU  94           H        LEU  94  -5.641   3.916   8.206
  730    HA   LEU  94           HA       LEU  94  -8.010   4.201   9.870
  731   1HB   LEU  94          2HB       LEU  94  -7.629   2.945   7.184
  732   2HB   LEU  94          1HB       LEU  94  -9.046   2.679   8.162
  733    HG   LEU  94           HG       LEU  94  -8.157   5.292   6.937
  734   1HD1  LEU  94          1HD1      LEU  94 -10.265   5.050   5.683
  735   2HD1  LEU  94          2HD1      LEU  94 -10.482   3.453   6.392
  736   3HD1  LEU  94          3HD1      LEU  94  -9.109   3.771   5.331
  737   1HD2  LEU  94          1HD2      LEU  94  -9.201   5.689   9.116
  738   2HD2  LEU  94          2HD2      LEU  94 -10.570   4.683   8.644
  739   3HD2  LEU  94          3HD2      LEU  94 -10.259   6.195   7.797
  740    H    ASP  95           H        ASP  95  -6.206   1.634   8.146
  741    HA   ASP  95           HA       ASP  95  -6.139   0.113  10.548
  742   1HB   ASP  95          2HB       ASP  95  -7.148  -1.858   9.361
  743   2HB   ASP  95          1HB       ASP  95  -8.265  -0.658  10.017
  744    H    LYS  96           H        LYS  96  -5.034  -1.888  10.397
  745    HA   LYS  96           HA       LYS  96  -2.881  -1.851   8.375
  746   1HB   LYS  96          2HB       LYS  96  -2.821  -2.664  11.272
  747   2HB   LYS  96          1HB       LYS  96  -1.501  -2.865  10.146
  748   1HG   LYS  96          2HG       LYS  96  -2.666  -0.225  10.981
  749   2HG   LYS  96          1HG       LYS  96  -1.237  -0.982  11.684
  750   1HD   LYS  96          2HD       LYS  96  -0.201  -0.966   9.428
  751   2HD   LYS  96          1HD       LYS  96  -1.595  -0.044   8.847
  752   1HE   LYS  96          2HE       LYS  96   0.275   1.426   9.402
  753   2HE   LYS  96          1HE       LYS  96  -1.107   1.719  10.457
  754   1HZ   LYS  96          1HZ       LYS  96   0.995   1.643  11.691
  755   2HZ   LYS  96          2HZ       LYS  96   1.276   0.080  11.183
  756   3HZ   LYS  96          3HZ       LYS  96  -0.015   0.397  12.185
  757    H    VAL  97           H        VAL  97  -2.371  -3.821   7.497
  758    HA   VAL  97           HA       VAL  97  -3.563  -6.202   8.736
  759    HB   VAL  97           HB       VAL  97  -2.729  -5.910   5.821
  760   1HG1  VAL  97          1HG1      VAL  97  -2.468  -8.172   6.647
  761   2HG1  VAL  97          2HG1      VAL  97  -3.800  -8.085   5.493
  762   3HG1  VAL  97          3HG1      VAL  97  -4.134  -8.172   7.224
  763   1HG2  VAL  97          1HG2      VAL  97  -5.111  -6.025   5.265
  764   2HG2  VAL  97          2HG2      VAL  97  -4.752  -4.609   6.257
  765   3HG2  VAL  97          3HG2      VAL  97  -5.511  -6.027   6.982
  766    H    VAL  98           H        VAL  98  -2.036  -7.351   9.715
  767    HA   VAL  98           HA       VAL  98   0.695  -6.977   8.797
  768    HB   VAL  98           HB       VAL  98   0.314  -6.132  11.035
  769   1HG1  VAL  98          1HG1      VAL  98  -1.533  -7.471  11.768
  770   2HG1  VAL  98          2HG1      VAL  98  -0.214  -7.575  12.932
  771   3HG1  VAL  98          3HG1      VAL  98  -0.512  -8.910  11.819
  772   1HG2  VAL  98          1HG2      VAL  98   2.498  -7.016  10.552
  773   2HG2  VAL  98          2HG2      VAL  98   1.987  -8.631  11.041
  774   3HG2  VAL  98          3HG2      VAL  98   2.092  -7.337  12.238
  775    H    GLY  99           H        GLY  99   1.605  -8.583   7.791
  776   1HA   GLY  99          2HA       GLY  99   2.301 -10.801   7.524
  777   2HA   GLY  99          1HA       GLY  99   1.004 -11.315   8.585
  778    H    ALA 100           H        ALA 100   1.695 -12.205   5.798
  779    HA   ALA 100           HA       ALA 100  -0.428 -11.097   4.207
  780   1HB   ALA 100          1HB       ALA 100   0.319 -12.664   2.503
  781   2HB   ALA 100          2HB       ALA 100   1.382 -13.448   3.669
  782   3HB   ALA 100          3HB       ALA 100   1.688 -11.782   3.179
  783    H    LYS 101           H        LYS 101  -2.367 -11.562   4.878
  784    HA   LYS 101           HA       LYS 101  -3.121 -14.357   4.898
  785   1HB   LYS 101          2HB       LYS 101  -4.270 -12.047   6.403
  786   2HB   LYS 101          1HB       LYS 101  -5.037 -13.629   6.262
  787   1HG   LYS 101          2HG       LYS 101  -3.149 -14.623   7.430
  788   2HG   LYS 101          1HG       LYS 101  -2.375 -13.028   7.536
  789   1HD   LYS 101          2HD       LYS 101  -3.374 -13.655   9.530
  790   2HD   LYS 101          1HD       LYS 101  -4.276 -12.300   8.809
  791   1HE   LYS 101          2HE       LYS 101  -5.960 -14.003   7.984
  792   2HE   LYS 101          1HE       LYS 101  -5.062 -15.229   8.858
  793   1HZ   LYS 101          1HZ       LYS 101  -6.516 -12.918  10.062
  794   2HZ   LYS 101          2HZ       LYS 101  -5.519 -13.944  10.925
  795   3HZ   LYS 101          3HZ       LYS 101  -6.891 -14.553  10.198
  796    H    LYS 102           H        LYS 102  -4.154 -14.613   2.886
  797    HA   LYS 102           HA       LYS 102  -5.044 -12.375   1.479
  798   1HB   LYS 102          2HB       LYS 102  -4.324 -14.483   0.407
  799   2HB   LYS 102          1HB       LYS 102  -5.747 -15.265   1.086
  800   1HG   LYS 102          2HG       LYS 102  -7.174 -13.777  -0.153
  801   2HG   LYS 102          1HG       LYS 102  -5.749 -12.984  -0.839
  802   1HD   LYS 102          2HD       LYS 102  -5.092 -15.113  -1.890
  803   2HD   LYS 102          1HD       LYS 102  -6.532 -15.880  -1.221
  804   1HE   LYS 102          2HE       LYS 102  -7.936 -14.287  -2.471
  805   2HE   LYS 102          1HE       LYS 102  -6.482 -13.585  -3.175
  806   1HZ   LYS 102          1HZ       LYS 102  -7.520 -15.151  -4.657
  807   2HZ   LYS 102          2HZ       LYS 102  -7.421 -16.371  -3.513
  808   3HZ   LYS 102          3HZ       LYS 102  -6.001 -15.737  -4.194
  809    H    ASP 103           H        ASP 103  -6.616 -14.755   3.498
  810    HA   ASP 103           HA       ASP 103  -9.307 -14.058   3.047
  811   1HB   ASP 103          2HB       ASP 103  -9.814 -15.286   5.103
  812   2HB   ASP 103          1HB       ASP 103  -8.586 -16.153   4.194
  813    H    GLU 104           H        GLU 104  -6.943 -12.856   5.341
  814    HA   GLU 104           HA       GLU 104  -8.784 -11.211   6.797
  815   1HB   GLU 104          2HB       GLU 104  -6.509 -12.146   7.576
  816   2HB   GLU 104          1HB       GLU 104  -5.812 -10.846   6.622
  817   1HG   GLU 104          2HG       GLU 104  -5.897 -10.233   8.942
  818   2HG   GLU 104          1HG       GLU 104  -7.000  -9.219   8.003
  819    H    LEU 105           H        LEU 105  -6.560 -10.799   4.147
  820    HA   LEU 105           HA       LEU 105  -6.715  -8.031   3.846
  821   1HB   LEU 105          2HB       LEU 105  -5.192  -9.659   2.688
  822   2HB   LEU 105          1HB       LEU 105  -6.535 -10.109   1.715
  823    HG   LEU 105           HG       LEU 105  -6.765  -7.893   0.783
  824   1HD1  LEU 105          1HD1      LEU 105  -4.287  -7.217   2.381
  825   2HD1  LEU 105          2HD1      LEU 105  -5.904  -6.539   2.606
  826   3HD1  LEU 105          3HD1      LEU 105  -4.999  -6.198   1.134
  827   1HD2  LEU 105          1HD2      LEU 105  -3.972  -8.999   0.537
  828   2HD2  LEU 105          2HD2      LEU 105  -4.731  -7.883  -0.595
  829   3HD2  LEU 105          3HD2      LEU 105  -5.384  -9.509  -0.386
  830    H    GLN 106           H        GLN 106  -8.553 -10.662   2.534
  831    HA   GLN 106           HA       GLN 106 -10.387  -9.148   0.941
  832   1HB   GLN 106          2HB       GLN 106 -11.137 -11.721   2.358
  833   2HB   GLN 106          1HB       GLN 106 -11.912 -11.040   0.946
  834   1HG   GLN 106          2HG       GLN 106  -9.210 -12.340   1.128
  835   2HG   GLN 106          1HG       GLN 106 -10.636 -12.917   0.275
  836   1HE2  GLN 106          1HE2      GLN 106  -7.961 -10.807   0.262
  837   2HE2  GLN 106          2HE2      GLN 106  -8.096 -10.275  -1.383
  838    H    SER 107           H        SER 107 -10.453 -10.104   4.291
  839    HA   SER 107           HA       SER 107 -13.034  -9.100   4.850
  840   1HB   SER 107          2HB       SER 107 -10.679  -9.589   6.675
  841   2HB   SER 107          1HB       SER 107 -12.355  -9.366   7.194
  842    HG   SER 107           HG       SER 107 -11.243 -11.533   5.707
  843    H    THR 108           H        THR 108  -9.786  -7.769   5.030
  844    HA   THR 108           HA       THR 108 -10.462  -5.307   6.167
  845    HB   THR 108           HB       THR 108  -8.148  -6.098   4.385
  846    HG1  THR 108           1HG      THR 108  -8.594  -7.043   6.624
  847   1HG2  THR 108          1HG2      THR 108  -8.439  -3.659   4.381
  848   2HG2  THR 108          2HG2      THR 108  -7.002  -4.109   5.301
  849   3HG2  THR 108          3HG2      THR 108  -8.484  -3.650   6.143
  850    H    ILE 109           H        ILE 109 -10.319  -6.414   2.778
  851    HA   ILE 109           HA       ILE 109 -10.826  -3.909   1.618
  852    HB   ILE 109           HB       ILE 109 -11.555  -6.680   0.621
  853   1HG1  ILE 109          2HG1      ILE 109  -9.179  -4.924  -0.038
  854   2HG1  ILE 109          1HG1      ILE 109  -9.142  -6.309   1.041
  855   1HG2  ILE 109          1HG2      ILE 109 -12.869  -4.956  -0.537
  856   2HG2  ILE 109          2HG2      ILE 109 -11.665  -5.652  -1.625
  857   3HG2  ILE 109          3HG2      ILE 109 -11.390  -4.066  -0.907
  858   1HD1  ILE 109          1HD1      ILE 109  -9.768  -6.371  -1.898
  859   2HD1  ILE 109          2HD1      ILE 109  -9.696  -7.774  -0.831
  860   3HD1  ILE 109          3HD1      ILE 109  -8.238  -6.826  -1.154
  861    H    ALA 110           H        ALA 110 -12.992  -6.485   2.729
  862    HA   ALA 110           HA       ALA 110 -15.397  -5.162   2.023
  863   1HB   ALA 110          1HB       ALA 110 -16.521  -6.824   3.408
  864   2HB   ALA 110          2HB       ALA 110 -14.984  -7.280   4.140
  865   3HB   ALA 110          3HB       ALA 110 -15.274  -7.597   2.431
  866    H    LYS 111           H        LYS 111 -13.383  -5.057   4.847
  867    HA   LYS 111           HA       LYS 111 -15.025  -3.656   6.650
  868   1HB   LYS 111          2HB       LYS 111 -12.757  -4.716   7.035
  869   2HB   LYS 111          1HB       LYS 111 -12.153  -3.328   6.183
  870   1HG   LYS 111          2HG       LYS 111 -12.941  -1.784   7.863
  871   2HG   LYS 111          1HG       LYS 111 -13.683  -3.107   8.761
  872   1HD   LYS 111          2HD       LYS 111 -10.720  -2.824   8.223
  873   2HD   LYS 111          1HD       LYS 111 -11.512  -2.366   9.726
  874   1HE   LYS 111          2HE       LYS 111 -11.403  -5.163   8.560
  875   2HE   LYS 111          1HE       LYS 111 -10.429  -4.565   9.892
  876   1HZ   LYS 111          1HZ       LYS 111 -12.305  -5.824  10.711
  877   2HZ   LYS 111          2HZ       LYS 111 -13.386  -4.856   9.895
  878   3HZ   LYS 111          3HZ       LYS 111 -12.497  -4.220  11.168
  879    H    HIS 112           H        HIS 112 -12.823  -2.617   4.155
  880    HA   HIS 112           HA       HIS 112 -13.261   0.146   4.545
  881   1HB   HIS 112          2HB       HIS 112 -11.939  -1.430   2.393
  882   2HB   HIS 112          1HB       HIS 112 -12.219   0.290   2.208
  883    HD1  HIS 112           1HD      HIS 112 -10.678   1.850   3.474
  884    HD2  HIS 112           2HD      HIS 112 -10.119  -2.125   4.477
  885    HE1  HIS 112           1HE      HIS 112  -8.560   1.780   4.822
  886    HE2  HIS 112           2HE      HIS 112  -8.543  -0.576   5.728
  887    H    LEU 113           H        LEU 113 -14.824  -2.288   2.397
  888    HA   LEU 113           HA       LEU 113 -16.207  -0.408   0.942
  889   1HB   LEU 113          2HB       LEU 113 -16.489  -3.294   1.497
  890   2HB   LEU 113          1HB       LEU 113 -17.437  -2.429   0.333
  891    HG   LEU 113           HG       LEU 113 -14.546  -2.887   0.298
  892   1HD1  LEU 113          1HD1      LEU 113 -15.823  -4.841  -0.328
  893   2HD1  LEU 113          2HD1      LEU 113 -15.047  -4.185  -1.777
  894   3HD1  LEU 113          3HD1      LEU 113 -16.763  -3.881  -1.472
  895   1HD2  LEU 113          1HD2      LEU 113 -14.547  -1.818  -1.955
  896   2HD2  LEU 113          2HD2      LEU 113 -14.925  -0.708  -0.644
  897   3HD2  LEU 113          3HD2      LEU 113 -16.219  -1.336  -1.669
  898    H    ALA 114           H        ALA 114 -18.663  -0.687   0.933
  899    HA   ALA 114           HA       ALA 114 -19.980  -1.318   3.359
  900   1HB   ALA 114          1HB       ALA 114 -19.860   1.586   2.493
  901   2HB   ALA 114          2HB       ALA 114 -19.123   0.920   3.950
  902   3HB   ALA 114          3HB       ALA 114 -20.876   0.933   3.779
  Start of MODEL   19
    1    H    MET   1           H        MET   1  -9.685   7.555 -20.558
    2    HA   MET   1           HA       MET   1  -7.958   6.190 -18.713
    3   1HB   MET   1          2HB       MET   1  -8.892   5.017 -20.641
    4   2HB   MET   1          1HB       MET   1  -8.071   6.121 -21.731
    5   1HG   MET   1          2HG       MET   1  -5.913   5.319 -20.899
    6   2HG   MET   1          1HG       MET   1  -6.752   4.184 -19.844
    7   1HE   MET   1          1HE       MET   1  -8.254   2.151 -20.756
    8   2HE   MET   1          2HE       MET   1  -8.480   1.816 -22.472
    9   3HE   MET   1          3HE       MET   1  -9.181   3.266 -21.763
   10    H    ALA   2           H        ALA   2  -6.396   7.363 -17.870
   11    HA   ALA   2           HA       ALA   2  -4.473   8.601 -19.649
   12   1HB   ALA   2          1HB       ALA   2  -5.955  10.436 -18.983
   13   2HB   ALA   2          2HB       ALA   2  -4.373  10.616 -18.221
   14   3HB   ALA   2          3HB       ALA   2  -5.737  10.009 -17.286
   15    H    SER   3           H        SER   3  -2.620   9.440 -17.957
   16    HA   SER   3           HA       SER   3  -1.717   7.105 -16.716
   17   1HB   SER   3          2HB       SER   3   0.138   8.716 -15.944
   18   2HB   SER   3          1HB       SER   3  -0.075   8.483 -17.682
   19    HG   SER   3           HG       SER   3  -0.142  10.744 -16.367
   20    H    GLU   4           H        GLU   4  -3.252   6.527 -15.238
   21    HA   GLU   4           HA       GLU   4  -2.985   7.377 -12.571
   22   1HB   GLU   4          2HB       GLU   4  -4.354   9.236 -13.492
   23   2HB   GLU   4          1HB       GLU   4  -5.532   8.083 -14.065
   24   1HG   GLU   4          2HG       GLU   4  -6.261   9.217 -12.013
   25   2HG   GLU   4          1HG       GLU   4  -6.116   7.475 -11.798
   26    H    GLU   5           H        GLU   5  -4.391   5.988 -11.244
   27    HA   GLU   5           HA       GLU   5  -5.180   4.025 -10.530
   28   1HB   GLU   5          2HB       GLU   5  -7.157   3.076 -11.560
   29   2HB   GLU   5          1HB       GLU   5  -7.277   4.829 -11.472
   30   1HG   GLU   5          2HG       GLU   5  -6.722   4.927 -13.865
   31   2HG   GLU   5          1HG       GLU   5  -6.650   3.171 -13.908
   32    H    GLY   6           H        GLY   6  -5.407   1.685 -10.678
   33   1HA   GLY   6          2HA       GLY   6  -4.826  -0.381 -11.393
   34   2HA   GLY   6          1HA       GLY   6  -4.510   0.291 -12.994
   35    H    GLN   7           H        GLN   7  -2.905   1.712 -10.330
   36    HA   GLN   7           HA       GLN   7  -0.584   0.127 -11.010
   37   1HB   GLN   7          2HB       GLN   7   0.803   2.138 -11.033
   38   2HB   GLN   7          1HB       GLN   7  -0.283   1.928 -12.390
   39   1HG   GLN   7          2HG       GLN   7  -1.825   3.583 -11.365
   40   2HG   GLN   7          1HG       GLN   7  -0.704   3.763 -10.017
   41   1HE2  GLN   7          1HE2      GLN   7  -0.438   5.944 -10.424
   42   2HE2  GLN   7          2HE2      GLN   7   0.487   6.517 -11.762
   43    H    VAL   8           H        VAL   8   0.902  -0.072  -9.663
   44    HA   VAL   8           HA       VAL   8   0.606   1.046  -7.004
   45    HB   VAL   8           HB       VAL   8   0.295  -1.365  -7.206
   46   1HG1  VAL   8          1HG1      VAL   8   2.174  -2.919  -7.633
   47   2HG1  VAL   8          2HG1      VAL   8   3.130  -1.537  -8.171
   48   3HG1  VAL   8          3HG1      VAL   8   1.663  -1.985  -9.039
   49   1HG2  VAL   8          1HG2      VAL   8   1.080  -0.496  -5.100
   50   2HG2  VAL   8          2HG2      VAL   8   2.755  -0.585  -5.649
   51   3HG2  VAL   8          3HG2      VAL   8   1.834  -2.066  -5.381
   52    H    ILE   9           H        ILE   9   2.132   2.515  -6.569
   53    HA   ILE   9           HA       ILE   9   4.311   2.659  -8.455
   54    HB   ILE   9           HB       ILE   9   3.408   4.689  -6.398
   55   1HG1  ILE   9          2HG1      ILE   9   3.076   4.517  -9.403
   56   2HG1  ILE   9          1HG1      ILE   9   1.813   4.303  -8.204
   57   1HG2  ILE   9          1HG2      ILE   9   4.929   6.245  -7.556
   58   2HG2  ILE   9          2HG2      ILE   9   5.483   4.934  -8.599
   59   3HG2  ILE   9          3HG2      ILE   9   5.824   4.889  -6.867
   60   1HD1  ILE   9          1HD1      ILE   9   3.323   6.823  -8.803
   61   2HD1  ILE   9          2HD1      ILE   9   2.143   6.643  -7.520
   62   3HD1  ILE   9          3HD1      ILE   9   1.641   6.472  -9.208
   63    H    ALA  10           H        ALA  10   6.077   1.778  -8.076
   64    HA   ALA  10           HA       ALA  10   6.831   0.883  -5.442
   65   1HB   ALA  10          1HB       ALA  10   7.122  -0.598  -7.357
   66   2HB   ALA  10          2HB       ALA  10   8.685  -0.217  -6.626
   67   3HB   ALA  10          3HB       ALA  10   8.189   0.582  -8.113
   68    H    CYS  11           H        CYS  11   7.788   2.294  -4.107
   69    HA   CYS  11           HA       CYS  11   9.281   4.469  -5.203
   70   1HB   CYS  11          2HB       CYS  11   8.906   3.700  -2.321
   71   2HB   CYS  11          1HB       CYS  11   9.375   5.227  -2.996
   72    HG   CYS  11           HG       CYS  11   6.370   4.163  -4.066
   73    H    HIS  12           H        HIS  12  11.370   4.325  -5.522
   74    HA   HIS  12           HA       HIS  12  12.906   2.238  -4.157
   75   1HB   HIS  12          2HB       HIS  12  13.603   3.884  -6.615
   76   2HB   HIS  12          1HB       HIS  12  14.637   2.681  -5.871
   77    HD1  HIS  12           1HD      HIS  12  14.000   0.224  -6.189
   78    HD2  HIS  12           2HD      HIS  12  11.570   2.874  -8.249
   79    HE1  HIS  12           1HE      HIS  12  12.771  -1.177  -7.900
   80    HE2  HIS  12           2HE      HIS  12  11.619   0.526  -9.330
   81    H    THR  13           H        THR  13  12.020   5.375  -3.847
   82    HA   THR  13           HA       THR  13  14.437   6.104  -2.421
   83    HB   THR  13           HB       THR  13  14.275   8.404  -3.405
   84    HG1  THR  13           1HG      THR  13  13.117   7.883  -5.701
   85   1HG2  THR  13          1HG2      THR  13  15.379   7.884  -5.543
   86   2HG2  THR  13          2HG2      THR  13  14.814   6.218  -5.430
   87   3HG2  THR  13          3HG2      THR  13  15.976   6.840  -4.254
   88    H    VAL  14           H        VAL  14  13.979   7.987  -1.036
   89    HA   VAL  14           HA       VAL  14  11.377   7.840   0.153
   90    HB   VAL  14           HB       VAL  14  13.561   9.871   0.598
   91   1HG1  VAL  14          1HG1      VAL  14  11.214   9.118   2.347
   92   2HG1  VAL  14          2HG1      VAL  14  11.390  10.611   1.431
   93   3HG1  VAL  14          3HG1      VAL  14  12.481  10.272   2.777
   94   1HG2  VAL  14          1HG2      VAL  14  14.397   7.633   1.065
   95   2HG2  VAL  14          2HG2      VAL  14  13.010   7.339   2.123
   96   3HG2  VAL  14          3HG2      VAL  14  14.207   8.559   2.555
   97    H    GLU  15           H        GLU  15  12.981   9.722  -2.235
   98    HA   GLU  15           HA       GLU  15  11.473  12.041  -2.295
   99   1HB   GLU  15          2HB       GLU  15  13.543  11.629  -3.573
  100   2HB   GLU  15          1HB       GLU  15  12.660  10.536  -4.615
  101   1HG   GLU  15          2HG       GLU  15  11.229  12.365  -5.343
  102   2HG   GLU  15          1HG       GLU  15  12.120  13.469  -4.300
  103    H    THR  16           H        THR  16  11.000   9.040  -4.146
  104    HA   THR  16           HA       THR  16   8.582   9.767  -5.394
  105    HB   THR  16           HB       THR  16   9.489   6.986  -4.589
  106    HG1  THR  16           1HG      THR  16  10.276   8.786  -6.556
  107   1HG2  THR  16          1HG2      THR  16   8.150   6.246  -6.516
  108   2HG2  THR  16          2HG2      THR  16   7.667   7.911  -6.818
  109   3HG2  THR  16          3HG2      THR  16   7.139   7.099  -5.345
  110    H    TRP  17           H        TRP  17   9.238   8.081  -2.375
  111    HA   TRP  17           HA       TRP  17   6.649   7.477  -1.554
  112   1HB   TRP  17          2HB       TRP  17   8.583   6.472  -0.521
  113   2HB   TRP  17          1HB       TRP  17   9.198   8.039  -0.054
  114    HD1  TRP  17           HD       TRP  17   8.987   8.441   2.424
  115    HE1  TRP  17           1HE      TRP  17   7.385   7.773   4.284
  116    HE3  TRP  17           3HE      TRP  17   5.655   5.746  -0.344
  117    HZ2  TRP  17           2HZ      TRP  17   4.990   6.287   4.565
  118    HZ3  TRP  17           3HZ      TRP  17   3.729   4.745   0.800
  119    HH2  TRP  17           HH       TRP  17   3.406   5.010   3.204
  120    H    ASN  18           H        ASN  18   8.671  10.231  -0.656
  121    HA   ASN  18           HA       ASN  18   6.823  11.609   0.952
  122   1HB   ASN  18          2HB       ASN  18   9.262  11.981   0.951
  123   2HB   ASN  18          1HB       ASN  18   9.143  12.667  -0.659
  124   1HD2  ASN  18          1HD2      ASN  18   9.952  14.617  -0.050
  125   2HD2  ASN  18          2HD2      ASN  18   9.100  15.734   0.936
  126    H    GLU  19           H        GLU  19   7.649  11.843  -2.455
  127    HA   GLU  19           HA       GLU  19   6.280  14.100  -3.281
  128   1HB   GLU  19          2HB       GLU  19   7.882  12.768  -4.629
  129   2HB   GLU  19          1HB       GLU  19   6.683  11.502  -4.771
  130   1HG   GLU  19          2HG       GLU  19   5.225  13.080  -5.972
  131   2HG   GLU  19          1HG       GLU  19   6.518  14.281  -5.906
  132    H    GLN  20           H        GLN  20   5.123  10.692  -3.122
  133    HA   GLN  20           HA       GLN  20   2.656  11.381  -4.160
  134   1HB   GLN  20          2HB       GLN  20   3.840   9.033  -2.937
  135   2HB   GLN  20          1HB       GLN  20   2.173   9.030  -3.490
  136   1HG   GLN  20          2HG       GLN  20   4.685   9.481  -5.136
  137   2HG   GLN  20          1HG       GLN  20   3.649   8.061  -5.209
  138   1HE2  GLN  20          1HE2      GLN  20   3.338   8.344  -7.411
  139   2HE2  GLN  20          2HE2      GLN  20   2.312   9.577  -8.055
  140    H    LEU  21           H        LEU  21   3.844  10.886  -0.822
  141    HA   LEU  21           HA       LEU  21   1.365  10.788   0.354
  142   1HB   LEU  21          2HB       LEU  21   4.012  11.719   1.193
  143   2HB   LEU  21          1HB       LEU  21   2.662  11.607   2.286
  144    HG   LEU  21           HG       LEU  21   4.092   9.343   0.883
  145   1HD1  LEU  21          1HD1      LEU  21   5.296  10.289   2.766
  146   2HD1  LEU  21          2HD1      LEU  21   4.709   8.672   3.143
  147   3HD1  LEU  21          3HD1      LEU  21   3.878  10.087   3.795
  148   1HD2  LEU  21          1HD2      LEU  21   1.693   8.842   1.032
  149   2HD2  LEU  21          2HD2      LEU  21   1.716   9.221   2.751
  150   3HD2  LEU  21          3HD2      LEU  21   2.618   7.835   2.145
  151    H    GLN  22           H        GLN  22   3.505  13.518  -0.309
  152    HA   GLN  22           HA       GLN  22   1.771  15.337   0.890
  153   1HB   GLN  22          2HB       GLN  22   3.057  17.131  -0.258
  154   2HB   GLN  22          1HB       GLN  22   4.073  15.989   0.597
  155   1HG   GLN  22          2HG       GLN  22   4.535  14.870  -1.562
  156   2HG   GLN  22          1HG       GLN  22   3.603  16.129  -2.368
  157   1HE2  GLN  22          1HE2      GLN  22   5.384  16.853  -3.528
  158   2HE2  GLN  22          2HE2      GLN  22   6.681  17.707  -2.788
  159    H    LYS  23           H        LYS  23   1.849  13.978  -2.298
  160    HA   LYS  23           HA       LYS  23  -0.089  15.705  -3.441
  161   1HB   LYS  23          2HB       LYS  23   1.309  14.285  -4.866
  162   2HB   LYS  23          1HB       LYS  23   0.608  12.841  -4.149
  163   1HG   LYS  23          2HG       LYS  23  -1.597  13.504  -5.037
  164   2HG   LYS  23          1HG       LYS  23  -0.845  14.891  -5.816
  165   1HD   LYS  23          2HD       LYS  23   0.547  13.375  -7.158
  166   2HD   LYS  23          1HD       LYS  23  -0.188  11.989  -6.351
  167   1HE   LYS  23          2HE       LYS  23  -2.391  12.676  -7.206
  168   2HE   LYS  23          1HE       LYS  23  -1.636  14.031  -8.032
  169   1HZ   LYS  23          1HZ       LYS  23  -2.011  12.208  -9.535
  170   2HZ   LYS  23          2HZ       LYS  23  -1.119  11.155  -8.581
  171   3HZ   LYS  23          3HZ       LYS  23  -0.350  12.433  -9.354
  172    H    ALA  24           H        ALA  24  -0.297  12.479  -1.847
  173    HA   ALA  24           HA       ALA  24  -3.037  12.099  -2.227
  174   1HB   ALA  24          1HB       ALA  24  -1.480  10.313  -1.586
  175   2HB   ALA  24          2HB       ALA  24  -2.858  10.400  -0.488
  176   3HB   ALA  24          3HB       ALA  24  -1.295  11.055   0.003
  177    H    ASN  25           H        ASN  25  -1.276  13.722   0.275
  178    HA   ASN  25           HA       ASN  25  -3.391  14.132   2.142
  179   1HB   ASN  25          2HB       ASN  25  -0.878  14.449   2.498
  180   2HB   ASN  25          1HB       ASN  25  -1.053  15.896   1.587
  181   1HD2  ASN  25          1HD2      ASN  25  -0.347  17.146   3.332
  182   2HD2  ASN  25          2HD2      ASN  25  -1.409  17.544   4.631
  183    H    GLU  26           H        GLU  26  -1.891  16.188  -0.192
  184    HA   GLU  26           HA       GLU  26  -3.563  18.454   0.092
  185   1HB   GLU  26          2HB       GLU  26  -1.317  18.570  -0.895
  186   2HB   GLU  26          1HB       GLU  26  -1.840  17.598  -2.246
  187   1HG   GLU  26          2HG       GLU  26  -2.914  20.361  -1.666
  188   2HG   GLU  26          1HG       GLU  26  -1.532  20.055  -2.701
  189    H    SER  27           H        SER  27  -3.732  15.775  -2.272
  190    HA   SER  27           HA       SER  27  -6.044  16.966  -3.447
  191   1HB   SER  27          2HB       SER  27  -4.641  14.372  -3.987
  192   2HB   SER  27          1HB       SER  27  -5.916  15.063  -4.990
  193    HG   SER  27           HG       SER  27  -3.987  16.915  -4.568
  194    H    LYS  28           H        LYS  28  -5.567  15.190  -0.707
  195    HA   LYS  28           HA       LYS  28  -6.829  13.979   0.691
  196   1HB   LYS  28          2HB       LYS  28  -8.994  15.186  -0.913
  197   2HB   LYS  28          1HB       LYS  28  -9.295  14.355   0.612
  198   1HG   LYS  28          2HG       LYS  28  -7.764  16.035   1.691
  199   2HG   LYS  28          1HG       LYS  28  -7.743  16.905   0.161
  200   1HD   LYS  28          2HD       LYS  28 -10.205  16.289   1.789
  201   2HD   LYS  28          1HD       LYS  28  -9.369  17.841   1.754
  202   1HE   LYS  28          2HE       LYS  28  -9.870  18.058  -0.622
  203   2HE   LYS  28          1HE       LYS  28 -10.655  16.480  -0.617
  204   1HZ   LYS  28          1HZ       LYS  28 -12.305  17.312   0.885
  205   2HZ   LYS  28          2HZ       LYS  28 -12.218  18.338  -0.466
  206   3HZ   LYS  28          3HZ       LYS  28 -11.524  18.809   0.990
  207    H    THR  29           H        THR  29  -5.883  12.733  -1.617
  208    HA   THR  29           HA       THR  29  -7.898  10.946  -2.600
  209    HB   THR  29           HB       THR  29  -4.947  10.779  -2.933
  210    HG1  THR  29           1HG      THR  29  -6.943  12.377  -4.184
  211   1HG2  THR  29          1HG2      THR  29  -6.168   8.816  -3.697
  212   2HG2  THR  29          2HG2      THR  29  -5.517   9.677  -5.089
  213   3HG2  THR  29          3HG2      THR  29  -7.226   9.827  -4.680
  214    H    LEU  30           H        LEU  30  -7.943   8.865  -2.173
  215    HA   LEU  30           HA       LEU  30  -7.088   8.087   0.426
  216   1HB   LEU  30          2HB       LEU  30  -9.373   7.596  -0.498
  217   2HB   LEU  30          1HB       LEU  30  -8.656   6.532  -1.671
  218    HG   LEU  30           HG       LEU  30  -8.729   6.032   1.326
  219   1HD1  LEU  30          1HD1      LEU  30 -10.438   4.395   0.811
  220   2HD1  LEU  30          2HD1      LEU  30 -10.383   4.856  -0.889
  221   3HD1  LEU  30          3HD1      LEU  30 -10.937   6.012   0.319
  222   1HD2  LEU  30          1HD2      LEU  30  -7.998   4.166  -0.940
  223   2HD2  LEU  30          2HD2      LEU  30  -8.073   3.749   0.770
  224   3HD2  LEU  30          3HD2      LEU  30  -6.852   4.883   0.188
  225    H    VAL  31           H        VAL  31  -5.286   6.668   0.748
  226    HA   VAL  31           HA       VAL  31  -4.008   5.624  -1.638
  227    HB   VAL  31           HB       VAL  31  -2.921   7.719  -1.037
  228   1HG1  VAL  31          1HG1      VAL  31  -1.765   8.051   1.080
  229   2HG1  VAL  31          2HG1      VAL  31  -2.398   6.510   1.645
  230   3HG1  VAL  31          3HG1      VAL  31  -3.509   7.838   1.308
  231   1HG2  VAL  31          1HG2      VAL  31  -1.488   5.986  -1.925
  232   2HG2  VAL  31          2HG2      VAL  31  -1.218   5.346  -0.303
  233   3HG2  VAL  31          3HG2      VAL  31  -0.608   6.947  -0.733
  234    H    VAL  32           H        VAL  32  -2.987   3.660  -1.392
  235    HA   VAL  32           HA       VAL  32  -3.066   2.468   1.285
  236    HB   VAL  32           HB       VAL  32  -3.644   1.050  -1.291
  237   1HG1  VAL  32          1HG1      VAL  32  -3.658   0.003   1.553
  238   2HG1  VAL  32          2HG1      VAL  32  -2.476  -0.394   0.311
  239   3HG1  VAL  32          3HG1      VAL  32  -4.153  -0.928   0.135
  240   1HG2  VAL  32          1HG2      VAL  32  -5.925   0.697  -0.403
  241   2HG2  VAL  32          2HG2      VAL  32  -5.542   2.409  -0.606
  242   3HG2  VAL  32          3HG2      VAL  32  -5.505   1.681   0.998
  243    H    VAL  33           H        VAL  33  -1.215   1.603   1.934
  244    HA   VAL  33           HA       VAL  33   0.959   1.494  -0.045
  245    HB   VAL  33           HB       VAL  33   1.152   2.312   2.862
  246   1HG1  VAL  33          1HG1      VAL  33   3.154   1.173   2.109
  247   2HG1  VAL  33          2HG1      VAL  33   3.477   2.893   2.329
  248   3HG1  VAL  33          3HG1      VAL  33   3.255   2.237   0.708
  249   1HG2  VAL  33          1HG2      VAL  33   0.067   4.033   1.519
  250   2HG2  VAL  33          2HG2      VAL  33   1.384   3.976   0.350
  251   3HG2  VAL  33          3HG2      VAL  33   1.686   4.552   1.991
  252    H    ASP  34           H        ASP  34   2.100  -0.333  -0.121
  253    HA   ASP  34           HA       ASP  34   1.734  -2.312   2.014
  254   1HB   ASP  34          2HB       ASP  34   0.791  -3.174  -0.018
  255   2HB   ASP  34          1HB       ASP  34   2.204  -2.685  -0.945
  256    H    PHE  35           H        PHE  35   3.457  -2.861   3.148
  257    HA   PHE  35           HA       PHE  35   6.067  -1.998   2.235
  258   1HB   PHE  35          2HB       PHE  35   5.149  -2.993   4.951
  259   2HB   PHE  35          1HB       PHE  35   6.733  -2.413   4.519
  260    HD1  PHE  35           1HD      PHE  35   7.208  -0.063   4.243
  261    HD2  PHE  35           2HD      PHE  35   3.276  -1.397   5.185
  262    HE1  PHE  35           1HE      PHE  35   6.571   2.240   4.832
  263    HE2  PHE  35           2HE      PHE  35   2.633   0.906   5.771
  264    HZ   PHE  35           HZ       PHE  35   4.282   2.727   5.594
  265    H    THR  36           H        THR  36   7.340  -3.466   1.383
  266    HA   THR  36           HA       THR  36   7.156  -6.260   2.047
  267    HB   THR  36           HB       THR  36   5.393  -5.992   0.393
  268    HG1  THR  36           1HG      THR  36   5.933  -7.689  -0.517
  269   1HG2  THR  36          1HG2      THR  36   6.126  -3.955  -0.674
  270   2HG2  THR  36          2HG2      THR  36   5.858  -5.214  -1.881
  271   3HG2  THR  36          3HG2      THR  36   7.501  -4.801  -1.389
  272    H    ALA  37           H        ALA  37   8.931  -7.359   0.856
  273    HA   ALA  37           HA       ALA  37  11.093  -5.477   0.160
  274   1HB   ALA  37          1HB       ALA  37  11.316  -6.105   2.578
  275   2HB   ALA  37          2HB       ALA  37  12.685  -6.523   1.564
  276   3HB   ALA  37          3HB       ALA  37  11.547  -7.767   2.041
  277    H    SER  38           H        SER  38  12.664  -6.246  -1.168
  278    HA   SER  38           HA       SER  38  12.066  -8.466  -2.793
  279   1HB   SER  38          2HB       SER  38  13.369  -6.498  -3.566
  280   2HB   SER  38          1HB       SER  38  14.676  -6.942  -2.476
  281    HG   SER  38           HG       SER  38  15.197  -7.720  -4.426
  282    H    TRP  39           H        TRP  39  13.662  -8.177   0.269
  283    HA   TRP  39           HA       TRP  39  14.847 -10.839   0.054
  284   1HB   TRP  39          2HB       TRP  39  15.919 -10.314   2.272
  285   2HB   TRP  39          1HB       TRP  39  16.328  -9.171   1.019
  286    HD1  TRP  39           HD       TRP  39  15.519  -6.765   1.343
  287    HE1  TRP  39           1HE      TRP  39  14.717  -5.385   3.411
  288    HE3  TRP  39           3HE      TRP  39  14.558 -10.615   4.483
  289    HZ2  TRP  39           2HZ      TRP  39  13.819  -5.930   6.024
  290    HZ3  TRP  39           3HZ      TRP  39  13.745 -10.139   6.750
  291    HH2  TRP  39           HH       TRP  39  13.383  -7.843   7.509
  292    H    CYS  40           H        CYS  40  11.952  -9.883   0.474
  293    HA   CYS  40           HA       CYS  40  11.228 -11.316   2.894
  294   1HB   CYS  40          2HB       CYS  40  10.242  -9.203   2.779
  295   2HB   CYS  40          1HB       CYS  40   9.897  -9.355   1.068
  296    H    GLY  41           H        GLY  41   9.435 -12.863   2.792
  297   1HA   GLY  41          2HA       GLY  41   9.546 -14.421   0.283
  298   2HA   GLY  41          1HA       GLY  41   9.352 -15.124   1.876
  299    HA   PRO  42           HA       PRO  42   4.940 -15.390   1.722
  300   1HB   PRO  42          2HB       PRO  42   4.050 -13.663   3.725
  301   2HB   PRO  42          1HB       PRO  42   4.554 -15.338   3.958
  302   1HG   PRO  42          2HG       PRO  42   6.135 -12.823   4.323
  303   2HG   PRO  42          1HG       PRO  42   6.097 -14.275   5.339
  304   1HD   PRO  42          2HD       PRO  42   8.129 -13.877   3.701
  305   2HD   PRO  42          1HD       PRO  42   7.413 -15.499   3.831
  306    H    CYS  43           H        CYS  43   6.098 -12.119   1.814
  307    HA   CYS  43           HA       CYS  43   3.722 -10.818   1.048
  308   1HB   CYS  43          2HB       CYS  43   5.244  -8.925   0.580
  309   2HB   CYS  43          1HB       CYS  43   5.530  -9.751   2.122
  310    H    ARG  44           H        ARG  44   6.325 -12.259  -0.678
  311    HA   ARG  44           HA       ARG  44   5.872 -11.239  -3.256
  312   1HB   ARG  44          2HB       ARG  44   7.951 -12.345  -2.680
  313   2HB   ARG  44          1HB       ARG  44   7.115 -13.853  -2.384
  314   1HG   ARG  44          2HG       ARG  44   6.621 -14.078  -4.740
  315   2HG   ARG  44          1HG       ARG  44   7.336 -12.496  -5.059
  316   1HD   ARG  44          2HD       ARG  44   8.872 -14.358  -5.598
  317   2HD   ARG  44          1HD       ARG  44   9.510 -13.284  -4.354
  318    HE   ARG  44           HE       ARG  44   8.103 -15.511  -3.266
  319   1HH1  ARG  44          1HH1      ARG  44  11.225 -14.569  -4.655
  320   2HH1  ARG  44          2HH1      ARG  44  12.146 -15.684  -3.771
  321   1HH2  ARG  44          1HH2      ARG  44   9.367 -17.070  -2.033
  322   2HH2  ARG  44          2HH2      ARG  44  11.058 -17.137  -2.220
  323    H    PHE  45           H        PHE  45   4.261 -13.789  -1.528
  324    HA   PHE  45           HA       PHE  45   2.891 -14.828  -3.830
  325   1HB   PHE  45          2HB       PHE  45   3.389 -16.338  -2.006
  326   2HB   PHE  45          1HB       PHE  45   2.537 -15.314  -0.863
  327    HD1  PHE  45           1HD      PHE  45   0.255 -15.643  -0.443
  328    HD2  PHE  45           2HD      PHE  45   2.043 -17.467  -3.847
  329    HE1  PHE  45           1HE      PHE  45  -1.803 -16.936  -0.826
  330    HE2  PHE  45           2HE      PHE  45  -0.013 -18.763  -4.235
  331    HZ   PHE  45           HZ       PHE  45  -1.939 -18.497  -2.724
  332    H    ILE  46           H        ILE  46   2.220 -12.442  -1.351
  333    HA   ILE  46           HA       ILE  46  -0.612 -12.343  -2.067
  334    HB   ILE  46           HB       ILE  46   0.146 -12.194   0.333
  335   1HG1  ILE  46          2HG1      ILE  46  -1.310 -10.229   0.964
  336   2HG1  ILE  46          1HG1      ILE  46  -1.476  -9.901  -0.760
  337   1HG2  ILE  46          1HG2      ILE  46   1.135  -9.473  -0.446
  338   2HG2  ILE  46          2HG2      ILE  46   2.105 -10.863   0.017
  339   3HG2  ILE  46          3HG2      ILE  46   1.023 -10.108   1.202
  340   1HD1  ILE  46          1HD1      ILE  46  -2.280 -12.388   0.684
  341   2HD1  ILE  46          2HD1      ILE  46  -2.460 -12.134  -1.059
  342   3HD1  ILE  46          3HD1      ILE  46  -3.376 -11.142   0.090
  343    H    ALA  47           H        ALA  47   2.315 -10.681  -2.757
  344    HA   ALA  47           HA       ALA  47   1.552  -8.119  -3.343
  345   1HB   ALA  47          1HB       ALA  47   3.666  -9.657  -4.849
  346   2HB   ALA  47          2HB       ALA  47   3.889  -8.903  -3.276
  347   3HB   ALA  47          3HB       ALA  47   3.534  -7.907  -4.692
  348    HA   PRO  48           HA       PRO  48   0.526  -9.317  -8.020
  349   1HB   PRO  48          2HB       PRO  48  -0.589 -12.031  -7.505
  350   2HB   PRO  48          1HB       PRO  48   0.305 -11.434  -8.907
  351   1HG   PRO  48          2HG       PRO  48   1.531 -13.013  -7.190
  352   2HG   PRO  48          1HG       PRO  48   2.362 -11.577  -7.815
  353   1HD   PRO  48          2HD       PRO  48   1.006 -11.957  -5.169
  354   2HD   PRO  48          1HD       PRO  48   2.583 -11.224  -5.529
  355    H    PHE  49           H        PHE  49  -1.207 -10.382  -5.210
  356    HA   PHE  49           HA       PHE  49  -3.802  -9.893  -6.356
  357   1HB   PHE  49          2HB       PHE  49  -3.541 -11.614  -4.627
  358   2HB   PHE  49          1HB       PHE  49  -3.012 -10.395  -3.476
  359    HD1  PHE  49           1HD      PHE  49  -5.870 -11.380  -5.611
  360    HD2  PHE  49           2HD      PHE  49  -4.569  -9.297  -2.153
  361    HE1  PHE  49           1HE      PHE  49  -8.212 -11.029  -4.950
  362    HE2  PHE  49           2HE      PHE  49  -6.901  -8.940  -1.482
  363    HZ   PHE  49           HZ       PHE  49  -8.731  -9.807  -2.888
  364    H    PHE  50           H        PHE  50  -1.550  -8.174  -4.303
  365    HA   PHE  50           HA       PHE  50  -3.276  -5.953  -3.730
  366   1HB   PHE  50          2HB       PHE  50  -1.225  -6.504  -2.400
  367   2HB   PHE  50          1HB       PHE  50  -0.237  -6.078  -3.788
  368    HD1  PHE  50           1HD      PHE  50  -2.590  -4.746  -1.281
  369    HD2  PHE  50           2HD      PHE  50   0.359  -3.820  -4.201
  370    HE1  PHE  50           1HE      PHE  50  -2.524  -2.433  -0.472
  371    HE2  PHE  50           2HE      PHE  50   0.431  -1.499  -3.392
  372    HZ   PHE  50           HZ       PHE  50  -1.010  -0.801  -1.527
  373    H    ALA  51           H        ALA  51  -1.082  -6.740  -6.318
  374    HA   ALA  51           HA       ALA  51  -1.220  -4.232  -7.642
  375   1HB   ALA  51          1HB       ALA  51  -0.696  -6.976  -8.807
  376   2HB   ALA  51          2HB       ALA  51   0.527  -5.892  -8.148
  377   3HB   ALA  51          3HB       ALA  51  -0.360  -5.440  -9.605
  378    H    ASP  52           H        ASP  52  -3.266  -7.003  -7.510
  379    HA   ASP  52           HA       ASP  52  -4.974  -6.399  -9.756
  380   1HB   ASP  52          2HB       ASP  52  -4.682  -8.655  -8.637
  381   2HB   ASP  52          1HB       ASP  52  -5.559  -8.007  -7.288
  382    H    LEU  53           H        LEU  53  -5.105  -5.984  -6.299
  383    HA   LEU  53           HA       LEU  53  -7.500  -4.701  -5.988
  384   1HB   LEU  53          2HB       LEU  53  -4.876  -4.401  -4.594
  385   2HB   LEU  53          1HB       LEU  53  -6.321  -3.703  -3.966
  386    HG   LEU  53           HG       LEU  53  -5.657  -6.597  -4.269
  387   1HD1  LEU  53          1HD1      LEU  53  -4.656  -5.488  -2.336
  388   2HD1  LEU  53          2HD1      LEU  53  -5.892  -6.635  -1.834
  389   3HD1  LEU  53          3HD1      LEU  53  -6.247  -4.908  -1.848
  390   1HD2  LEU  53          1HD2      LEU  53  -7.847  -7.073  -3.237
  391   2HD2  LEU  53          2HD2      LEU  53  -7.987  -6.360  -4.836
  392   3HD2  LEU  53          3HD2      LEU  53  -8.277  -5.368  -3.401
  393    H    ALA  54           H        ALA  54  -4.389  -3.417  -6.972
  394    HA   ALA  54           HA       ALA  54  -5.011  -0.683  -6.881
  395   1HB   ALA  54          1HB       ALA  54  -2.718  -1.542  -7.063
  396   2HB   ALA  54          2HB       ALA  54  -3.072  -0.367  -8.329
  397   3HB   ALA  54          3HB       ALA  54  -3.061  -2.091  -8.704
  398    H    LYS  55           H        LYS  55  -5.641  -3.121  -9.309
  399    HA   LYS  55           HA       LYS  55  -6.481  -1.197 -11.288
  400   1HB   LYS  55          2HB       LYS  55  -5.371  -3.292 -11.924
  401   2HB   LYS  55          1HB       LYS  55  -6.675  -4.212 -11.204
  402   1HG   LYS  55          2HG       LYS  55  -8.213  -3.407 -12.866
  403   2HG   LYS  55          1HG       LYS  55  -6.979  -2.335 -13.533
  404   1HD   LYS  55          2HD       LYS  55  -5.605  -4.270 -14.111
  405   2HD   LYS  55          1HD       LYS  55  -6.829  -5.343 -13.437
  406   1HE   LYS  55          2HE       LYS  55  -8.421  -4.648 -15.083
  407   2HE   LYS  55          1HE       LYS  55  -7.318  -3.419 -15.696
  408   1HZ   LYS  55          1HZ       LYS  55  -6.857  -6.357 -15.806
  409   2HZ   LYS  55          2HZ       LYS  55  -5.824  -5.165 -16.405
  410   3HZ   LYS  55          3HZ       LYS  55  -7.340  -5.381 -17.096
  411    H    LYS  56           H        LYS  56  -7.883  -2.792  -8.663
  412    HA   LYS  56           HA       LYS  56 -10.581  -2.753  -9.656
  413   1HB   LYS  56          2HB       LYS  56  -9.479  -3.296  -6.906
  414   2HB   LYS  56          1HB       LYS  56 -11.177  -3.432  -7.344
  415   1HG   LYS  56          2HG       LYS  56 -10.641  -5.194  -8.929
  416   2HG   LYS  56          1HG       LYS  56  -8.927  -5.016  -8.560
  417   1HD   LYS  56          2HD       LYS  56  -9.902  -6.928  -7.380
  418   2HD   LYS  56          1HD       LYS  56  -9.335  -5.699  -6.252
  419   1HE   LYS  56          2HE       LYS  56 -11.488  -6.611  -5.568
  420   2HE   LYS  56          1HE       LYS  56 -11.630  -4.903  -5.955
  421   1HZ   LYS  56          1HZ       LYS  56 -12.378  -7.148  -7.748
  422   2HZ   LYS  56          2HZ       LYS  56 -12.576  -5.521  -8.108
  423   3HZ   LYS  56          3HZ       LYS  56 -13.453  -6.228  -6.839
  424    H    LEU  57           H        LEU  57  -8.652  -0.731  -7.418
  425    HA   LEU  57           HA       LEU  57 -10.957   1.002  -7.184
  426   1HB   LEU  57          2HB       LEU  57  -8.457   0.782  -5.506
  427   2HB   LEU  57          1HB       LEU  57  -9.645   2.045  -5.319
  428    HG   LEU  57           HG       LEU  57 -11.333   0.229  -4.751
  429   1HD1  LEU  57          1HD1      LEU  57  -8.900  -1.521  -4.579
  430   2HD1  LEU  57          2HD1      LEU  57 -10.248  -1.683  -5.712
  431   3HD1  LEU  57          3HD1      LEU  57 -10.513  -1.927  -3.988
  432   1HD2  LEU  57          1HD2      LEU  57 -10.515  -0.091  -2.454
  433   2HD2  LEU  57          2HD2      LEU  57 -10.395   1.567  -3.013
  434   3HD2  LEU  57          3HD2      LEU  57  -8.945   0.553  -2.944
  435    HA   PRO  58           HA       PRO  58  -8.575   3.314 -10.226
  436   1HB   PRO  58          2HB       PRO  58 -10.567   4.905 -11.067
  437   2HB   PRO  58          1HB       PRO  58 -10.467   3.200 -11.522
  438   1HG   PRO  58          2HG       PRO  58 -12.141   4.496  -9.403
  439   2HG   PRO  58          1HG       PRO  58 -12.597   3.247 -10.572
  440   1HD   PRO  58          2HD       PRO  58 -11.949   2.709  -7.984
  441   2HD   PRO  58          1HD       PRO  58 -11.690   1.558  -9.311
  442    H    ASN  59           H        ASN  59 -10.329   4.653  -7.511
  443    HA   ASN  59           HA       ASN  59  -9.179   7.272  -7.920
  444   1HB   ASN  59          2HB       ASN  59 -10.745   7.949  -6.223
  445   2HB   ASN  59          1HB       ASN  59 -11.581   7.140  -7.544
  446   1HD2  ASN  59          1HD2      ASN  59 -12.429   7.600  -4.839
  447   2HD2  ASN  59          2HD2      ASN  59 -12.768   6.074  -4.116
  448    H    VAL  60           H        VAL  60  -8.062   4.563  -6.691
  449    HA   VAL  60           HA       VAL  60  -7.017   5.846  -4.291
  450    HB   VAL  60           HB       VAL  60  -7.474   2.890  -4.787
  451   1HG1  VAL  60          1HG1      VAL  60  -5.439   3.243  -3.481
  452   2HG1  VAL  60          2HG1      VAL  60  -6.720   2.569  -2.472
  453   3HG1  VAL  60          3HG1      VAL  60  -6.321   4.284  -2.363
  454   1HG2  VAL  60          1HG2      VAL  60  -9.057   3.087  -2.912
  455   2HG2  VAL  60          2HG2      VAL  60  -9.520   4.081  -4.293
  456   3HG2  VAL  60          3HG2      VAL  60  -8.776   4.828  -2.882
  457    H    LEU  61           H        LEU  61  -4.920   5.985  -4.069
  458    HA   LEU  61           HA       LEU  61  -3.269   5.140  -6.337
  459   1HB   LEU  61          2HB       LEU  61  -3.481   7.562  -5.276
  460   2HB   LEU  61          1HB       LEU  61  -2.400   6.921  -4.069
  461    HG   LEU  61           HG       LEU  61  -1.846   7.317  -7.001
  462   1HD1  LEU  61          1HD1      LEU  61  -1.782   9.346  -5.754
  463   2HD1  LEU  61          2HD1      LEU  61  -0.151   8.881  -6.238
  464   3HD1  LEU  61          3HD1      LEU  61  -0.682   8.628  -4.577
  465   1HD2  LEU  61          1HD2      LEU  61   0.437   6.568  -6.568
  466   2HD2  LEU  61          2HD2      LEU  61  -0.726   5.271  -6.277
  467   3HD2  LEU  61          3HD2      LEU  61  -0.015   6.142  -4.918
  468    H    PHE  62           H        PHE  62  -1.883   3.408  -5.987
  469    HA   PHE  62           HA       PHE  62  -1.524   2.518  -3.209
  470   1HB   PHE  62          2HB       PHE  62  -1.377   0.884  -5.732
  471   2HB   PHE  62          1HB       PHE  62  -1.128   0.279  -4.120
  472    HD1  PHE  62           1HD      PHE  62  -3.753   1.828  -6.263
  473    HD2  PHE  62           2HD      PHE  62  -2.902  -0.530  -2.832
  474    HE1  PHE  62           1HE      PHE  62  -6.148   1.292  -6.040
  475    HE2  PHE  62           2HE      PHE  62  -5.290  -1.064  -2.597
  476    HZ   PHE  62           HZ       PHE  62  -6.915  -0.158  -4.197
  477    H    LEU  63           H        LEU  63   0.502   1.996  -2.536
  478    HA   LEU  63           HA       LEU  63   2.707   2.492  -4.398
  479   1HB   LEU  63          2HB       LEU  63   2.515   3.531  -1.585
  480   2HB   LEU  63          1HB       LEU  63   3.997   3.453  -2.493
  481    HG   LEU  63           HG       LEU  63   2.873   5.034  -4.152
  482   1HD1  LEU  63          1HD1      LEU  63   0.587   4.737  -3.472
  483   2HD1  LEU  63          2HD1      LEU  63   1.076   6.427  -3.245
  484   3HD1  LEU  63          3HD1      LEU  63   0.964   5.344  -1.863
  485   1HD2  LEU  63          1HD2      LEU  63   3.411   5.982  -1.352
  486   2HD2  LEU  63          2HD2      LEU  63   3.365   7.000  -2.792
  487   3HD2  LEU  63          3HD2      LEU  63   4.606   5.757  -2.630
  488    H    LYS  64           H        LYS  64   4.543   1.371  -4.052
  489    HA   LYS  64           HA       LYS  64   4.494  -0.800  -2.022
  490   1HB   LYS  64          2HB       LYS  64   4.632  -1.474  -4.455
  491   2HB   LYS  64          1HB       LYS  64   6.202  -0.662  -4.476
  492   1HG   LYS  64          2HG       LYS  64   6.682  -2.043  -2.357
  493   2HG   LYS  64          1HG       LYS  64   5.348  -3.041  -2.902
  494   1HD   LYS  64          2HD       LYS  64   7.341  -4.016  -3.655
  495   2HD   LYS  64          1HD       LYS  64   6.502  -3.268  -5.040
  496   1HE   LYS  64          2HE       LYS  64   7.965  -1.408  -5.051
  497   2HE   LYS  64          1HE       LYS  64   8.636  -1.849  -3.492
  498   1HZ   LYS  64          1HZ       LYS  64   9.801  -3.700  -4.500
  499   2HZ   LYS  64          2HZ       LYS  64  10.137  -2.331  -5.389
  500   3HZ   LYS  64          3HZ       LYS  64   9.044  -3.450  -5.994
  501    H    VAL  65           H        VAL  65   5.689  -0.169  -0.345
  502    HA   VAL  65           HA       VAL  65   8.085   1.420  -0.918
  503    HB   VAL  65           HB       VAL  65   6.949   0.511   1.761
  504   1HG1  VAL  65          1HG1      VAL  65   8.531   2.111   2.749
  505   2HG1  VAL  65          2HG1      VAL  65   9.172   2.468   1.146
  506   3HG1  VAL  65          3HG1      VAL  65   9.374   0.858   1.836
  507   1HG2  VAL  65          1HG2      VAL  65   6.857   3.214   0.442
  508   2HG2  VAL  65          2HG2      VAL  65   6.282   2.838   2.068
  509   3HG2  VAL  65          3HG2      VAL  65   5.495   2.119   0.662
  510    H    ASP  66           H        ASP  66   9.876   0.262  -1.362
  511    HA   ASP  66           HA       ASP  66   9.707  -2.536  -0.698
  512   1HB   ASP  66          2HB       ASP  66  10.586  -1.615  -2.945
  513   2HB   ASP  66          1HB       ASP  66  12.057  -1.313  -2.004
  514    H    THR  67           H        THR  67  10.316  -3.184   1.009
  515    HA   THR  67           HA       THR  67  11.743  -1.668   2.862
  516    HB   THR  67           HB       THR  67  10.755  -4.409   2.883
  517    HG1  THR  67           1HG      THR  67   9.394  -2.319   2.596
  518   1HG2  THR  67          1HG2      THR  67  12.255  -4.093   4.789
  519   2HG2  THR  67          2HG2      THR  67  10.565  -4.156   5.342
  520   3HG2  THR  67          3HG2      THR  67  11.387  -2.603   5.209
  521    H    ASP  68           H        ASP  68  12.843  -3.689   0.367
  522    HA   ASP  68           HA       ASP  68  15.250  -4.605   1.708
  523   1HB   ASP  68          2HB       ASP  68  14.262  -5.777  -0.253
  524   2HB   ASP  68          1HB       ASP  68  14.568  -4.363  -1.221
  525    H    GLU  69           H        GLU  69  14.121  -2.035  -0.225
  526    HA   GLU  69           HA       GLU  69  16.682  -0.782  -0.631
  527   1HB   GLU  69          2HB       GLU  69  13.879  -0.185  -1.420
  528   2HB   GLU  69          1HB       GLU  69  15.236   0.820  -1.857
  529   1HG   GLU  69          2HG       GLU  69  16.217  -1.126  -3.059
  530   2HG   GLU  69          1HG       GLU  69  14.801  -2.070  -2.608
  531    H    LEU  70           H        LEU  70  13.483   0.213   0.699
  532    HA   LEU  70           HA       LEU  70  14.678   2.423   2.122
  533   1HB   LEU  70          2HB       LEU  70  11.886   1.583   1.409
  534   2HB   LEU  70          1HB       LEU  70  12.235   2.914   2.466
  535    HG   LEU  70           HG       LEU  70  11.681   3.840   0.370
  536   1HD1  LEU  70          1HD1      LEU  70  13.518   4.964   1.380
  537   2HD1  LEU  70          2HD1      LEU  70  13.667   5.005  -0.373
  538   3HD1  LEU  70          3HD1      LEU  70  14.666   3.899   0.567
  539   1HD2  LEU  70          1HD2      LEU  70  11.890   1.867  -1.030
  540   2HD2  LEU  70          2HD2      LEU  70  13.650   1.958  -0.911
  541   3HD2  LEU  70          3HD2      LEU  70  12.759   3.225  -1.750
  542    H    LYS  71           H        LYS  71  15.392   0.060   3.146
  543    HA   LYS  71           HA       LYS  71  13.622  -1.278   4.841
  544   1HB   LYS  71          2HB       LYS  71  15.823  -2.127   4.022
  545   2HB   LYS  71          1HB       LYS  71  16.613  -1.060   5.178
  546   1HG   LYS  71          2HG       LYS  71  15.505  -2.231   7.011
  547   2HG   LYS  71          1HG       LYS  71  14.686  -3.239   5.802
  548   1HD   LYS  71          2HD       LYS  71  16.795  -4.141   5.060
  549   2HD   LYS  71          1HD       LYS  71  17.676  -3.107   6.191
  550   1HE   LYS  71          2HE       LYS  71  16.601  -4.214   8.057
  551   2HE   LYS  71          1HE       LYS  71  15.673  -5.231   6.959
  552   1HZ   LYS  71          1HZ       LYS  71  17.776  -6.198   6.180
  553   2HZ   LYS  71          2HZ       LYS  71  17.599  -6.383   7.843
  554   3HZ   LYS  71          3HZ       LYS  71  18.625  -5.203   7.241
  555    H    SER  72           H        SER  72  15.791   1.459   5.455
  556    HA   SER  72           HA       SER  72  15.379   1.543   8.235
  557   1HB   SER  72          2HB       SER  72  16.332   3.856   7.976
  558   2HB   SER  72          1HB       SER  72  17.323   2.568   7.284
  559    HG   SER  72           HG       SER  72  16.618   4.654   6.058
  560    H    VAL  73           H        VAL  73  13.777   3.032   5.507
  561    HA   VAL  73           HA       VAL  73  12.121   4.802   6.978
  562    HB   VAL  73           HB       VAL  73  11.560   3.575   4.264
  563   1HG1  VAL  73          1HG1      VAL  73   9.571   4.582   5.235
  564   2HG1  VAL  73          2HG1      VAL  73  10.149   5.551   3.881
  565   3HG1  VAL  73          3HG1      VAL  73  10.456   6.078   5.535
  566   1HG2  VAL  73          1HG2      VAL  73  12.535   5.620   3.325
  567   2HG2  VAL  73          2HG2      VAL  73  13.716   4.711   4.270
  568   3HG2  VAL  73          3HG2      VAL  73  12.965   6.157   4.949
  569    H    ALA  74           H        ALA  74  11.636   1.554   5.701
  570    HA   ALA  74           HA       ALA  74   8.997   1.219   6.627
  571   1HB   ALA  74          1HB       ALA  74  10.030  -0.247   4.953
  572   2HB   ALA  74          2HB       ALA  74   9.383  -1.172   6.313
  573   3HB   ALA  74          3HB       ALA  74  11.118  -0.862   6.195
  574    H    SER  75           H        SER  75  12.125   0.478   8.098
  575    HA   SER  75           HA       SER  75  11.108  -0.666  10.460
  576   1HB   SER  75          2HB       SER  75  13.744   0.768  10.020
  577   2HB   SER  75          1HB       SER  75  13.363  -0.298  11.376
  578    HG   SER  75           HG       SER  75  13.636  -0.940   8.637
  579    H    ASP  76           H        ASP  76  11.628   2.632   9.452
  580    HA   ASP  76           HA       ASP  76  11.376   3.931  11.953
  581   1HB   ASP  76          2HB       ASP  76  12.300   4.988   9.907
  582   2HB   ASP  76          1HB       ASP  76  10.703   4.942   9.181
  583    H    TRP  77           H        TRP  77   9.084   2.899   9.504
  584    HA   TRP  77           HA       TRP  77   6.821   3.950  10.878
  585   1HB   TRP  77          2HB       TRP  77   7.140   2.225   8.476
  586   2HB   TRP  77          1HB       TRP  77   5.540   2.537   9.141
  587    HD1  TRP  77           HD       TRP  77   8.483   4.366   7.437
  588    HE1  TRP  77           1HE      TRP  77   7.595   6.514   6.368
  589    HE3  TRP  77           3HE      TRP  77   3.686   4.214   9.196
  590    HZ2  TRP  77           2HZ      TRP  77   5.166   7.966   6.264
  591    HZ3  TRP  77           3HZ      TRP  77   2.143   6.018   8.561
  592    HH2  TRP  77           HH       TRP  77   2.871   7.858   7.125
  593    H    ALA  78           H        ALA  78   8.727   1.670  11.853
  594    HA   ALA  78           HA       ALA  78   8.636   0.002  13.359
  595   1HB   ALA  78          1HB       ALA  78   6.893   1.353  14.476
  596   2HB   ALA  78          2HB       ALA  78   6.616  -0.378  14.677
  597   3HB   ALA  78          3HB       ALA  78   5.661   0.536  13.516
  598    H    ILE  79           H        ILE  79   8.079  -0.388  10.419
  599    HA   ILE  79           HA       ILE  79   6.468  -2.777  10.385
  600    HB   ILE  79           HB       ILE  79   8.201  -1.616   8.181
  601   1HG1  ILE  79          2HG1      ILE  79   6.494   0.007   8.818
  602   2HG1  ILE  79          1HG1      ILE  79   6.107  -0.681   7.250
  603   1HG2  ILE  79          1HG2      ILE  79   7.694  -3.965   7.821
  604   2HG2  ILE  79          2HG2      ILE  79   6.822  -2.966   6.660
  605   3HG2  ILE  79          3HG2      ILE  79   5.973  -3.649   8.043
  606   1HD1  ILE  79          1HD1      ILE  79   4.458  -2.136   8.317
  607   2HD1  ILE  79          2HD1      ILE  79   4.126  -0.427   8.599
  608   3HD1  ILE  79          3HD1      ILE  79   4.838  -1.411   9.880
  609    H    GLN  80           H        GLN  80   7.454  -4.226  11.630
  610    HA   GLN  80           HA       GLN  80  10.214  -4.975  11.016
  611   1HB   GLN  80          2HB       GLN  80   9.593  -4.526  13.380
  612   2HB   GLN  80          1HB       GLN  80   8.437  -5.844  13.301
  613   1HG   GLN  80          2HG       GLN  80  10.253  -7.427  12.938
  614   2HG   GLN  80          1HG       GLN  80  11.418  -6.108  12.965
  615   1HE2  GLN  80          1HE2      GLN  80  12.506  -6.900  14.695
  616   2HE2  GLN  80          2HE2      GLN  80  11.901  -6.885  16.306
  617    H    ALA  81           H        ALA  81   6.933  -6.064  10.930
  618    HA   ALA  81           HA       ALA  81   7.775  -8.649   9.851
  619   1HB   ALA  81          1HB       ALA  81   6.265  -8.787  11.768
  620   2HB   ALA  81          2HB       ALA  81   5.469  -9.374  10.303
  621   3HB   ALA  81          3HB       ALA  81   5.095  -7.770  10.928
  622    H    MET  82           H        MET  82   7.050  -9.282   7.811
  623    HA   MET  82           HA       MET  82   5.646  -7.243   6.271
  624   1HB   MET  82          2HB       MET  82   8.022  -8.899   5.482
  625   2HB   MET  82          1HB       MET  82   7.073  -7.946   4.361
  626   1HG   MET  82          2HG       MET  82   7.715  -5.908   5.505
  627   2HG   MET  82          1HG       MET  82   8.585  -6.848   6.718
  628   1HE   MET  82          1HE       MET  82  11.497  -8.392   4.658
  629   2HE   MET  82          2HE       MET  82   9.929  -9.129   4.946
  630   3HE   MET  82          3HE       MET  82  10.743  -8.252   6.242
  631    HA   PRO  83           HA       PRO  83   4.952  -7.088   4.314
  632   1HB   PRO  83          2HB       PRO  83   2.701  -7.158   2.929
  633   2HB   PRO  83          1HB       PRO  83   4.125  -8.056   2.380
  634   1HG   PRO  83          2HG       PRO  83   1.674  -9.063   3.761
  635   2HG   PRO  83          1HG       PRO  83   2.603  -9.793   2.443
  636   1HD   PRO  83          2HD       PRO  83   2.835 -10.461   5.140
  637   2HD   PRO  83          1HD       PRO  83   4.033 -10.817   3.882
  638    H    THR  84           H        THR  84   3.826  -5.211   4.820
  639    HA   THR  84           HA       THR  84   1.522  -5.549   6.566
  640    HB   THR  84           HB       THR  84   3.570  -3.427   6.681
  641    HG1  THR  84           1HG      THR  84   4.349  -5.348   7.739
  642   1HG2  THR  84          1HG2      THR  84   1.148  -3.860   8.437
  643   2HG2  THR  84          2HG2      THR  84   1.388  -2.544   7.288
  644   3HG2  THR  84          3HG2      THR  84   2.383  -2.637   8.742
  645    H    PHE  85           H        PHE  85  -0.261  -4.642   5.806
  646    HA   PHE  85           HA       PHE  85  -0.039  -2.877   3.508
  647   1HB   PHE  85          2HB       PHE  85  -2.310  -4.498   4.644
  648   2HB   PHE  85          1HB       PHE  85  -2.386  -3.496   3.214
  649    HD1  PHE  85           1HD      PHE  85  -1.184  -6.636   4.644
  650    HD2  PHE  85           2HD      PHE  85  -1.373  -4.234   1.141
  651    HE1  PHE  85           1HE      PHE  85  -0.516  -8.571   3.284
  652    HE2  PHE  85           2HE      PHE  85  -0.699  -6.164  -0.220
  653    HZ   PHE  85           HZ       PHE  85  -0.273  -8.328   0.845
  654    H    MET  86           H        MET  86  -0.396  -0.782   3.986
  655    HA   MET  86           HA       MET  86  -2.028  -0.240   6.353
  656   1HB   MET  86          2HB       MET  86   0.244   0.629   6.554
  657   2HB   MET  86          1HB       MET  86   0.040   1.525   5.048
  658   1HG   MET  86          2HG       MET  86  -1.680   2.899   6.083
  659   2HG   MET  86          1HG       MET  86  -1.559   1.970   7.568
  660   1HE   MET  86          1HE       MET  86   0.327   4.443   5.137
  661   2HE   MET  86          2HE       MET  86   1.467   3.101   5.261
  662   3HE   MET  86          3HE       MET  86   1.858   4.661   5.981
  663    H    PHE  87           H        PHE  87  -3.945   0.521   6.025
  664    HA   PHE  87           HA       PHE  87  -4.663   1.510   3.428
  665   1HB   PHE  87          2HB       PHE  87  -6.140   0.287   5.725
  666   2HB   PHE  87          1HB       PHE  87  -6.906   0.938   4.298
  667    HD1  PHE  87           1HD      PHE  87  -4.905  -1.796   5.682
  668    HD2  PHE  87           2HD      PHE  87  -6.794  -0.278   2.184
  669    HE1  PHE  87           1HE      PHE  87  -4.669  -3.992   4.607
  670    HE2  PHE  87           2HE      PHE  87  -6.554  -2.474   1.098
  671    HZ   PHE  87           HZ       PHE  87  -5.493  -4.333   2.312
  672    H    LEU  88           H        LEU  88  -4.893   3.691   3.390
  673    HA   LEU  88           HA       LEU  88  -6.006   4.861   5.735
  674   1HB   LEU  88          2HB       LEU  88  -4.437   6.800   5.644
  675   2HB   LEU  88          1HB       LEU  88  -3.683   5.288   6.064
  676    HG   LEU  88           HG       LEU  88  -3.474   6.525   3.318
  677   1HD1  LEU  88          1HD1      LEU  88  -1.569   6.671   5.665
  678   2HD1  LEU  88          2HD1      LEU  88  -2.525   8.013   5.038
  679   3HD1  LEU  88          3HD1      LEU  88  -1.261   7.289   4.044
  680   1HD2  LEU  88          1HD2      LEU  88  -2.984   4.110   3.439
  681   2HD2  LEU  88          2HD2      LEU  88  -1.827   4.416   4.730
  682   3HD2  LEU  88          3HD2      LEU  88  -1.527   5.046   3.111
  683    H    LYS  89           H        LYS  89  -6.809   7.137   5.236
  684    HA   LYS  89           HA       LYS  89  -7.658   7.312   2.439
  685   1HB   LYS  89          2HB       LYS  89  -9.476   6.247   3.681
  686   2HB   LYS  89          1HB       LYS  89  -9.446   7.560   4.854
  687   1HG   LYS  89          2HG       LYS  89 -10.141   9.124   3.099
  688   2HG   LYS  89          1HG       LYS  89 -10.185   7.792   1.941
  689   1HD   LYS  89          2HD       LYS  89 -11.890   7.998   4.436
  690   2HD   LYS  89          1HD       LYS  89 -12.430   8.420   2.814
  691   1HE   LYS  89          2HE       LYS  89 -12.025   6.091   2.102
  692   2HE   LYS  89          1HE       LYS  89 -11.509   5.705   3.741
  693   1HZ   LYS  89          1HZ       LYS  89 -13.806   5.057   3.313
  694   2HZ   LYS  89          2HZ       LYS  89 -14.233   6.667   3.018
  695   3HZ   LYS  89          3HZ       LYS  89 -13.705   6.194   4.538
  696    H    GLU  90           H        GLU  90  -7.334   9.230   1.642
  697    HA   GLU  90           HA       GLU  90  -6.907  11.292   1.350
  698   1HB   GLU  90          2HB       GLU  90  -7.993  11.748   4.103
  699   2HB   GLU  90          1HB       GLU  90  -7.626  13.066   3.006
  700   1HG   GLU  90          2HG       GLU  90  -9.363  12.223   1.481
  701   2HG   GLU  90          1HG       GLU  90  -9.734  10.936   2.623
  702    H    GLY  91           H        GLY  91  -5.155   9.464   2.990
  703   1HA   GLY  91          2HA       GLY  91  -2.875   9.683   3.634
  704   2HA   GLY  91          1HA       GLY  91  -3.129  11.417   3.815
  705    H    LYS  92           H        LYS  92  -5.693   9.999   5.264
  706    HA   LYS  92           HA       LYS  92  -4.586  10.279   7.967
  707   1HB   LYS  92          2HB       LYS  92  -7.414   9.817   6.993
  708   2HB   LYS  92          1HB       LYS  92  -6.929  10.318   8.605
  709   1HG   LYS  92          2HG       LYS  92  -6.293  12.466   7.836
  710   2HG   LYS  92          1HG       LYS  92  -6.442  11.972   6.146
  711   1HD   LYS  92          2HD       LYS  92  -8.859  11.621   6.499
  712   2HD   LYS  92          1HD       LYS  92  -8.682  12.184   8.161
  713   1HE   LYS  92          2HE       LYS  92  -7.953  14.353   7.372
  714   2HE   LYS  92          1HE       LYS  92  -7.997  13.787   5.706
  715   1HZ   LYS  92          1HZ       LYS  92 -10.336  13.500   5.849
  716   2HZ   LYS  92          2HZ       LYS  92  -9.963  15.085   6.317
  717   3HZ   LYS  92          3HZ       LYS  92 -10.370  13.927   7.481
  718    H    ILE  93           H        ILE  93  -4.324   8.409   9.182
  719    HA   ILE  93           HA       ILE  93  -4.460   5.959   7.709
  720    HB   ILE  93           HB       ILE  93  -3.569   6.395  10.573
  721   1HG1  ILE  93          2HG1      ILE  93  -1.970   6.185   8.008
  722   2HG1  ILE  93          1HG1      ILE  93  -2.243   7.662   8.924
  723   1HG2  ILE  93          1HG2      ILE  93  -3.151   4.053   8.694
  724   2HG2  ILE  93          2HG2      ILE  93  -4.188   4.053  10.121
  725   3HG2  ILE  93          3HG2      ILE  93  -2.438   4.214  10.298
  726   1HD1  ILE  93          1HD1      ILE  93  -0.030   6.772   9.337
  727   2HD1  ILE  93          2HD1      ILE  93  -0.727   5.236   9.847
  728   3HD1  ILE  93          3HD1      ILE  93  -1.003   6.686  10.808
  729    H    LEU  94           H        LEU  94  -5.898   4.378   7.771
  730    HA   LEU  94           HA       LEU  94  -8.099   4.642   9.647
  731   1HB   LEU  94          2HB       LEU  94  -7.835   3.168   7.055
  732   2HB   LEU  94          1HB       LEU  94  -9.245   3.088   8.066
  733    HG   LEU  94           HG       LEU  94  -8.213   5.526   6.616
  734   1HD1  LEU  94          1HD1      LEU  94 -10.668   3.832   6.242
  735   2HD1  LEU  94          2HD1      LEU  94  -9.276   3.922   5.155
  736   3HD1  LEU  94          3HD1      LEU  94 -10.318   5.328   5.387
  737   1HD2  LEU  94          1HD2      LEU  94 -10.642   5.225   8.389
  738   2HD2  LEU  94          2HD2      LEU  94 -10.249   6.638   7.412
  739   3HD2  LEU  94          3HD2      LEU  94  -9.203   6.180   8.753
  740    H    ASP  95           H        ASP  95  -6.209   2.050   8.010
  741    HA   ASP  95           HA       ASP  95  -5.927   0.667  10.482
  742   1HB   ASP  95          2HB       ASP  95  -6.903  -1.366   9.573
  743   2HB   ASP  95          1HB       ASP  95  -8.105  -0.169  10.037
  744    H    LYS  96           H        LYS  96  -4.640  -1.168  10.286
  745    HA   LYS  96           HA       LYS  96  -3.352  -1.532   7.733
  746   1HB   LYS  96          2HB       LYS  96  -1.048  -1.425   8.624
  747   2HB   LYS  96          1HB       LYS  96  -1.870   0.103   8.806
  748   1HG   LYS  96          2HG       LYS  96  -0.592  -0.172  10.767
  749   2HG   LYS  96          1HG       LYS  96  -2.237  -0.571  11.250
  750   1HD   LYS  96          2HD       LYS  96  -1.713  -2.960  11.069
  751   2HD   LYS  96          1HD       LYS  96  -0.086  -2.574  10.521
  752   1HE   LYS  96          2HE       LYS  96  -1.259  -1.876  13.218
  753   2HE   LYS  96          1HE       LYS  96  -0.135  -3.192  12.898
  754   1HZ   LYS  96          1HZ       LYS  96   0.461  -0.291  12.560
  755   2HZ   LYS  96          2HZ       LYS  96   1.536  -1.552  12.242
  756   3HZ   LYS  96          3HZ       LYS  96   0.990  -1.289  13.803
  757    H    VAL  97           H        VAL  97  -2.506  -3.516   7.358
  758    HA   VAL  97           HA       VAL  97  -3.231  -5.558   9.355
  759    HB   VAL  97           HB       VAL  97  -3.140  -5.863   6.331
  760   1HG1  VAL  97          1HG1      VAL  97  -4.163  -8.063   6.711
  761   2HG1  VAL  97          2HG1      VAL  97  -4.044  -7.809   8.450
  762   3HG1  VAL  97          3HG1      VAL  97  -2.578  -7.937   7.476
  763   1HG2  VAL  97          1HG2      VAL  97  -5.587  -6.072   6.446
  764   2HG2  VAL  97          2HG2      VAL  97  -5.042  -4.495   7.018
  765   3HG2  VAL  97          3HG2      VAL  97  -5.528  -5.734   8.176
  766    H    VAL  98           H        VAL  98  -1.502  -6.534  10.185
  767    HA   VAL  98           HA       VAL  98   0.948  -6.456   8.627
  768    HB   VAL  98           HB       VAL  98   1.102  -5.338  10.795
  769   1HG1  VAL  98          1HG1      VAL  98   0.438  -7.991  12.041
  770   2HG1  VAL  98          2HG1      VAL  98  -0.533  -6.519  12.092
  771   3HG1  VAL  98          3HG1      VAL  98   1.025  -6.576  12.912
  772   1HG2  VAL  98          1HG2      VAL  98   3.103  -6.472  11.676
  773   2HG2  VAL  98          2HG2      VAL  98   3.117  -6.348   9.916
  774   3HG2  VAL  98          3HG2      VAL  98   2.716  -7.881  10.690
  775    H    GLY  99           H        GLY  99   1.569  -8.193   7.656
  776   1HA   GLY  99          2HA       GLY  99   2.299 -10.454   7.730
  777   2HA   GLY  99          1HA       GLY  99   0.991 -10.787   8.870
  778    H    ALA 100           H        ALA 100   1.671 -11.966   6.193
  779    HA   ALA 100           HA       ALA 100  -0.517 -11.109   4.483
  780   1HB   ALA 100          1HB       ALA 100   1.570 -11.975   3.505
  781   2HB   ALA 100          2HB       ALA 100   0.177 -12.953   3.042
  782   3HB   ALA 100          3HB       ALA 100   1.283 -13.529   4.289
  783    H    LYS 101           H        LYS 101  -2.414 -11.447   5.269
  784    HA   LYS 101           HA       LYS 101  -3.145 -14.151   6.013
  785   1HB   LYS 101          2HB       LYS 101  -4.163 -11.514   6.983
  786   2HB   LYS 101          1HB       LYS 101  -4.899 -13.072   7.380
  787   1HG   LYS 101          2HG       LYS 101  -2.853 -13.728   8.516
  788   2HG   LYS 101          1HG       LYS 101  -2.094 -12.187   8.076
  789   1HD   LYS 101          2HD       LYS 101  -2.774 -12.162  10.262
  790   2HD   LYS 101          1HD       LYS 101  -3.866 -11.110   9.333
  791   1HE   LYS 101          2HE       LYS 101  -5.536 -12.969   9.326
  792   2HE   LYS 101          1HE       LYS 101  -4.438 -13.912  10.321
  793   1HZ   LYS 101          1HZ       LYS 101  -6.102 -12.939  11.686
  794   2HZ   LYS 101          2HZ       LYS 101  -5.839 -11.400  11.114
  795   3HZ   LYS 101          3HZ       LYS 101  -4.643 -12.183  12.050
  796    H    LYS 102           H        LYS 102  -4.366 -14.896   4.218
  797    HA   LYS 102           HA       LYS 102  -5.230 -13.061   2.294
  798   1HB   LYS 102          2HB       LYS 102  -4.448 -15.335   1.781
  799   2HB   LYS 102          1HB       LYS 102  -5.864 -15.974   2.609
  800   1HG   LYS 102          2HG       LYS 102  -7.309 -14.974   0.991
  801   2HG   LYS 102          1HG       LYS 102  -5.927 -14.208   0.204
  802   1HD   LYS 102          2HD       LYS 102  -6.636 -16.211  -1.048
  803   2HD   LYS 102          1HD       LYS 102  -5.021 -16.417  -0.378
  804   1HE   LYS 102          2HE       LYS 102  -5.946 -17.750   1.459
  805   2HE   LYS 102          1HE       LYS 102  -7.571 -17.505   0.827
  806   1HZ   LYS 102          1HZ       LYS 102  -6.689 -19.648   0.197
  807   2HZ   LYS 102          2HZ       LYS 102  -5.381 -18.911  -0.596
  808   3HZ   LYS 102          3HZ       LYS 102  -6.942 -18.683  -1.163
  809    H    ASP 103           H        ASP 103  -7.056 -15.112   4.568
  810    HA   ASP 103           HA       ASP 103  -9.616 -14.189   3.799
  811   1HB   ASP 103          2HB       ASP 103  -9.401 -16.258   5.060
  812   2HB   ASP 103          1HB       ASP 103  -8.714 -15.392   6.429
  813    H    GLU 104           H        GLU 104  -7.433 -13.120   6.298
  814    HA   GLU 104           HA       GLU 104  -9.057 -11.140   7.514
  815   1HB   GLU 104          2HB       GLU 104  -6.935 -11.994   8.413
  816   2HB   GLU 104          1HB       GLU 104  -6.081 -11.189   7.100
  817   1HG   GLU 104          2HG       GLU 104  -5.805  -9.833   9.001
  818   2HG   GLU 104          1HG       GLU 104  -7.027  -9.033   8.009
  819    H    LEU 105           H        LEU 105  -6.772 -10.972   4.827
  820    HA   LEU 105           HA       LEU 105  -6.928  -8.235   4.368
  821   1HB   LEU 105          2HB       LEU 105  -5.373  -9.923   3.327
  822   2HB   LEU 105          1HB       LEU 105  -6.687 -10.376   2.307
  823    HG   LEU 105           HG       LEU 105  -6.840  -8.177   1.321
  824   1HD1  LEU 105          1HD1      LEU 105  -5.071  -6.499   1.717
  825   2HD1  LEU 105          2HD1      LEU 105  -4.424  -7.506   3.015
  826   3HD1  LEU 105          3HD1      LEU 105  -6.035  -6.804   3.159
  827   1HD2  LEU 105          1HD2      LEU 105  -5.430  -9.838   0.249
  828   2HD2  LEU 105          2HD2      LEU 105  -4.056  -9.325   1.224
  829   3HD2  LEU 105          3HD2      LEU 105  -4.753  -8.226   0.036
  830    H    GLN 106           H        GLN 106  -8.726 -10.902   3.095
  831    HA   GLN 106           HA       GLN 106 -10.486  -9.450   1.398
  832   1HB   GLN 106          2HB       GLN 106 -11.223 -12.001   2.861
  833   2HB   GLN 106          1HB       GLN 106 -12.012 -11.354   1.436
  834   1HG   GLN 106          2HG       GLN 106  -9.234 -12.493   1.617
  835   2HG   GLN 106          1HG       GLN 106 -10.627 -13.212   0.823
  836   1HE2  GLN 106          1HE2      GLN 106  -8.147 -10.871   0.654
  837   2HE2  GLN 106          2HE2      GLN 106  -8.359 -10.434  -1.005
  838    H    SER 107           H        SER 107 -10.650 -10.109   4.853
  839    HA   SER 107           HA       SER 107 -13.297  -9.135   5.159
  840   1HB   SER 107          2HB       SER 107 -12.200 -10.642   6.783
  841   2HB   SER 107          1HB       SER 107 -11.047  -9.372   7.184
  842    HG   SER 107           HG       SER 107 -13.539  -9.791   8.091
  843    H    THR 108           H        THR 108 -10.076  -7.719   5.558
  844    HA   THR 108           HA       THR 108 -10.879  -5.109   6.266
  845    HB   THR 108           HB       THR 108  -8.396  -6.037   4.789
  846    HG1  THR 108           1HG      THR 108  -7.560  -5.975   7.015
  847   1HG2  THR 108          1HG2      THR 108  -7.348  -4.047   5.772
  848   2HG2  THR 108          2HG2      THR 108  -8.874  -3.608   6.529
  849   3HG2  THR 108          3HG2      THR 108  -8.726  -3.585   4.769
  850    H    ILE 109           H        ILE 109 -10.423  -6.669   3.098
  851    HA   ILE 109           HA       ILE 109 -10.764  -4.311   1.619
  852    HB   ILE 109           HB       ILE 109 -11.437  -7.156   0.790
  853   1HG1  ILE 109          2HG1      ILE 109  -8.995  -5.449   0.248
  854   2HG1  ILE 109          1HG1      ILE 109  -9.072  -6.787   1.387
  855   1HG2  ILE 109          1HG2      ILE 109 -11.330  -6.270  -1.525
  856   2HG2  ILE 109          2HG2      ILE 109 -11.113  -4.644  -0.849
  857   3HG2  ILE 109          3HG2      ILE 109 -12.619  -5.510  -0.577
  858   1HD1  ILE 109          1HD1      ILE 109  -9.435  -6.978  -1.592
  859   2HD1  ILE 109          2HD1      ILE 109  -9.484  -8.329  -0.455
  860   3HD1  ILE 109          3HD1      ILE 109  -7.991  -7.416  -0.684
  861    H    ALA 110           H        ALA 110 -13.096  -6.689   2.822
  862    HA   ALA 110           HA       ALA 110 -15.368  -5.472   1.655
  863   1HB   ALA 110          1HB       ALA 110 -15.370  -7.768   2.547
  864   2HB   ALA 110          2HB       ALA 110 -16.674  -6.791   3.222
  865   3HB   ALA 110          3HB       ALA 110 -15.229  -7.121   4.182
  866    H    LYS 111           H        LYS 111 -13.629  -4.810   4.713
  867    HA   LYS 111           HA       LYS 111 -15.434  -3.157   5.849
  868   1HB   LYS 111          2HB       LYS 111 -12.630  -3.758   5.822
  869   2HB   LYS 111          1HB       LYS 111 -13.032  -2.393   6.783
  870   1HG   LYS 111          2HG       LYS 111 -14.645  -3.975   8.012
  871   2HG   LYS 111          1HG       LYS 111 -13.922  -5.263   7.044
  872   1HD   LYS 111          2HD       LYS 111 -11.742  -4.813   8.032
  873   2HD   LYS 111          1HD       LYS 111 -12.412  -3.452   8.926
  874   1HE   LYS 111          2HE       LYS 111 -12.164  -5.412  10.343
  875   2HE   LYS 111          1HE       LYS 111 -13.857  -4.964  10.170
  876   1HZ   LYS 111          1HZ       LYS 111 -13.533  -7.339  10.019
  877   2HZ   LYS 111          2HZ       LYS 111 -12.484  -7.200   8.738
  878   3HZ   LYS 111          3HZ       LYS 111 -14.113  -6.773   8.556
  879    H    HIS 112           H        HIS 112 -13.016  -2.672   3.328
  880    HA   HIS 112           HA       HIS 112 -13.373   0.188   3.321
  881   1HB   HIS 112          2HB       HIS 112 -11.546  -1.706   1.898
  882   2HB   HIS 112          1HB       HIS 112 -11.727  -0.047   1.368
  883    HD1  HIS 112           1HD      HIS 112 -10.291   1.622   2.513
  884    HD2  HIS 112           2HD      HIS 112 -10.514  -1.933   4.626
  885    HE1  HIS 112           1HE      HIS 112  -8.694   1.899   4.400
  886    HE2  HIS 112           2HE      HIS 112  -9.009  -0.159   5.820
  887    H    LEU 113           H        LEU 113 -14.597  -2.622   1.554
  888    HA   LEU 113           HA       LEU 113 -15.108  -1.397  -0.867
  889   1HB   LEU 113          2HB       LEU 113 -14.872  -3.822  -0.168
  890   2HB   LEU 113          1HB       LEU 113 -16.493  -3.639   0.457
  891    HG   LEU 113           HG       LEU 113 -16.320  -4.801  -1.601
  892   1HD1  LEU 113          1HD1      LEU 113 -17.860  -2.198  -1.852
  893   2HD1  LEU 113          2HD1      LEU 113 -18.457  -3.694  -1.143
  894   3HD1  LEU 113          3HD1      LEU 113 -18.140  -3.603  -2.878
  895   1HD2  LEU 113          1HD2      LEU 113 -14.490  -3.729  -2.676
  896   2HD2  LEU 113          2HD2      LEU 113 -15.384  -2.215  -2.810
  897   3HD2  LEU 113          3HD2      LEU 113 -15.886  -3.621  -3.747
  898    H    ALA 114           H        ALA 114 -16.419   0.270  -1.087
  899    HA   ALA 114           HA       ALA 114 -19.136   0.071  -0.162
  900   1HB   ALA 114          1HB       ALA 114 -18.046   1.359   1.629
  901   2HB   ALA 114          2HB       ALA 114 -19.131   2.392   0.699
  902   3HB   ALA 114          3HB       ALA 114 -17.390   2.479   0.435
  Start of MODEL   20
    1    H    MET   1           H        MET   1 -12.408   6.203 -21.000
    2    HA   MET   1           HA       MET   1 -11.107   3.659 -21.594
    3   1HB   MET   1          2HB       MET   1  -9.959   6.376 -20.896
    4   2HB   MET   1          1HB       MET   1  -9.011   4.960 -21.302
    5   1HG   MET   1          2HG       MET   1  -9.987   4.955 -23.547
    6   2HG   MET   1          1HG       MET   1 -10.934   6.379 -23.127
    7   1HE   MET   1          1HE       MET   1 -10.029   7.594 -25.258
    8   2HE   MET   1          2HE       MET   1  -9.061   6.182 -25.685
    9   3HE   MET   1          3HE       MET   1  -8.322   7.782 -25.648
   10    H    ALA   2           H        ALA   2  -9.206   3.381 -19.863
   11    HA   ALA   2           HA       ALA   2 -10.583   3.163 -17.330
   12   1HB   ALA   2          1HB       ALA   2  -8.645   1.826 -16.654
   13   2HB   ALA   2          2HB       ALA   2  -7.842   2.219 -18.174
   14   3HB   ALA   2          3HB       ALA   2  -9.310   1.242 -18.181
   15    H    SER   3           H        SER   3  -9.165   3.681 -15.367
   16    HA   SER   3           HA       SER   3  -8.161   6.401 -15.681
   17   1HB   SER   3          2HB       SER   3  -9.860   5.715 -13.884
   18   2HB   SER   3          1HB       SER   3  -8.586   4.731 -13.184
   19    HG   SER   3           HG       SER   3  -9.004   7.416 -13.110
   20    H    GLU   4           H        GLU   4  -6.176   6.531 -13.820
   21    HA   GLU   4           HA       GLU   4  -4.248   4.668 -14.874
   22   1HB   GLU   4          2HB       GLU   4  -3.644   7.084 -14.420
   23   2HB   GLU   4          1HB       GLU   4  -3.809   6.744 -12.701
   24   1HG   GLU   4          2HG       GLU   4  -1.477   6.714 -13.460
   25   2HG   GLU   4          1HG       GLU   4  -1.997   5.158 -12.806
   26    H    GLU   5           H        GLU   5  -5.164   2.849 -14.222
   27    HA   GLU   5           HA       GLU   5  -5.224   2.220 -11.351
   28   1HB   GLU   5          2HB       GLU   5  -7.279   0.948 -11.831
   29   2HB   GLU   5          1HB       GLU   5  -7.447   2.664 -12.201
   30   1HG   GLU   5          2HG       GLU   5  -7.054   2.190 -14.575
   31   2HG   GLU   5          1HG       GLU   5  -6.959   0.474 -14.203
   32    H    GLY   6           H        GLY   6  -5.416  -0.219 -11.126
   33   1HA   GLY   6          2HA       GLY   6  -4.702  -2.367 -11.576
   34   2HA   GLY   6          1HA       GLY   6  -4.518  -1.888 -13.261
   35    H    GLN   7           H        GLN   7  -2.886   0.091 -11.035
   36    HA   GLN   7           HA       GLN   7  -0.469  -1.445 -11.286
   37   1HB   GLN   7          2HB       GLN   7   0.805   0.542 -11.987
   38   2HB   GLN   7          1HB       GLN   7  -0.274  -0.100 -13.198
   39   1HG   GLN   7          2HG       GLN   7  -0.491   2.258 -13.376
   40   2HG   GLN   7          1HG       GLN   7  -1.893   1.781 -12.429
   41   1HE2  GLN   7          1HE2      GLN   7  -2.117   3.794 -11.430
   42   2HE2  GLN   7          2HE2      GLN   7  -0.979   4.367 -10.275
   43    H    VAL   8           H        VAL   8   1.056  -0.931  -9.967
   44    HA   VAL   8           HA       VAL   8   0.206   0.487  -7.512
   45    HB   VAL   8           HB       VAL   8   1.922  -2.009  -7.709
   46   1HG1  VAL   8          1HG1      VAL   8   1.754  -2.072  -5.271
   47   2HG1  VAL   8          2HG1      VAL   8   0.920  -0.518  -5.298
   48   3HG1  VAL   8          3HG1      VAL   8   2.596  -0.629  -5.835
   49   1HG2  VAL   8          1HG2      VAL   8   0.065  -3.155  -6.620
   50   2HG2  VAL   8          2HG2      VAL   8  -0.403  -2.469  -8.179
   51   3HG2  VAL   8          3HG2      VAL   8  -0.886  -1.667  -6.683
   52    H    ILE   9           H        ILE   9   1.635   2.039  -6.737
   53    HA   ILE   9           HA       ILE   9   3.912   2.547  -8.386
   54    HB   ILE   9           HB       ILE   9   2.829   4.031  -5.976
   55   1HG1  ILE   9          2HG1      ILE   9   2.470   5.864  -7.716
   56   2HG1  ILE   9          1HG1      ILE   9   2.785   4.650  -8.929
   57   1HG2  ILE   9          1HG2      ILE   9   5.225   4.332  -6.006
   58   2HG2  ILE   9          2HG2      ILE   9   4.438   5.833  -6.504
   59   3HG2  ILE   9          3HG2      ILE   9   5.180   4.789  -7.707
   60   1HD1  ILE   9          1HD1      ILE   9   0.403   4.993  -8.644
   61   2HD1  ILE   9          2HD1      ILE   9   0.535   4.598  -6.929
   62   3HD1  ILE   9          3HD1      ILE   9   0.856   3.362  -8.149
   63    H    ALA  10           H        ALA  10   5.757   1.557  -8.018
   64    HA   ALA  10           HA       ALA  10   6.268   0.506  -5.339
   65   1HB   ALA  10          1HB       ALA  10   7.703  -0.024  -7.941
   66   2HB   ALA  10          2HB       ALA  10   6.512  -1.081  -7.178
   67   3HB   ALA  10          3HB       ALA  10   8.063  -0.789  -6.396
   68    H    CYS  11           H        CYS  11   7.217   1.994  -4.075
   69    HA   CYS  11           HA       CYS  11   8.985   3.908  -5.238
   70   1HB   CYS  11          2HB       CYS  11   8.287   3.500  -2.346
   71   2HB   CYS  11          1HB       CYS  11   8.999   4.882  -3.118
   72    HG   CYS  11           HG       CYS  11   6.285   5.455  -2.442
   73    H    HIS  12           H        HIS  12  11.014   3.414  -5.489
   74    HA   HIS  12           HA       HIS  12  12.278   1.674  -3.502
   75   1HB   HIS  12          2HB       HIS  12  13.056   2.188  -6.388
   76   2HB   HIS  12          1HB       HIS  12  14.081   1.349  -5.232
   77    HD1  HIS  12           1HD      HIS  12  13.680  -1.098  -4.906
   78    HD2  HIS  12           2HD      HIS  12  10.632   0.744  -7.058
   79    HE1  HIS  12           1HE      HIS  12  12.188  -2.967  -5.727
   80    HE2  HIS  12           2HE      HIS  12  10.507  -1.840  -7.201
   81    H    THR  13           H        THR  13  11.638   4.677  -3.831
   82    HA   THR  13           HA       THR  13  14.207   5.585  -2.851
   83    HB   THR  13           HB       THR  13  13.909   7.718  -4.146
   84    HG1  THR  13           1HG      THR  13  12.478   7.636  -5.968
   85   1HG2  THR  13          1HG2      THR  13  14.678   6.831  -6.330
   86   2HG2  THR  13          2HG2      THR  13  14.189   5.213  -5.813
   87   3HG2  THR  13          3HG2      THR  13  15.488   6.052  -4.971
   88    H    VAL  14           H        VAL  14  13.963   7.454  -1.516
   89    HA   VAL  14           HA       VAL  14  11.506   7.510  -0.057
   90    HB   VAL  14           HB       VAL  14  13.805   9.438   0.100
   91   1HG1  VAL  14          1HG1      VAL  14  11.727   8.696   2.156
   92   2HG1  VAL  14          2HG1      VAL  14  11.818  10.214   1.270
   93   3HG1  VAL  14          3HG1      VAL  14  13.082   9.792   2.430
   94   1HG2  VAL  14          1HG2      VAL  14  14.694   7.217   0.362
   95   2HG2  VAL  14          2HG2      VAL  14  13.449   6.827   1.544
   96   3HG2  VAL  14          3HG2      VAL  14  14.687   8.025   1.932
   97    H    GLU  15           H        GLU  15  12.991   9.299  -2.660
   98    HA   GLU  15           HA       GLU  15  11.641  11.639  -2.677
   99   1HB   GLU  15          2HB       GLU  15  12.718   9.850  -4.811
  100   2HB   GLU  15          1HB       GLU  15  12.179  11.496  -5.073
  101   1HG   GLU  15          2HG       GLU  15  14.352  10.716  -3.160
  102   2HG   GLU  15          1HG       GLU  15  14.631  11.250  -4.818
  103    H    THR  16           H        THR  16  10.814   8.540  -4.354
  104    HA   THR  16           HA       THR  16   8.380   9.556  -5.382
  105    HB   THR  16           HB       THR  16   9.180   6.650  -4.961
  106    HG1  THR  16           1HG      THR  16   9.760   8.580  -6.940
  107   1HG2  THR  16          1HG2      THR  16   6.793   7.001  -5.520
  108   2HG2  THR  16          2HG2      THR  16   7.660   6.226  -6.844
  109   3HG2  THR  16          3HG2      THR  16   7.273   7.945  -6.931
  110    H    TRP  17           H        TRP  17   9.281   7.791  -2.498
  111    HA   TRP  17           HA       TRP  17   6.775   7.140  -1.474
  112   1HB   TRP  17          2HB       TRP  17   8.795   6.237  -0.545
  113   2HB   TRP  17          1HB       TRP  17   9.382   7.841  -0.134
  114    HD1  TRP  17           HD       TRP  17   9.053   8.508   2.296
  115    HE1  TRP  17           1HE      TRP  17   7.630   7.694   4.256
  116    HE3  TRP  17           3HE      TRP  17   6.224   5.062  -0.167
  117    HZ2  TRP  17           2HZ      TRP  17   5.560   5.830   4.711
  118    HZ3  TRP  17           3HZ      TRP  17   4.539   3.816   1.097
  119    HH2  TRP  17           HH       TRP  17   4.211   4.190   3.489
  120    H    ASN  18           H        ASN  18   8.755  10.006  -0.818
  121    HA   ASN  18           HA       ASN  18   6.878  11.364   0.789
  122   1HB   ASN  18          2HB       ASN  18   9.348  11.833   0.667
  123   2HB   ASN  18          1HB       ASN  18   9.098  12.511  -0.928
  124   1HD2  ASN  18          1HD2      ASN  18  10.204  13.711   1.480
  125   2HD2  ASN  18          2HD2      ASN  18   9.261  15.105   1.805
  126    H    GLU  19           H        GLU  19   7.596  11.460  -2.646
  127    HA   GLU  19           HA       GLU  19   6.006  13.535  -3.553
  128   1HB   GLU  19          2HB       GLU  19   7.663  12.386  -4.896
  129   2HB   GLU  19          1HB       GLU  19   6.720  10.911  -4.835
  130   1HG   GLU  19          2HG       GLU  19   4.947  12.030  -6.115
  131   2HG   GLU  19          1HG       GLU  19   5.967  13.470  -6.218
  132    H    GLN  20           H        GLN  20   5.120  10.027  -3.231
  133    HA   GLN  20           HA       GLN  20   2.604  10.407  -4.284
  134   1HB   GLN  20          2HB       GLN  20   3.925   8.297  -2.762
  135   2HB   GLN  20          1HB       GLN  20   2.282   8.126  -3.347
  136   1HG   GLN  20          2HG       GLN  20   4.816   8.439  -4.970
  137   2HG   GLN  20          1HG       GLN  20   3.791   7.007  -4.874
  138   1HE2  GLN  20          1HE2      GLN  20   4.245  10.115  -6.325
  139   2HE2  GLN  20          2HE2      GLN  20   2.958  10.006  -7.450
  140    H    LEU  21           H        LEU  21   3.809  10.232  -0.865
  141    HA   LEU  21           HA       LEU  21   1.275  10.045   0.218
  142   1HB   LEU  21          2HB       LEU  21   3.901  10.930   1.153
  143   2HB   LEU  21          1HB       LEU  21   2.528  10.780   2.210
  144    HG   LEU  21           HG       LEU  21   3.966   8.569   0.732
  145   1HD1  LEU  21          1HD1      LEU  21   4.538   7.794   2.970
  146   2HD1  LEU  21          2HD1      LEU  21   3.714   9.192   3.660
  147   3HD1  LEU  21          3HD1      LEU  21   5.148   9.418   2.660
  148   1HD2  LEU  21          1HD2      LEU  21   1.565   8.074   0.826
  149   2HD2  LEU  21          2HD2      LEU  21   1.565   8.376   2.563
  150   3HD2  LEU  21          3HD2      LEU  21   2.467   7.012   1.906
  151    H    GLN  22           H        GLN  22   3.452  12.750  -0.321
  152    HA   GLN  22           HA       GLN  22   1.812  14.653   0.866
  153   1HB   GLN  22          2HB       GLN  22   4.164  15.081   0.264
  154   2HB   GLN  22          1HB       GLN  22   3.741  15.014  -1.438
  155   1HG   GLN  22          2HG       GLN  22   2.323  16.996  -1.152
  156   2HG   GLN  22          1HG       GLN  22   2.774  17.060   0.548
  157   1HE2  GLN  22          1HE2      GLN  22   3.182  18.999  -1.584
  158   2HE2  GLN  22          2HE2      GLN  22   4.871  19.288  -1.680
  159    H    LYS  23           H        LYS  23   1.941  13.353  -2.401
  160    HA   LYS  23           HA       LYS  23   0.056  14.986  -3.685
  161   1HB   LYS  23          2HB       LYS  23   1.580  13.348  -4.798
  162   2HB   LYS  23          1HB       LYS  23   0.609  12.051  -4.141
  163   1HG   LYS  23          2HG       LYS  23  -1.329  12.869  -5.431
  164   2HG   LYS  23          1HG       LYS  23  -0.303  14.126  -6.123
  165   1HD   LYS  23          2HD       LYS  23   1.182  12.377  -7.038
  166   2HD   LYS  23          1HD       LYS  23   0.087  11.144  -6.406
  167   1HE   LYS  23          2HE       LYS  23  -1.724  12.094  -7.795
  168   2HE   LYS  23          1HE       LYS  23  -0.580  13.258  -8.447
  169   1HZ   LYS  23          1HZ       LYS  23   0.713  11.372  -9.342
  170   2HZ   LYS  23          2HZ       LYS  23  -0.840  11.428  -9.964
  171   3HZ   LYS  23          3HZ       LYS  23  -0.470  10.300  -8.789
  172    H    ALA  24           H        ALA  24  -0.326  11.934  -1.851
  173    HA   ALA  24           HA       ALA  24  -3.109  11.764  -2.355
  174   1HB   ALA  24          1HB       ALA  24  -1.453  10.367  -0.257
  175   2HB   ALA  24          2HB       ALA  24  -1.733   9.792  -1.903
  176   3HB   ALA  24          3HB       ALA  24  -3.079   9.920  -0.771
  177    H    ASN  25           H        ASN  25  -1.172  13.021   0.275
  178    HA   ASN  25           HA       ASN  25  -3.258  13.375   2.175
  179   1HB   ASN  25          2HB       ASN  25  -0.702  13.485   2.525
  180   2HB   ASN  25          1HB       ASN  25  -0.820  15.066   1.863
  181   1HD2  ASN  25          1HD2      ASN  25  -1.557  16.790   3.019
  182   2HD2  ASN  25          2HD2      ASN  25  -2.039  16.692   4.668
  183    H    GLU  26           H        GLU  26  -1.656  15.501  -0.001
  184    HA   GLU  26           HA       GLU  26  -2.982  17.939   0.456
  185   1HB   GLU  26          2HB       GLU  26  -0.896  17.670  -0.808
  186   2HB   GLU  26          1HB       GLU  26  -1.785  16.893  -2.094
  187   1HG   GLU  26          2HG       GLU  26  -3.052  18.996  -2.414
  188   2HG   GLU  26          1HG       GLU  26  -1.992  19.752  -1.220
  189    H    SER  27           H        SER  27  -3.724  15.378  -1.909
  190    HA   SER  27           HA       SER  27  -5.982  16.888  -2.905
  191   1HB   SER  27          2HB       SER  27  -4.762  14.291  -3.757
  192   2HB   SER  27          1HB       SER  27  -6.038  15.154  -4.613
  193    HG   SER  27           HG       SER  27  -3.371  15.533  -4.637
  194    H    LYS  28           H        LYS  28  -5.638  15.120  -0.273
  195    HA   LYS  28           HA       LYS  28  -6.759  13.606   0.921
  196   1HB   LYS  28          2HB       LYS  28  -8.965  15.027  -0.400
  197   2HB   LYS  28          1HB       LYS  28  -9.308  13.789   0.802
  198   1HG   LYS  28          2HG       LYS  28  -7.871  15.184   2.378
  199   2HG   LYS  28          1HG       LYS  28  -7.966  16.459   1.155
  200   1HD   LYS  28          2HD       LYS  28 -10.379  16.449   1.275
  201   2HD   LYS  28          1HD       LYS  28 -10.348  15.098   2.404
  202   1HE   LYS  28          2HE       LYS  28  -9.097  16.549   3.996
  203   2HE   LYS  28          1HE       LYS  28  -9.305  17.881   2.864
  204   1HZ   LYS  28          1HZ       LYS  28 -11.505  16.396   4.205
  205   2HZ   LYS  28          2HZ       LYS  28 -11.706  17.646   3.099
  206   3HZ   LYS  28          3HZ       LYS  28 -10.963  17.945   4.572
  207    H    THR  29           H        THR  29  -5.686  12.327  -1.007
  208    HA   THR  29           HA       THR  29  -7.753  10.677  -2.168
  209    HB   THR  29           HB       THR  29  -4.829  10.507  -2.732
  210    HG1  THR  29           1HG      THR  29  -6.879  12.155  -3.911
  211   1HG2  THR  29          1HG2      THR  29  -5.634   9.631  -4.895
  212   2HG2  THR  29          2HG2      THR  29  -7.295   9.834  -4.334
  213   3HG2  THR  29          3HG2      THR  29  -6.224   8.689  -3.526
  214    H    LEU  30           H        LEU  30  -7.702   8.552  -1.771
  215    HA   LEU  30           HA       LEU  30  -6.674   7.849   0.791
  216   1HB   LEU  30          2HB       LEU  30  -8.981   7.282   0.002
  217   2HB   LEU  30          1HB       LEU  30  -8.289   6.195  -1.167
  218    HG   LEU  30           HG       LEU  30  -8.039   5.776   1.829
  219   1HD1  LEU  30          1HD1      LEU  30 -10.370   5.837   1.148
  220   2HD1  LEU  30          2HD1      LEU  30  -9.833   4.234   1.629
  221   3HD1  LEU  30          3HD1      LEU  30 -10.037   4.614  -0.086
  222   1HD2  LEU  30          1HD2      LEU  30  -6.408   4.557   0.420
  223   2HD2  LEU  30          2HD2      LEU  30  -7.751   3.864  -0.491
  224   3HD2  LEU  30          3HD2      LEU  30  -7.555   3.480   1.218
  225    H    VAL  31           H        VAL  31  -4.928   6.458   1.180
  226    HA   VAL  31           HA       VAL  31  -3.567   5.394  -1.155
  227    HB   VAL  31           HB       VAL  31  -2.502   7.494  -0.517
  228   1HG1  VAL  31          1HG1      VAL  31  -1.359   7.792   1.630
  229   2HG1  VAL  31          2HG1      VAL  31  -2.058   6.274   2.191
  230   3HG1  VAL  31          3HG1      VAL  31  -3.112   7.636   1.808
  231   1HG2  VAL  31          1HG2      VAL  31  -0.811   5.103   0.204
  232   2HG2  VAL  31          2HG2      VAL  31  -0.190   6.701  -0.211
  233   3HG2  VAL  31          3HG2      VAL  31  -1.067   5.758  -1.414
  234    H    VAL  32           H        VAL  32  -2.812   3.395  -0.962
  235    HA   VAL  32           HA       VAL  32  -2.833   2.119   1.683
  236    HB   VAL  32           HB       VAL  32  -3.399   0.861  -0.968
  237   1HG1  VAL  32          1HG1      VAL  32  -3.535  -0.302   1.818
  238   2HG1  VAL  32          2HG1      VAL  32  -2.348  -0.696   0.579
  239   3HG1  VAL  32          3HG1      VAL  32  -4.042  -1.144   0.354
  240   1HG2  VAL  32          1HG2      VAL  32  -5.725   0.566  -0.163
  241   2HG2  VAL  32          2HG2      VAL  32  -5.261   2.259  -0.330
  242   3HG2  VAL  32          3HG2      VAL  32  -5.314   1.516   1.268
  243    H    VAL  33           H        VAL  33  -0.902   1.375   2.271
  244    HA   VAL  33           HA       VAL  33   1.132   1.081   0.168
  245    HB   VAL  33           HB       VAL  33   1.588   1.878   3.049
  246   1HG1  VAL  33          1HG1      VAL  33   3.445   0.627   2.094
  247   2HG1  VAL  33          2HG1      VAL  33   3.883   2.307   2.361
  248   3HG1  VAL  33          3HG1      VAL  33   3.508   1.743   0.728
  249   1HG2  VAL  33          1HG2      VAL  33   0.497   3.680   1.807
  250   2HG2  VAL  33          2HG2      VAL  33   1.720   3.559   0.542
  251   3HG2  VAL  33          3HG2      VAL  33   2.174   4.094   2.160
  252    H    ASP  34           H        ASP  34   2.151  -0.778   0.031
  253    HA   ASP  34           HA       ASP  34   1.767  -2.862   2.071
  254   1HB   ASP  34          2HB       ASP  34   0.994  -3.444  -0.178
  255   2HB   ASP  34          1HB       ASP  34   2.540  -2.971  -0.855
  256    H    PHE  35           H        PHE  35   3.524  -3.036   3.390
  257    HA   PHE  35           HA       PHE  35   6.136  -2.289   2.368
  258   1HB   PHE  35          2HB       PHE  35   5.207  -2.968   5.160
  259   2HB   PHE  35          1HB       PHE  35   6.811  -2.473   4.692
  260    HD1  PHE  35           1HD      PHE  35   7.307  -0.165   4.083
  261    HD2  PHE  35           2HD      PHE  35   3.394  -1.330   5.284
  262    HE1  PHE  35           1HE      PHE  35   6.714   2.196   4.422
  263    HE2  PHE  35           2HE      PHE  35   2.792   1.032   5.624
  264    HZ   PHE  35           HZ       PHE  35   4.452   2.796   5.196
  265    H    THR  36           H        THR  36   7.385  -3.858   1.670
  266    HA   THR  36           HA       THR  36   6.828  -6.658   2.478
  267    HB   THR  36           HB       THR  36   5.869  -6.117   0.246
  268    HG1  THR  36           1HG      THR  36   7.596  -7.626  -0.897
  269   1HG2  THR  36          1HG2      THR  36   8.717  -5.435  -0.436
  270   2HG2  THR  36          2HG2      THR  36   7.357  -4.312  -0.417
  271   3HG2  THR  36          3HG2      THR  36   7.440  -5.583  -1.630
  272    H    ALA  37           H        ALA  37   8.569  -8.111   1.955
  273    HA   ALA  37           HA       ALA  37  11.231  -6.903   2.134
  274   1HB   ALA  37          1HB       ALA  37  10.258  -9.457   3.424
  275   2HB   ALA  37          2HB       ALA  37  10.630  -7.954   4.270
  276   3HB   ALA  37          3HB       ALA  37  11.914  -8.861   3.470
  277    H    SER  38           H        SER  38  12.862  -8.098   1.046
  278    HA   SER  38           HA       SER  38  11.974  -9.058  -1.457
  279   1HB   SER  38          2HB       SER  38  14.729  -9.092  -0.256
  280   2HB   SER  38          1HB       SER  38  14.322  -9.226  -1.970
  281    HG   SER  38           HG       SER  38  13.143  -6.998  -1.008
  282    H    TRP  39           H        TRP  39  12.897 -10.663   1.489
  283    HA   TRP  39           HA       TRP  39  13.322 -13.169   0.069
  284   1HB   TRP  39          2HB       TRP  39  14.153 -14.008   2.324
  285   2HB   TRP  39          1HB       TRP  39  15.090 -12.750   1.542
  286    HD1  TRP  39           HD       TRP  39  15.515 -10.662   2.820
  287    HE1  TRP  39           1HE      TRP  39  14.827  -9.716   5.125
  288    HE3  TRP  39           3HE      TRP  39  11.977 -14.095   4.066
  289    HZ2  TRP  39           2HZ      TRP  39  13.030 -10.364   7.182
  290    HZ3  TRP  39           3HZ      TRP  39  10.808 -13.866   6.228
  291    HH2  TRP  39           HH       TRP  39  11.336 -12.015   7.748
  292    H    CYS  40           H        CYS  40  10.608 -11.795   1.325
  293    HA   CYS  40           HA       CYS  40   9.710 -14.408   2.210
  294   1HB   CYS  40          2HB       CYS  40   7.736 -13.202   3.264
  295   2HB   CYS  40          1HB       CYS  40   9.302 -12.919   3.997
  296    H    GLY  41           H        GLY  41   8.408 -15.597   1.159
  297   1HA   GLY  41          2HA       GLY  41   7.848 -15.132  -1.527
  298   2HA   GLY  41          1HA       GLY  41   7.182 -16.422  -0.544
  299    HA   PRO  42           HA       PRO  42   3.082 -14.760  -0.453
  300   1HB   PRO  42          2HB       PRO  42   3.316 -13.837   2.366
  301   2HB   PRO  42          1HB       PRO  42   2.093 -14.865   1.621
  302   1HG   PRO  42          2HG       PRO  42   3.963 -15.939   3.174
  303   2HG   PRO  42          1HG       PRO  42   3.423 -16.757   1.695
  304   1HD   PRO  42          2HD       PRO  42   5.929 -15.220   2.209
  305   2HD   PRO  42          1HD       PRO  42   5.686 -16.692   1.242
  306    H    CYS  43           H        CYS  43   5.468 -12.671   1.025
  307    HA   CYS  43           HA       CYS  43   4.069 -10.233   0.930
  308   1HB   CYS  43          2HB       CYS  43   7.034 -10.642   0.543
  309   2HB   CYS  43          1HB       CYS  43   6.240  -9.165   1.061
  310    H    ARG  44           H        ARG  44   6.239 -11.795  -1.432
  311    HA   ARG  44           HA       ARG  44   5.780  -9.687  -3.318
  312   1HB   ARG  44          2HB       ARG  44   7.942 -10.964  -3.185
  313   2HB   ARG  44          1HB       ARG  44   7.085 -12.359  -3.828
  314   1HG   ARG  44          2HG       ARG  44   6.554 -11.138  -5.853
  315   2HG   ARG  44          1HG       ARG  44   7.360  -9.709  -5.218
  316   1HD   ARG  44          2HD       ARG  44   9.464 -10.979  -5.120
  317   2HD   ARG  44          1HD       ARG  44   8.638 -12.362  -5.844
  318    HE   ARG  44           HE       ARG  44   8.513  -9.837  -7.257
  319   1HH1  ARG  44          1HH1      ARG  44   9.980 -13.041  -7.048
  320   2HH1  ARG  44          2HH1      ARG  44  10.638 -12.981  -8.631
  321   1HH2  ARG  44          1HH2      ARG  44   9.390  -9.788  -9.421
  322   2HH2  ARG  44          2HH2      ARG  44  10.271 -11.137 -10.003
  323    H    PHE  45           H        PHE  45   4.524 -12.879  -2.681
  324    HA   PHE  45           HA       PHE  45   3.191 -13.212  -5.166
  325   1HB   PHE  45          2HB       PHE  45   3.768 -15.134  -3.717
  326   2HB   PHE  45          1HB       PHE  45   2.633 -14.553  -2.508
  327    HD1  PHE  45           1HD      PHE  45   2.910 -15.924  -5.924
  328    HD2  PHE  45           2HD      PHE  45   0.312 -15.061  -2.659
  329    HE1  PHE  45           1HE      PHE  45   1.119 -17.218  -7.007
  330    HE2  PHE  45           2HE      PHE  45  -1.479 -16.350  -3.741
  331    HZ   PHE  45           HZ       PHE  45  -1.072 -17.431  -5.919
  332    H    ILE  46           H        ILE  46   2.424 -11.369  -2.377
  333    HA   ILE  46           HA       ILE  46  -0.406 -11.368  -2.953
  334    HB   ILE  46           HB       ILE  46   0.563 -11.173  -0.580
  335   1HG1  ILE  46          2HG1      ILE  46  -1.089  -9.419   0.171
  336   2HG1  ILE  46          1HG1      ILE  46  -1.405  -9.093  -1.530
  337   1HG2  ILE  46          1HG2      ILE  46   1.210  -8.968   0.222
  338   2HG2  ILE  46          2HG2      ILE  46   1.128  -8.343  -1.423
  339   3HG2  ILE  46          3HG2      ILE  46   2.325  -9.572  -1.005
  340   1HD1  ILE  46          1HD1      ILE  46  -2.156 -11.401  -1.823
  341   2HD1  ILE  46          2HD1      ILE  46  -3.069 -10.570  -0.549
  342   3HD1  ILE  46          3HD1      ILE  46  -1.780 -11.701  -0.123
  343    H    ALA  47           H        ALA  47   2.332  -9.837  -4.128
  344    HA   ALA  47           HA       ALA  47   1.449  -7.209  -4.525
  345   1HB   ALA  47          1HB       ALA  47   3.438  -8.674  -6.256
  346   2HB   ALA  47          2HB       ALA  47   3.817  -7.900  -4.724
  347   3HB   ALA  47          3HB       ALA  47   3.267  -6.925  -6.091
  348    HA   PRO  48           HA       PRO  48  -0.069  -8.521  -9.000
  349   1HB   PRO  48          2HB       PRO  48  -1.050 -11.124  -9.055
  350   2HB   PRO  48          1HB       PRO  48   0.494 -10.612  -9.738
  351   1HG   PRO  48          2HG       PRO  48  -0.074 -11.901  -7.105
  352   2HG   PRO  48          1HG       PRO  48   1.266 -12.189  -8.229
  353   1HD   PRO  48          2HD       PRO  48   1.598 -10.738  -6.015
  354   2HD   PRO  48          1HD       PRO  48   2.420 -10.296  -7.524
  355    H    PHE  49           H        PHE  49  -1.295  -9.969  -6.084
  356    HA   PHE  49           HA       PHE  49  -4.083  -9.708  -6.750
  357   1HB   PHE  49          2HB       PHE  49  -3.184 -11.392  -5.126
  358   2HB   PHE  49          1HB       PHE  49  -2.788 -10.079  -4.030
  359    HD1  PHE  49           1HD      PHE  49  -4.602  -8.841  -2.893
  360    HD2  PHE  49           2HD      PHE  49  -5.392 -12.182  -5.382
  361    HE1  PHE  49           1HE      PHE  49  -6.846  -9.034  -1.910
  362    HE2  PHE  49           2HE      PHE  49  -7.645 -12.381  -4.400
  363    HZ   PHE  49           HZ       PHE  49  -8.364 -10.808  -2.669
  364    H    PHE  50           H        PHE  50  -1.717  -7.898  -4.924
  365    HA   PHE  50           HA       PHE  50  -3.406  -5.853  -3.952
  366   1HB   PHE  50          2HB       PHE  50  -1.128  -6.493  -3.073
  367   2HB   PHE  50          1HB       PHE  50  -0.422  -5.777  -4.507
  368    HD1  PHE  50           1HD      PHE  50  -2.514  -4.989  -1.550
  369    HD2  PHE  50           2HD      PHE  50   0.195  -3.534  -4.483
  370    HE1  PHE  50           1HE      PHE  50  -2.350  -2.863  -0.333
  371    HE2  PHE  50           2HE      PHE  50   0.360  -1.403  -3.277
  372    HZ   PHE  50           HZ       PHE  50  -0.910  -1.061  -1.198
  373    H    ALA  51           H        ALA  51  -1.588  -6.321  -6.898
  374    HA   ALA  51           HA       ALA  51  -2.074  -3.754  -8.033
  375   1HB   ALA  51          1HB       ALA  51  -0.265  -5.213  -8.838
  376   2HB   ALA  51          2HB       ALA  51  -1.350  -4.759 -10.149
  377   3HB   ALA  51          3HB       ALA  51  -1.461  -6.365  -9.433
  378    H    ASP  52           H        ASP  52  -3.822  -6.757  -7.962
  379    HA   ASP  52           HA       ASP  52  -5.820  -6.065  -9.886
  380   1HB   ASP  52          2HB       ASP  52  -5.254  -8.374  -9.022
  381   2HB   ASP  52          1HB       ASP  52  -6.059  -7.936  -7.558
  382    H    LEU  53           H        LEU  53  -5.406  -5.789  -6.497
  383    HA   LEU  53           HA       LEU  53  -7.854  -4.663  -5.707
  384   1HB   LEU  53          2HB       LEU  53  -5.465  -5.278  -4.515
  385   2HB   LEU  53          1HB       LEU  53  -5.428  -3.533  -4.477
  386    HG   LEU  53           HG       LEU  53  -7.465  -5.331  -3.323
  387   1HD1  LEU  53          1HD1      LEU  53  -5.408  -5.331  -2.048
  388   2HD1  LEU  53          2HD1      LEU  53  -6.628  -4.448  -1.129
  389   3HD1  LEU  53          3HD1      LEU  53  -5.381  -3.568  -2.012
  390   1HD2  LEU  53          1HD2      LEU  53  -7.352  -2.316  -3.205
  391   2HD2  LEU  53          2HD2      LEU  53  -8.442  -3.307  -2.242
  392   3HD2  LEU  53          3HD2      LEU  53  -8.585  -3.297  -4.004
  393    H    ALA  54           H        ALA  54  -4.894  -3.170  -6.986
  394    HA   ALA  54           HA       ALA  54  -5.752  -0.466  -7.029
  395   1HB   ALA  54          1HB       ALA  54  -3.728  -1.827  -8.814
  396   2HB   ALA  54          2HB       ALA  54  -3.389  -1.110  -7.239
  397   3HB   ALA  54          3HB       ALA  54  -3.890  -0.087  -8.586
  398    H    LYS  55           H        LYS  55  -6.119  -3.075  -9.183
  399    HA   LYS  55           HA       LYS  55  -7.298  -1.781 -11.423
  400   1HB   LYS  55          2HB       LYS  55  -6.329  -3.906 -11.678
  401   2HB   LYS  55          1HB       LYS  55  -7.173  -4.529 -10.282
  402   1HG   LYS  55          2HG       LYS  55  -9.270  -4.430 -11.617
  403   2HG   LYS  55          1HG       LYS  55  -8.270  -4.019 -13.029
  404   1HD   LYS  55          2HD       LYS  55  -7.025  -6.027 -12.843
  405   2HD   LYS  55          1HD       LYS  55  -7.716  -6.384 -11.269
  406   1HE   LYS  55          2HE       LYS  55  -9.913  -6.651 -12.354
  407   2HE   LYS  55          1HE       LYS  55  -9.128  -6.416 -13.920
  408   1HZ   LYS  55          1HZ       LYS  55  -8.401  -8.507 -11.961
  409   2HZ   LYS  55          2HZ       LYS  55  -7.757  -8.323 -13.510
  410   3HZ   LYS  55          3HZ       LYS  55  -9.381  -8.770 -13.317
  411    H    LYS  56           H        LYS  56  -8.461  -2.905  -8.351
  412    HA   LYS  56           HA       LYS  56 -11.261  -2.862  -9.072
  413   1HB   LYS  56          2HB       LYS  56 -10.144  -4.446  -7.381
  414   2HB   LYS  56          1HB       LYS  56 -10.036  -3.076  -6.302
  415   1HG   LYS  56          2HG       LYS  56 -12.618  -4.234  -7.358
  416   2HG   LYS  56          1HG       LYS  56 -11.906  -4.653  -5.808
  417   1HD   LYS  56          2HD       LYS  56 -12.169  -2.288  -5.105
  418   2HD   LYS  56          1HD       LYS  56 -12.909  -1.931  -6.665
  419   1HE   LYS  56          2HE       LYS  56 -13.967  -3.875  -4.605
  420   2HE   LYS  56          1HE       LYS  56 -14.605  -2.267  -4.921
  421   1HZ   LYS  56          1HZ       LYS  56 -15.196  -2.975  -7.154
  422   2HZ   LYS  56          2HZ       LYS  56 -15.919  -3.969  -6.017
  423   3HZ   LYS  56          3HZ       LYS  56 -14.574  -4.519  -6.875
  424    H    LEU  57           H        LEU  57  -8.969  -0.858  -7.200
  425    HA   LEU  57           HA       LEU  57 -10.977   1.217  -7.161
  426   1HB   LEU  57          2HB       LEU  57  -8.695   0.646  -5.327
  427   2HB   LEU  57          1HB       LEU  57  -9.594   2.151  -5.304
  428    HG   LEU  57           HG       LEU  57 -10.834  -0.541  -4.931
  429   1HD1  LEU  57          1HD1      LEU  57  -9.269  -0.050  -3.076
  430   2HD1  LEU  57          2HD1      LEU  57 -10.938   0.043  -2.526
  431   3HD1  LEU  57          3HD1      LEU  57 -10.036   1.523  -2.845
  432   1HD2  LEU  57          1HD2      LEU  57 -12.394   1.142  -5.707
  433   2HD2  LEU  57          2HD2      LEU  57 -11.882   2.244  -4.433
  434   3HD2  LEU  57          3HD2      LEU  57 -12.729   0.755  -4.021
  435    HA   PRO  58           HA       PRO  58  -8.164   2.598 -10.378
  436   1HB   PRO  58          2HB       PRO  58  -9.771   4.654 -11.221
  437   2HB   PRO  58          1HB       PRO  58  -9.947   2.972 -11.734
  438   1HG   PRO  58          2HG       PRO  58 -11.432   4.471  -9.609
  439   2HG   PRO  58          1HG       PRO  58 -12.056   3.338 -10.826
  440   1HD   PRO  58          2HD       PRO  58 -11.653   2.563  -8.277
  441   2HD   PRO  58          1HD       PRO  58 -11.337   1.481  -9.645
  442    H    ASN  59           H        ASN  59  -9.760   5.077  -8.283
  443    HA   ASN  59           HA       ASN  59  -7.526   6.825  -8.779
  444   1HB   ASN  59          2HB       ASN  59 -10.203   7.240  -7.523
  445   2HB   ASN  59          1HB       ASN  59  -8.924   8.441  -7.465
  446   1HD2  ASN  59          1HD2      ASN  59 -10.098   9.931  -8.647
  447   2HD2  ASN  59          2HD2      ASN  59 -10.419   9.768 -10.328
  448    H    VAL  60           H        VAL  60  -7.719   4.424  -6.799
  449    HA   VAL  60           HA       VAL  60  -6.826   5.879  -4.436
  450    HB   VAL  60           HB       VAL  60  -7.539   2.942  -4.804
  451   1HG1  VAL  60          1HG1      VAL  60  -7.280   2.739  -2.373
  452   2HG1  VAL  60          2HG1      VAL  60  -6.697   4.409  -2.301
  453   3HG1  VAL  60          3HG1      VAL  60  -5.762   3.182  -3.150
  454   1HG2  VAL  60          1HG2      VAL  60  -9.478   4.426  -4.802
  455   2HG2  VAL  60          2HG2      VAL  60  -8.925   5.157  -3.297
  456   3HG2  VAL  60          3HG2      VAL  60  -9.428   3.471  -3.319
  457    H    LEU  61           H        LEU  61  -4.672   5.791  -3.773
  458    HA   LEU  61           HA       LEU  61  -2.879   4.735  -5.745
  459   1HB   LEU  61          2HB       LEU  61  -2.562   6.539  -3.382
  460   2HB   LEU  61          1HB       LEU  61  -1.189   5.846  -4.192
  461    HG   LEU  61           HG       LEU  61  -1.474   8.099  -4.931
  462   1HD1  LEU  61          1HD1      LEU  61  -2.387   6.224  -7.086
  463   2HD1  LEU  61          2HD1      LEU  61  -0.725   6.574  -6.619
  464   3HD1  LEU  61          3HD1      LEU  61  -1.728   7.838  -7.330
  465   1HD2  LEU  61          1HD2      LEU  61  -4.284   7.350  -5.706
  466   2HD2  LEU  61          2HD2      LEU  61  -3.495   8.887  -6.062
  467   3HD2  LEU  61          3HD2      LEU  61  -3.813   8.425  -4.389
  468    H    PHE  62           H        PHE  62  -2.013   2.859  -5.548
  469    HA   PHE  62           HA       PHE  62  -1.649   1.739  -2.869
  470   1HB   PHE  62          2HB       PHE  62  -1.781   0.312  -5.500
  471   2HB   PHE  62          1HB       PHE  62  -1.547  -0.442  -3.954
  472    HD1  PHE  62           1HD      PHE  62  -3.321  -0.935  -2.482
  473    HD2  PHE  62           2HD      PHE  62  -4.062   1.361  -5.978
  474    HE1  PHE  62           1HE      PHE  62  -5.731  -1.174  -2.121
  475    HE2  PHE  62           2HE      PHE  62  -6.479   1.126  -5.626
  476    HZ   PHE  62           HZ       PHE  62  -7.318  -0.142  -3.700
  477    H    LEU  63           H        LEU  63   0.282   1.260  -2.319
  478    HA   LEU  63           HA       LEU  63   2.457   1.649  -4.244
  479   1HB   LEU  63          2HB       LEU  63   2.316   2.704  -1.436
  480   2HB   LEU  63          1HB       LEU  63   3.806   2.570  -2.326
  481    HG   LEU  63           HG       LEU  63   2.814   4.152  -4.027
  482   1HD1  LEU  63          1HD1      LEU  63   0.464   3.902  -3.537
  483   2HD1  LEU  63          2HD1      LEU  63   0.965   5.583  -3.341
  484   3HD1  LEU  63          3HD1      LEU  63   0.714   4.565  -1.923
  485   1HD2  LEU  63          1HD2      LEU  63   4.423   4.896  -2.390
  486   2HD2  LEU  63          2HD2      LEU  63   3.135   5.155  -1.209
  487   3HD2  LEU  63          3HD2      LEU  63   3.209   6.145  -2.667
  488    H    LYS  64           H        LYS  64   4.064   0.282  -4.193
  489    HA   LYS  64           HA       LYS  64   4.009  -1.879  -2.172
  490   1HB   LYS  64          2HB       LYS  64   3.698  -2.437  -4.656
  491   2HB   LYS  64          1HB       LYS  64   5.333  -1.856  -4.900
  492   1HG   LYS  64          2HG       LYS  64   5.336  -4.263  -4.795
  493   2HG   LYS  64          1HG       LYS  64   6.150  -3.620  -3.368
  494   1HD   LYS  64          2HD       LYS  64   4.158  -3.987  -2.022
  495   2HD   LYS  64          1HD       LYS  64   3.267  -4.529  -3.448
  496   1HE   LYS  64          2HE       LYS  64   4.786  -6.430  -3.669
  497   2HE   LYS  64          1HE       LYS  64   5.706  -5.832  -2.292
  498   1HZ   LYS  64          1HZ       LYS  64   3.854  -6.158  -0.875
  499   2HZ   LYS  64          2HZ       LYS  64   4.153  -7.633  -1.608
  500   3HZ   LYS  64          3HZ       LYS  64   2.845  -6.673  -2.091
  501    H    VAL  65           H        VAL  65   5.549  -1.495  -0.663
  502    HA   VAL  65           HA       VAL  65   7.953  -0.091  -1.555
  503    HB   VAL  65           HB       VAL  65   6.550   0.208   1.113
  504   1HG1  VAL  65          1HG1      VAL  65   8.238   1.923   1.597
  505   2HG1  VAL  65          2HG1      VAL  65   9.048   1.553   0.072
  506   3HG1  VAL  65          3HG1      VAL  65   8.986   0.343   1.348
  507   1HG2  VAL  65          1HG2      VAL  65   6.904   2.157  -1.162
  508   2HG2  VAL  65          2HG2      VAL  65   6.176   2.533   0.398
  509   3HG2  VAL  65          3HG2      VAL  65   5.395   1.379  -0.688
  510    H    ASP  66           H        ASP  66   9.591  -1.319  -1.460
  511    HA   ASP  66           HA       ASP  66   9.699  -3.630   0.238
  512   1HB   ASP  66          2HB       ASP  66  10.636  -3.577  -2.075
  513   2HB   ASP  66          1HB       ASP  66  11.768  -2.365  -1.486
  514    H    THR  67           H        THR  67  10.460  -3.581   2.218
  515    HA   THR  67           HA       THR  67  11.223  -1.085   3.333
  516    HB   THR  67           HB       THR  67   9.796  -2.587   4.595
  517    HG1  THR  67           1HG      THR  67  12.260  -1.750   5.582
  518   1HG2  THR  67          1HG2      THR  67  12.211  -4.380   4.737
  519   2HG2  THR  67          2HG2      THR  67  10.708  -4.701   3.862
  520   3HG2  THR  67          3HG2      THR  67  10.700  -4.610   5.620
  521    H    ASP  68           H        ASP  68  13.124  -3.422   1.816
  522    HA   ASP  68           HA       ASP  68  15.444  -2.978   3.492
  523   1HB   ASP  68          2HB       ASP  68  15.154  -5.039   2.102
  524   2HB   ASP  68          1HB       ASP  68  15.309  -4.042   0.676
  525    H    GLU  69           H        GLU  69  14.073  -1.846   0.515
  526    HA   GLU  69           HA       GLU  69  16.044  -0.142  -0.424
  527   1HB   GLU  69          2HB       GLU  69  13.055   0.105  -0.530
  528   2HB   GLU  69          1HB       GLU  69  14.204   0.916  -1.570
  529   1HG   GLU  69          2HG       GLU  69  13.810  -2.057  -1.404
  530   2HG   GLU  69          1HG       GLU  69  13.123  -1.014  -2.647
  531    H    LEU  70           H        LEU  70  13.051   0.782   1.325
  532    HA   LEU  70           HA       LEU  70  14.328   3.173   2.292
  533   1HB   LEU  70          2HB       LEU  70  11.530   2.133   2.115
  534   2HB   LEU  70          1HB       LEU  70  11.915   3.530   3.066
  535    HG   LEU  70           HG       LEU  70  12.723   4.624   0.904
  536   1HD1  LEU  70          1HD1      LEU  70  11.374   2.262  -0.380
  537   2HD1  LEU  70          2HD1      LEU  70  13.099   2.626  -0.409
  538   3HD1  LEU  70          3HD1      LEU  70  11.959   3.708  -1.208
  539   1HD2  LEU  70          1HD2      LEU  70   9.842   3.777   1.040
  540   2HD2  LEU  70          2HD2      LEU  70  10.485   5.126   0.102
  541   3HD2  LEU  70          3HD2      LEU  70  10.571   5.159   1.862
  542    H    LYS  71           H        LYS  71  15.562   1.339   3.550
  543    HA   LYS  71           HA       LYS  71  14.348  -0.245   5.513
  544   1HB   LYS  71          2HB       LYS  71  16.725  -0.254   4.427
  545   2HB   LYS  71          1HB       LYS  71  17.146   0.844   5.711
  546   1HG   LYS  71          2HG       LYS  71  16.187  -2.006   6.124
  547   2HG   LYS  71          1HG       LYS  71  17.870  -1.537   6.036
  548   1HD   LYS  71          2HD       LYS  71  17.471  -1.758   8.315
  549   2HD   LYS  71          1HD       LYS  71  17.302  -0.027   8.064
  550   1HE   LYS  71          2HE       LYS  71  14.847  -0.334   7.956
  551   2HE   LYS  71          1HE       LYS  71  15.076  -2.047   8.294
  552   1HZ   LYS  71          1HZ       LYS  71  15.956   0.137  10.090
  553   2HZ   LYS  71          2HZ       LYS  71  15.931  -1.515  10.466
  554   3HZ   LYS  71          3HZ       LYS  71  14.501  -0.669  10.221
  555    H    SER  72           H        SER  72  15.971   2.943   5.899
  556    HA   SER  72           HA       SER  72  15.243   2.989   8.669
  557   1HB   SER  72          2HB       SER  72  16.508   5.081   6.934
  558   2HB   SER  72          1HB       SER  72  16.299   5.243   8.678
  559    HG   SER  72           HG       SER  72  18.016   3.540   7.222
  560    H    VAL  73           H        VAL  73  14.002   4.397   5.739
  561    HA   VAL  73           HA       VAL  73  12.280   6.216   7.054
  562    HB   VAL  73           HB       VAL  73  12.054   5.078   4.252
  563   1HG1  VAL  73          1HG1      VAL  73  10.593   6.996   3.784
  564   2HG1  VAL  73          2HG1      VAL  73  10.678   7.469   5.480
  565   3HG1  VAL  73          3HG1      VAL  73   9.898   5.952   5.025
  566   1HG2  VAL  73          1HG2      VAL  73  13.191   7.670   5.275
  567   2HG2  VAL  73          2HG2      VAL  73  13.032   7.228   3.579
  568   3HG2  VAL  73          3HG2      VAL  73  14.113   6.316   4.631
  569    H    ALA  74           H        ALA  74  11.759   2.903   5.852
  570    HA   ALA  74           HA       ALA  74   9.034   2.802   6.505
  571   1HB   ALA  74          1HB       ALA  74   9.257   0.373   6.342
  572   2HB   ALA  74          2HB       ALA  74  11.010   0.515   6.430
  573   3HB   ALA  74          3HB       ALA  74  10.142   1.161   5.037
  574    H    SER  75           H        SER  75  11.935   2.015   8.400
  575    HA   SER  75           HA       SER  75  10.521   1.101  10.624
  576   1HB   SER  75          2HB       SER  75  13.314   2.218  10.420
  577   2HB   SER  75          1HB       SER  75  12.656   1.388  11.839
  578    HG   SER  75           HG       SER  75  12.066  -0.202   9.965
  579    H    ASP  76           H        ASP  76  11.311   4.352   9.603
  580    HA   ASP  76           HA       ASP  76  10.710   5.668  12.053
  581   1HB   ASP  76          2HB       ASP  76  11.865   6.796  10.153
  582   2HB   ASP  76          1HB       ASP  76  10.367   6.737   9.232
  583    H    TRP  77           H        TRP  77   8.759   4.264   9.596
  584    HA   TRP  77           HA       TRP  77   6.335   5.380  10.639
  585   1HB   TRP  77          2HB       TRP  77   6.964   3.618   8.323
  586   2HB   TRP  77          1HB       TRP  77   5.291   3.917   8.804
  587    HD1  TRP  77           HD       TRP  77   8.417   5.946   7.698
  588    HE1  TRP  77           1HE      TRP  77   7.602   8.040   6.455
  589    HE3  TRP  77           3HE      TRP  77   3.395   5.300   8.259
  590    HZ2  TRP  77           2HZ      TRP  77   5.141   9.243   5.772
  591    HZ3  TRP  77           3HZ      TRP  77   1.868   6.960   7.275
  592    HH2  TRP  77           HH       TRP  77   2.726   8.892   6.058
  593    H    ALA  78           H        ALA  78   8.267   3.286  11.835
  594    HA   ALA  78           HA       ALA  78   8.192   1.686  13.387
  595   1HB   ALA  78          1HB       ALA  78   6.170   2.790  14.272
  596   2HB   ALA  78          2HB       ALA  78   6.082   1.037  14.460
  597   3HB   ALA  78          3HB       ALA  78   5.178   1.831  13.173
  598    H    ILE  79           H        ILE  79   7.998   1.208  10.410
  599    HA   ILE  79           HA       ILE  79   6.790  -1.405  10.319
  600    HB   ILE  79           HB       ILE  79   8.329   0.091   8.197
  601   1HG1  ILE  79          2HG1      ILE  79   6.281   1.265   8.778
  602   2HG1  ILE  79          1HG1      ILE  79   6.109   0.526   7.193
  603   1HG2  ILE  79          1HG2      ILE  79   7.360  -1.527   6.617
  604   2HG2  ILE  79          2HG2      ILE  79   6.633  -2.400   7.965
  605   3HG2  ILE  79          3HG2      ILE  79   8.390  -2.318   7.813
  606   1HD1  ILE  79          1HD1      ILE  79   4.083   0.295   8.490
  607   2HD1  ILE  79          2HD1      ILE  79   4.970  -0.517   9.778
  608   3HD1  ILE  79          3HD1      ILE  79   4.807  -1.286   8.198
  609    H    GLN  80           H        GLN  80   7.761  -3.035  11.012
  610    HA   GLN  80           HA       GLN  80  10.456  -3.669  10.190
  611   1HB   GLN  80          2HB       GLN  80  10.777  -2.598  12.370
  612   2HB   GLN  80          1HB       GLN  80   9.577  -3.653  13.085
  613   1HG   GLN  80          2HG       GLN  80  11.020  -5.566  12.692
  614   2HG   GLN  80          1HG       GLN  80  12.215  -4.519  11.935
  615   1HE2  GLN  80          1HE2      GLN  80  10.695  -5.444  14.904
  616   2HE2  GLN  80          2HE2      GLN  80  11.853  -4.703  15.950
  617    H    ALA  81           H        ALA  81   7.342  -4.519  11.516
  618    HA   ALA  81           HA       ALA  81   7.714  -7.337  11.150
  619   1HB   ALA  81          1HB       ALA  81   5.220  -5.709  11.689
  620   2HB   ALA  81          2HB       ALA  81   6.223  -6.489  12.912
  621   3HB   ALA  81          3HB       ALA  81   5.332  -7.468  11.747
  622    H    MET  82           H        MET  82   7.493  -8.324   9.216
  623    HA   MET  82           HA       MET  82   6.252  -6.772   7.068
  624   1HB   MET  82          2HB       MET  82   8.557  -8.723   6.858
  625   2HB   MET  82          1HB       MET  82   7.881  -7.726   5.608
  626   1HG   MET  82          2HG       MET  82   8.670  -5.715   6.564
  627   2HG   MET  82          1HG       MET  82   9.052  -6.539   8.078
  628   1HE   MET  82          1HE       MET  82  12.207  -8.554   7.210
  629   2HE   MET  82          2HE       MET  82  10.544  -9.139   7.189
  630   3HE   MET  82          3HE       MET  82  11.084  -8.053   8.478
  631    HA   PRO  83           HA       PRO  83   5.500  -6.988   5.271
  632   1HB   PRO  83          2HB       PRO  83   3.367  -7.450   3.739
  633   2HB   PRO  83          1HB       PRO  83   4.906  -8.259   3.430
  634   1HG   PRO  83          2HG       PRO  83   2.417  -9.338   4.636
  635   2HG   PRO  83          1HG       PRO  83   3.649 -10.159   3.668
  636   1HD   PRO  83          2HD       PRO  83   3.398 -10.182   6.493
  637   2HD   PRO  83          1HD       PRO  83   4.747 -10.826   5.539
  638    H    THR  84           H        THR  84   4.215  -5.140   5.334
  639    HA   THR  84           HA       THR  84   1.919  -5.268   7.128
  640    HB   THR  84           HB       THR  84   3.904  -3.118   6.786
  641    HG1  THR  84           1HG      THR  84   4.481  -4.731   8.384
  642   1HG2  THR  84          1HG2      THR  84   1.332  -2.979   8.362
  643   2HG2  THR  84          2HG2      THR  84   1.727  -2.053   6.917
  644   3HG2  THR  84          3HG2      THR  84   2.600  -1.754   8.418
  645    H    PHE  85           H        PHE  85   0.026  -4.658   6.280
  646    HA   PHE  85           HA       PHE  85   0.025  -3.133   3.823
  647   1HB   PHE  85          2HB       PHE  85  -2.153  -4.674   5.263
  648   2HB   PHE  85          1HB       PHE  85  -2.278  -3.882   3.711
  649    HD1  PHE  85           1HD      PHE  85  -1.444  -4.904   1.715
  650    HD2  PHE  85           2HD      PHE  85  -0.833  -6.723   5.512
  651    HE1  PHE  85           1HE      PHE  85  -0.746  -6.983   0.608
  652    HE2  PHE  85           2HE      PHE  85  -0.131  -8.795   4.416
  653    HZ   PHE  85           HZ       PHE  85  -0.088  -8.932   1.960
  654    H    MET  86           H        MET  86  -0.389  -1.050   4.154
  655    HA   MET  86           HA       MET  86  -1.758  -0.321   6.640
  656   1HB   MET  86          2HB       MET  86   0.607   0.193   6.721
  657   2HB   MET  86          1HB       MET  86   0.469   1.108   5.224
  658   1HG   MET  86          2HG       MET  86  -0.923   2.734   6.337
  659   2HG   MET  86          1HG       MET  86  -0.863   1.838   7.844
  660   1HE   MET  86          1HE       MET  86  -0.007   3.953   9.134
  661   2HE   MET  86          2HE       MET  86  -0.070   4.893   7.641
  662   3HE   MET  86          3HE       MET  86   1.380   4.920   8.642
  663    H    PHE  87           H        PHE  87  -3.594   0.668   6.321
  664    HA   PHE  87           HA       PHE  87  -4.171   1.707   3.699
  665   1HB   PHE  87          2HB       PHE  87  -5.814   0.554   5.914
  666   2HB   PHE  87          1HB       PHE  87  -6.477   1.331   4.495
  667    HD1  PHE  87           1HD      PHE  87  -6.771   0.088   2.497
  668    HD2  PHE  87           2HD      PHE  87  -4.418  -1.532   5.649
  669    HE1  PHE  87           1HE      PHE  87  -6.702  -2.073   1.328
  670    HE2  PHE  87           2HE      PHE  87  -4.343  -3.699   4.482
  671    HZ   PHE  87           HZ       PHE  87  -5.488  -3.970   2.321
  672    H    LEU  88           H        LEU  88  -4.180   3.869   3.678
  673    HA   LEU  88           HA       LEU  88  -5.075   5.144   6.117
  674   1HB   LEU  88          2HB       LEU  88  -3.314   6.415   3.982
  675   2HB   LEU  88          1HB       LEU  88  -3.848   7.191   5.440
  676    HG   LEU  88           HG       LEU  88  -2.433   5.452   6.689
  677   1HD1  LEU  88          1HD1      LEU  88  -1.305   5.074   3.929
  678   2HD1  LEU  88          2HD1      LEU  88  -2.122   3.853   4.908
  679   3HD1  LEU  88          3HD1      LEU  88  -0.566   4.511   5.423
  680   1HD2  LEU  88          1HD2      LEU  88  -0.387   6.758   6.346
  681   2HD2  LEU  88          2HD2      LEU  88  -1.804   7.795   6.473
  682   3HD2  LEU  88          3HD2      LEU  88  -1.089   7.471   4.895
  683    H    LYS  89           H        LYS  89  -6.237   7.252   5.564
  684    HA   LYS  89           HA       LYS  89  -7.382   7.262   2.885
  685   1HB   LYS  89          2HB       LYS  89  -9.014   6.213   4.250
  686   2HB   LYS  89          1HB       LYS  89  -8.850   7.452   5.486
  687   1HG   LYS  89          2HG       LYS  89  -9.867   9.083   4.027
  688   2HG   LYS  89          1HG       LYS  89  -9.941   7.904   2.710
  689   1HD   LYS  89          2HD       LYS  89 -11.438   6.515   4.008
  690   2HD   LYS  89          1HD       LYS  89 -11.307   7.614   5.378
  691   1HE   LYS  89          2HE       LYS  89 -12.406   8.377   2.682
  692   2HE   LYS  89          1HE       LYS  89 -13.406   7.858   4.033
  693   1HZ   LYS  89          1HZ       LYS  89 -12.559   9.753   5.308
  694   2HZ   LYS  89          2HZ       LYS  89 -13.367  10.211   3.920
  695   3HZ   LYS  89          3HZ       LYS  89 -11.705  10.345   3.964
  696    H    GLU  90           H        GLU  90  -6.896   9.007   1.982
  697    HA   GLU  90           HA       GLU  90  -6.547  11.054   1.499
  698   1HB   GLU  90          2HB       GLU  90  -8.129  11.616   3.971
  699   2HB   GLU  90          1HB       GLU  90  -7.839  12.813   2.709
  700   1HG   GLU  90          2HG       GLU  90  -9.040  11.380   1.101
  701   2HG   GLU  90          1HG       GLU  90  -9.334  10.204   2.368
  702    H    GLY  91           H        GLY  91  -4.711   9.647   3.274
  703   1HA   GLY  91          2HA       GLY  91  -2.533  10.250   3.974
  704   2HA   GLY  91          1HA       GLY  91  -3.092  11.898   4.210
  705    H    LYS  92           H        LYS  92  -5.396  10.109   5.675
  706    HA   LYS  92           HA       LYS  92  -3.993  10.181   8.251
  707   1HB   LYS  92          2HB       LYS  92  -5.977  11.700   7.975
  708   2HB   LYS  92          1HB       LYS  92  -6.981  10.308   7.650
  709   1HG   LYS  92          2HG       LYS  92  -5.565  10.768  10.284
  710   2HG   LYS  92          1HG       LYS  92  -7.198  11.321   9.949
  711   1HD   LYS  92          2HD       LYS  92  -7.919   9.020   9.610
  712   2HD   LYS  92          1HD       LYS  92  -6.267   8.456   9.855
  713   1HE   LYS  92          2HE       LYS  92  -6.319   9.319  12.146
  714   2HE   LYS  92          1HE       LYS  92  -7.969   9.882  11.897
  715   1HZ   LYS  92          1HZ       LYS  92  -7.093   7.061  11.683
  716   2HZ   LYS  92          2HZ       LYS  92  -8.687   7.613  11.585
  717   3HZ   LYS  92          3HZ       LYS  92  -7.850   7.706  13.041
  718    H    ILE  93           H        ILE  93  -3.812   8.317   9.412
  719    HA   ILE  93           HA       ILE  93  -3.949   5.816   8.088
  720    HB   ILE  93           HB       ILE  93  -3.609   6.397  11.043
  721   1HG1  ILE  93          2HG1      ILE  93  -1.523   5.827   8.945
  722   2HG1  ILE  93          1HG1      ILE  93  -1.898   7.443   9.510
  723   1HG2  ILE  93          1HG2      ILE  93  -2.969   3.890   9.469
  724   2HG2  ILE  93          2HG2      ILE  93  -4.252   4.067  10.666
  725   3HG2  ILE  93          3HG2      ILE  93  -2.560   4.167  11.164
  726   1HD1  ILE  93          1HD1      ILE  93  -1.192   6.769  11.779
  727   2HD1  ILE  93          2HD1      ILE  93   0.097   6.587  10.588
  728   3HD1  ILE  93          3HD1      ILE  93  -0.790   5.172  11.156
  729    H    LEU  94           H        LEU  94  -5.645   4.429   7.840
  730    HA   LEU  94           HA       LEU  94  -7.916   4.724   9.627
  731   1HB   LEU  94          2HB       LEU  94  -7.574   3.306   7.026
  732   2HB   LEU  94          1HB       LEU  94  -8.972   3.088   8.024
  733    HG   LEU  94           HG       LEU  94  -8.106   5.566   6.563
  734   1HD1  LEU  94          1HD1      LEU  94 -10.306   5.275   5.485
  735   2HD1  LEU  94          2HD1      LEU  94 -10.520   3.772   6.382
  736   3HD1  LEU  94          3HD1      LEU  94  -9.215   3.923   5.203
  737   1HD2  LEU  94          1HD2      LEU  94  -8.970   6.260   8.755
  738   2HD2  LEU  94          2HD2      LEU  94 -10.398   5.256   8.514
  739   3HD2  LEU  94          3HD2      LEU  94 -10.121   6.653   7.479
  740    H    ASP  95           H        ASP  95  -5.694   2.201   8.305
  741    HA   ASP  95           HA       ASP  95  -5.881   0.794  10.650
  742   1HB   ASP  95          2HB       ASP  95  -6.707  -1.304   9.444
  743   2HB   ASP  95          1HB       ASP  95  -7.905  -0.206  10.124
  744    H    LYS  96           H        LYS  96  -4.745  -1.177  10.589
  745    HA   LYS  96           HA       LYS  96  -2.524  -1.088   8.697
  746   1HB   LYS  96          2HB       LYS  96  -2.223   0.473  10.620
  747   2HB   LYS  96          1HB       LYS  96  -2.456  -0.856  11.710
  748   1HG   LYS  96          2HG       LYS  96  -0.241  -0.579   9.768
  749   2HG   LYS  96          1HG       LYS  96  -0.154   0.004  11.428
  750   1HD   LYS  96          2HD       LYS  96  -0.831  -2.520  11.978
  751   2HD   LYS  96          1HD       LYS  96  -0.134  -2.825  10.392
  752   1HE   LYS  96          2HE       LYS  96   1.260  -1.537  12.745
  753   2HE   LYS  96          1HE       LYS  96   1.519  -3.174  12.164
  754   1HZ   LYS  96          1HZ       LYS  96   2.144  -0.685  10.651
  755   2HZ   LYS  96          2HZ       LYS  96   2.519  -2.288  10.161
  756   3HZ   LYS  96          3HZ       LYS  96   3.216  -1.618  11.531
  757    H    VAL  97           H        VAL  97  -2.078  -3.202   8.162
  758    HA   VAL  97           HA       VAL  97  -2.922  -5.360   9.987
  759    HB   VAL  97           HB       VAL  97  -3.196  -5.338   6.958
  760   1HG1  VAL  97          1HG1      VAL  97  -2.701  -7.565   7.803
  761   2HG1  VAL  97          2HG1      VAL  97  -4.365  -7.462   7.221
  762   3HG1  VAL  97          3HG1      VAL  97  -4.034  -7.432   8.951
  763   1HG2  VAL  97          1HG2      VAL  97  -5.617  -5.379   7.347
  764   2HG2  VAL  97          2HG2      VAL  97  -4.876  -3.917   8.001
  765   3HG2  VAL  97          3HG2      VAL  97  -5.339  -5.227   9.083
  766    H    VAL  98           H        VAL  98  -1.394  -6.966  10.258
  767    HA   VAL  98           HA       VAL  98   0.988  -6.837   8.549
  768    HB   VAL  98           HB       VAL  98   0.795  -7.653  11.410
  769   1HG1  VAL  98          1HG1      VAL  98   3.227  -7.426   9.617
  770   2HG1  VAL  98          2HG1      VAL  98   2.545  -8.919  10.259
  771   3HG1  VAL  98          3HG1      VAL  98   3.285  -7.748  11.350
  772   1HG2  VAL  98          1HG2      VAL  98   2.178  -5.647  11.885
  773   2HG2  VAL  98          2HG2      VAL  98   0.599  -5.259  11.207
  774   3HG2  VAL  98          3HG2      VAL  98   2.035  -5.199  10.188
  775    H    GLY  99           H        GLY  99   1.550  -8.647   7.535
  776   1HA   GLY  99          2HA       GLY  99   1.815 -11.069   7.462
  777   2HA   GLY  99          1HA       GLY  99   0.350 -11.200   8.422
  778    H    ALA 100           H        ALA 100   1.471 -11.778   5.424
  779    HA   ALA 100           HA       ALA 100  -0.859 -10.708   4.017
  780   1HB   ALA 100          1HB       ALA 100   1.558 -12.155   2.956
  781   2HB   ALA 100          2HB       ALA 100   1.349 -10.406   2.995
  782   3HB   ALA 100          3HB       ALA 100   0.285 -11.400   1.998
  783    H    LYS 101           H        LYS 101  -2.535 -11.904   4.422
  784    HA   LYS 101           HA       LYS 101  -2.459 -14.582   3.371
  785   1HB   LYS 101          2HB       LYS 101  -4.067 -13.496   5.682
  786   2HB   LYS 101          1HB       LYS 101  -4.490 -14.974   4.838
  787   1HG   LYS 101          2HG       LYS 101  -2.356 -15.989   5.556
  788   2HG   LYS 101          1HG       LYS 101  -1.925 -14.473   6.356
  789   1HD   LYS 101          2HD       LYS 101  -3.737 -14.695   7.773
  790   2HD   LYS 101          1HD       LYS 101  -4.268 -16.147   6.913
  791   1HE   LYS 101          2HE       LYS 101  -1.635 -15.864   8.380
  792   2HE   LYS 101          1HE       LYS 101  -3.045 -16.677   9.044
  793   1HZ   LYS 101          1HZ       LYS 101  -2.915 -18.283   7.199
  794   2HZ   LYS 101          2HZ       LYS 101  -1.502 -18.253   8.105
  795   3HZ   LYS 101          3HZ       LYS 101  -1.520 -17.525   6.617
  796    H    LYS 102           H        LYS 102  -4.099 -14.928   1.799
  797    HA   LYS 102           HA       LYS 102  -4.998 -12.614   0.559
  798   1HB   LYS 102          2HB       LYS 102  -4.680 -14.799  -0.584
  799   2HB   LYS 102          1HB       LYS 102  -6.119 -15.383   0.255
  800   1HG   LYS 102          2HG       LYS 102  -7.443 -13.686  -0.770
  801   2HG   LYS 102          1HG       LYS 102  -6.033 -13.044  -1.613
  802   1HD   LYS 102          2HD       LYS 102  -7.287 -14.391  -3.183
  803   2HD   LYS 102          1HD       LYS 102  -5.817 -15.264  -2.766
  804   1HE   LYS 102          2HE       LYS 102  -7.098 -16.632  -1.173
  805   2HE   LYS 102          1HE       LYS 102  -8.552 -15.738  -1.586
  806   1HZ   LYS 102          1HZ       LYS 102  -6.960 -17.414  -3.447
  807   2HZ   LYS 102          2HZ       LYS 102  -8.329 -16.545  -3.874
  808   3HZ   LYS 102          3HZ       LYS 102  -8.459 -17.817  -2.784
  809    H    ASP 103           H        ASP 103  -6.611 -14.889   2.707
  810    HA   ASP 103           HA       ASP 103  -9.209 -13.816   2.609
  811   1HB   ASP 103          2HB       ASP 103  -8.692 -16.021   3.606
  812   2HB   ASP 103          1HB       ASP 103  -7.870 -15.207   4.934
  813    H    GLU 104           H        GLU 104  -6.461 -13.064   4.623
  814    HA   GLU 104           HA       GLU 104  -7.801 -11.297   6.413
  815   1HB   GLU 104          2HB       GLU 104  -5.616 -12.386   6.905
  816   2HB   GLU 104          1HB       GLU 104  -4.880 -11.410   5.645
  817   1HG   GLU 104          2HG       GLU 104  -4.343 -10.443   7.733
  818   2HG   GLU 104          1HG       GLU 104  -5.506  -9.390   6.938
  819    H    LEU 105           H        LEU 105  -6.006 -10.795   3.434
  820    HA   LEU 105           HA       LEU 105  -6.202  -7.983   3.511
  821   1HB   LEU 105          2HB       LEU 105  -4.673  -9.364   2.064
  822   2HB   LEU 105          1HB       LEU 105  -6.053  -9.732   1.095
  823    HG   LEU 105           HG       LEU 105  -6.415  -7.449   0.483
  824   1HD1  LEU 105          1HD1      LEU 105  -4.768  -5.689   1.064
  825   2HD1  LEU 105          2HD1      LEU 105  -3.961  -6.824   2.148
  826   3HD1  LEU 105          3HD1      LEU 105  -5.615  -6.309   2.478
  827   1HD2  LEU 105          1HD2      LEU 105  -4.921  -8.780  -0.887
  828   2HD2  LEU 105          2HD2      LEU 105  -3.540  -8.254   0.077
  829   3HD2  LEU 105          3HD2      LEU 105  -4.429  -7.088  -0.904
  830    H    GLN 106           H        GLN 106  -7.991 -10.475   1.909
  831    HA   GLN 106           HA       GLN 106 -10.092  -9.011   0.749
  832   1HB   GLN 106          2HB       GLN 106 -10.071 -11.787   1.921
  833   2HB   GLN 106          1HB       GLN 106 -11.494 -11.117   1.147
  834   1HG   GLN 106          2HG       GLN 106  -8.830 -11.365  -0.226
  835   2HG   GLN 106          1HG       GLN 106 -10.067 -12.621  -0.273
  836   1HE2  GLN 106          1HE2      GLN 106  -9.219  -9.417  -1.289
  837   2HE2  GLN 106          2HE2      GLN 106 -10.455  -9.250  -2.480
  838    H    SER 107           H        SER 107  -9.731 -10.079   4.088
  839    HA   SER 107           HA       SER 107 -12.336  -9.291   4.883
  840   1HB   SER 107          2HB       SER 107 -10.941 -10.928   6.147
  841   2HB   SER 107          1HB       SER 107  -9.816  -9.634   6.537
  842    HG   SER 107           HG       SER 107 -11.014  -9.277   8.168
  843    H    THR 108           H        THR 108  -9.200  -7.738   4.849
  844    HA   THR 108           HA       THR 108 -10.064  -5.369   6.126
  845    HB   THR 108           HB       THR 108  -7.686  -5.701   4.264
  846    HG1  THR 108           1HG      THR 108  -7.416  -7.246   5.851
  847   1HG2  THR 108          1HG2      THR 108  -8.202  -3.824   6.606
  848   2HG2  THR 108          2HG2      THR 108  -8.225  -3.370   4.906
  849   3HG2  THR 108          3HG2      THR 108  -6.726  -3.902   5.651
  850    H    ILE 109           H        ILE 109  -9.998  -6.490   2.786
  851    HA   ILE 109           HA       ILE 109 -10.593  -3.993   1.628
  852    HB   ILE 109           HB       ILE 109 -11.199  -6.774   0.551
  853   1HG1  ILE 109          2HG1      ILE 109  -8.925  -4.856  -0.067
  854   2HG1  ILE 109          1HG1      ILE 109  -8.801  -6.316   0.905
  855   1HG2  ILE 109          1HG2      ILE 109 -11.225  -4.104  -0.862
  856   2HG2  ILE 109          2HG2      ILE 109 -12.638  -5.087  -0.496
  857   3HG2  ILE 109          3HG2      ILE 109 -11.433  -5.672  -1.646
  858   1HD1  ILE 109          1HD1      ILE 109  -9.487  -6.182  -2.017
  859   2HD1  ILE 109          2HD1      ILE 109  -9.362  -7.653  -1.054
  860   3HD1  ILE 109          3HD1      ILE 109  -7.933  -6.655  -1.328
  861    H    ALA 110           H        ALA 110 -12.698  -6.675   2.705
  862    HA   ALA 110           HA       ALA 110 -15.136  -5.402   2.003
  863   1HB   ALA 110          1HB       ALA 110 -16.210  -7.029   3.483
  864   2HB   ALA 110          2HB       ALA 110 -14.638  -7.453   4.168
  865   3HB   ALA 110          3HB       ALA 110 -14.991  -7.802   2.474
  866    H    LYS 111           H        LYS 111 -13.131  -5.250   4.796
  867    HA   LYS 111           HA       LYS 111 -14.657  -3.837   6.643
  868   1HB   LYS 111          2HB       LYS 111 -12.349  -4.811   6.850
  869   2HB   LYS 111          1HB       LYS 111 -11.855  -3.456   5.890
  870   1HG   LYS 111          2HG       LYS 111 -12.466  -1.873   7.594
  871   2HG   LYS 111          1HG       LYS 111 -13.069  -3.182   8.621
  872   1HD   LYS 111          2HD       LYS 111 -10.827  -4.157   8.709
  873   2HD   LYS 111          1HD       LYS 111 -10.221  -2.872   7.665
  874   1HE   LYS 111          2HE       LYS 111 -11.409  -2.520  10.409
  875   2HE   LYS 111          1HE       LYS 111  -9.694  -2.466  10.013
  876   1HZ   LYS 111          1HZ       LYS 111 -11.735  -0.586   8.941
  877   2HZ   LYS 111          2HZ       LYS 111 -10.068  -0.481   8.680
  878   3HZ   LYS 111          3HZ       LYS 111 -10.697  -0.263  10.212
  879    H    HIS 112           H        HIS 112 -12.712  -2.786   3.948
  880    HA   HIS 112           HA       HIS 112 -13.253   0.005   4.343
  881   1HB   HIS 112          2HB       HIS 112 -11.616  -1.554   2.429
  882   2HB   HIS 112          1HB       HIS 112 -11.975   0.130   2.111
  883    HD1  HIS 112           1HD      HIS 112 -10.590   1.819   3.367
  884    HD2  HIS 112           2HD      HIS 112 -10.004  -2.035   4.742
  885    HE1  HIS 112           1HE      HIS 112  -8.600   1.943   4.906
  886    HE2  HIS 112           2HE      HIS 112  -8.409  -0.354   5.884
  887    H    LEU 113           H        LEU 113 -14.961  -2.527   2.570
  888    HA   LEU 113           HA       LEU 113 -15.776  -0.934   0.496
  889   1HB   LEU 113          2HB       LEU 113 -16.702  -3.447   1.731
  890   2HB   LEU 113          1HB       LEU 113 -17.425  -2.784   0.312
  891    HG   LEU 113           HG       LEU 113 -14.673  -3.737   0.650
  892   1HD1  LEU 113          1HD1      LEU 113 -16.943  -4.752  -1.044
  893   2HD1  LEU 113          2HD1      LEU 113 -16.343  -5.512   0.423
  894   3HD1  LEU 113          3HD1      LEU 113 -15.326  -5.453  -1.025
  895   1HD2  LEU 113          1HD2      LEU 113 -14.371  -3.347  -1.785
  896   2HD2  LEU 113          2HD2      LEU 113 -14.582  -1.872  -0.855
  897   3HD2  LEU 113          3HD2      LEU 113 -15.925  -2.511  -1.806
  898    H    ALA 114           H        ALA 114 -16.677   0.933   1.175
  899    HA   ALA 114           HA       ALA 114 -19.331   0.760   2.304
  900   1HB   ALA 114          1HB       ALA 114 -17.892   1.168   4.258
  901   2HB   ALA 114          2HB       ALA 114 -18.871   2.591   3.892
  902   3HB   ALA 114          3HB       ALA 114 -17.169   2.550   3.435