*HEADER    SIGNALING PROTEIN                       02-AUG-00   1FHO              
*TITLE     SOLUTION STRUCTURE OF THE PH DOMAIN FROM THE C. ELEGANS               
*TITLE    2 MUSCLE PROTEIN UNC-89                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNC-89;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PLECKSTRIN HOMOLOGY (PH) DOMAIN;                           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS;                         
*SOURCE   3 ORGANISM_COMMON: NEMATODE;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PBAT4                                     
*KEYWDS    PLECKSTRIN HOMOLOGY DOMAIN, ELECTROSTATICS, MUSCLE, SIGNAL            
*KEYWDS   2 TRANSDUCTION                                                         
*EXPDTA    NMR, 25 STRUCTURES                                                    
*AUTHOR    N.BLOMBERG, E.BARALDI, M.SATTLER, M.SARASTE, M.NILGES                 
*REVDAT   1   04-OCT-00 1FHO    0                                                
!!! unambiguous restraints
 ASSI {    8}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      2.400     0.700     0.700 peak     8 weight  0.10000E+01 volume  0.57340E+06 ppm1      4.056 ppm2      1.877
 ASSI {    9}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.100     2.100     3.400 peak     9 weight  0.10000E+01 volume  0.13340E+07 ppm1      4.056 ppm2      1.617
 ASSI {   10}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB3 ))
      2.500     0.800     0.800 peak    10 weight  0.10000E+01 volume  0.48360E+06 ppm1      4.056 ppm2      1.757
 ASSI {   11}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HG3 ))
      2.600     0.800     0.800 peak    11 weight  0.10000E+01 volume  0.37460E+06 ppm1      4.056 ppm2      2.040
 OR {   11}
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HG2 ))
 ASSI {   16}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HB2 ))
      1.600     1.600     3.900 peak    16 weight  0.10000E+01 volume  0.69710E+07 ppm1      1.882 ppm2      1.617
 OR {   16}
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 118  and name HB3 ))
 ASSI {   19}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
      2.600     0.800     0.800 peak    19 weight  0.10000E+01 volume  0.38210E+06 ppm1      1.798 ppm2      3.736
 OR {   19}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 102  and name HA  ))
 ASSI {   20}
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 116  and name HB% )
      2.000     0.500     0.500 peak    20 weight  0.10000E+01 volume  0.16370E+07 ppm1      4.098 ppm2      1.274
 ASSI {   29}
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HA  ))
      5.500     3.800     0.000 peak    29 weight  0.10000E+01 volume -0.10670E+07 ppm1      3.962 ppm2      4.101
 ASSI {   30}
   (  segid "    " and resid 115  and name HB% )
   (( segid "    " and resid 115  and name HA  ))
      1.800     0.400     0.400 peak    30 weight  0.10000E+01 volume  0.33470E+07 ppm1      1.284 ppm2      3.946
 ASSI {   34}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
      2.200     0.600     0.600 peak    34 weight  0.10000E+01 volume  0.10820E+07 ppm1      4.195 ppm2      2.919
 OR {   34}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 114  and name HA  ))
   (  segid "    " and resid 114  and name HD% )
      2.400     0.700     0.700 peak    35 weight  0.10000E+01 volume  0.70300E+06 ppm1      4.195 ppm2      6.950
 ASSI {   38}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HD2 ))
      2.400     0.700     0.700 peak    38 weight  0.10000E+01 volume  0.60650E+06 ppm1      3.929 ppm2      1.627
 ASSI {   43}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 111  and name HG2 ))
      2.400     2.400     3.100 peak    43 weight  0.10000E+01 volume  0.65650E+06 ppm1      1.943 ppm2      2.462
 OR {   43}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 111  and name HG3 ))
 OR {   43}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 111  and name HG3 ))
 ASSI {   44}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      2.200     2.200     3.300 peak    44 weight  0.10000E+01 volume  0.93640E+06 ppm1      1.943 ppm2      2.294
 ASSI {   46}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB3 ))
      2.000     0.500     0.500 peak    46 weight  0.10000E+01 volume  0.19440E+07 ppm1      3.951 ppm2      1.971
 OR {   46}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
 ASSI {   51}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HG2 ))
      1.800     0.400     0.400 peak    51 weight  0.10000E+01 volume  0.35930E+07 ppm1      1.978 ppm2      2.239
 OR {   51}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HG3 ))
 OR {   51}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 112  and name HG2 ))
 ASSI {   53}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 106  and name HA  ))
      2.700     2.700     2.800 peak    53 weight  0.10000E+01 volume  0.29620E+06 ppm1      1.978 ppm2      4.255
 OR {   53}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 106  and name HA  ))
 ASSI {   56}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG2 ))
      2.700     0.900     0.900 peak    56 weight  0.10000E+01 volume  0.32560E+06 ppm1      4.054 ppm2      2.459
 OR {   56}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG3 ))
 ASSI {   57}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.200     0.600     0.600 peak    57 weight  0.10000E+01 volume  0.11330E+07 ppm1      4.054 ppm2      2.114
 ASSI {   58}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB3 ))
      2.300     0.700     0.700 peak    58 weight  0.10000E+01 volume  0.77550E+06 ppm1      4.054 ppm2      1.918
 ASSI {   60}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG2 ))
      2.600     0.800     0.800 peak    60 weight  0.10000E+01 volume  0.37270E+06 ppm1      2.180 ppm2      2.458
 OR {   60}
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HG3 ))
 ASSI {   65}
   (( segid "    " and resid 110  and name HB2 ))
   (( segid "    " and resid 110  and name HA  ))
      2.200     0.600     0.600 peak    65 weight  0.10000E+01 volume  0.10980E+07 ppm1      1.993 ppm2      3.921
 ASSI {   67}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak    67 weight  0.10000E+01 volume  0.26810E+06 ppm1      1.992 ppm2      4.255
 ASSI {   68}
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HB3 ))
      1.600     0.300     0.600 peak    68 weight  0.10000E+01 volume  0.67090E+07 ppm1      1.971 ppm2      1.664
 ASSI {   75}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 108  and name HA  ))
      1.900     0.500     0.500 peak    75 weight  0.10000E+01 volume  0.22240E+07 ppm1      1.414 ppm2      4.094
 ASSI {   76}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 105  and name HA  ))
      2.200     2.200     3.300 peak    76 weight  0.10000E+01 volume  0.10050E+07 ppm1      1.414 ppm2      3.924
 ASSI {   80}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG13))
      2.500     0.800     0.800 peak    80 weight  0.10000E+01 volume  0.54230E+06 ppm1      3.331 ppm2      1.875
 OR {   80}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HG12))
 ASSI {   81}
   (( segid "    " and resid 107  and name HB  ))
   (  segid "    " and resid 107  and name HG2%)
      2.000     0.500     0.500 peak    81 weight  0.10000E+01 volume  0.18990E+07 ppm1      1.703 ppm2      0.708
 ASSI {   83}
   (( segid "    " and resid 107  and name HB  ))
   (( segid "    " and resid 104  and name HA  ))
      2.900     1.100     1.100 peak    83 weight  0.10000E+01 volume  0.19290E+06 ppm1      1.703 ppm2      3.860
 ASSI {   84}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
      2.000     0.500     0.500 peak    84 weight  0.10000E+01 volume  0.20330E+07 ppm1      4.250 ppm2      2.035
 OR {   84}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
 ASSI {   88}
   (( segid "    " and resid 106  and name HB3 ))
   (  segid "    " and resid 11   and name HG2%)
      3.000     1.100     1.100 peak    88 weight  0.10000E+01 volume  0.17740E+06 ppm1      2.069 ppm2      0.501
 OR {   88}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI {   92}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.500     2.500     3.000 peak    92 weight  0.10000E+01 volume  0.45270E+06 ppm1      3.923 ppm2      1.577
 ASSI {   93}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.100     0.600     0.600 peak    93 weight  0.10000E+01 volume  0.12750E+07 ppm1      1.752 ppm2      3.919
 OR {   93}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HA  ))
 ASSI {   95}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 104  and name HD2%)
      2.400     2.400     3.100 peak    95 weight  0.10000E+01 volume  0.68170E+06 ppm1      1.752 ppm2      0.691
 OR {   95}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 104  and name HD1%)
 OR {   95}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 104  and name HD2%)
 OR {   95}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 104  and name HD1%)
 ASSI {   96}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 104  and name HD1%)
      2.100     2.100     3.400 peak    96 weight  0.10000E+01 volume  0.14890E+07 ppm1      3.903 ppm2      0.696
 ASSI {   97}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.200     2.200     3.300 peak    97 weight  0.10000E+01 volume  0.10750E+07 ppm1      3.903 ppm2      1.313
 ASSI {   99}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HD2 ))
      1.900     1.900     3.600 peak    99 weight  0.10000E+01 volume  0.26670E+07 ppm1      3.903 ppm2      1.630
 OR {   99}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HD3 ))
 ASSI {  100}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB3 ))
      2.100     0.600     0.600 peak   100 weight  0.10000E+01 volume  0.13350E+07 ppm1      1.746 ppm2      1.320
 ASSI {  103}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak   103 weight  0.10000E+01 volume  0.34950E+06 ppm1      1.746 ppm2      3.873
 ASSI {  105}
   (( segid "    " and resid 104  and name HB3 ))
   (  segid "    " and resid 104  and name HD1%)
      2.300     0.700     0.700 peak   105 weight  0.10000E+01 volume  0.90600E+06 ppm1      1.329 ppm2      0.703
 ASSI {  107}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB3 ))
      2.900     1.100     1.100 peak   107 weight  0.10000E+01 volume  0.22300E+06 ppm1      3.470 ppm2      2.737
 ASSI {  108}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   108 weight  0.10000E+01 volume  0.28760E+06 ppm1      3.470 ppm2      3.093
 ASSI {  113}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 102  and name HA  ))
      2.000     0.500     0.500 peak   113 weight  0.10000E+01 volume  0.19200E+07 ppm1      1.042 ppm2      3.742
 ASSI {  114}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 99   and name HA  ))
      2.500     0.800     0.800 peak   114 weight  0.10000E+01 volume  0.48810E+06 ppm1      1.042 ppm2      3.471
 ASSI {  117}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.100     2.100     3.400 peak   117 weight  0.10000E+01 volume  0.14270E+07 ppm1      3.731 ppm2      1.738
 ASSI {  119}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HG2 ))
      1.900     0.500     0.500 peak   119 weight  0.10000E+01 volume  0.25950E+07 ppm1      1.701 ppm2      1.220
 ASSI {  121}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600     0.800     0.800 peak   121 weight  0.10000E+01 volume  0.38570E+06 ppm1      1.583 ppm2      3.716
 ASSI {  122}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.000     0.500     0.500 peak   122 weight  0.10000E+01 volume  0.18530E+07 ppm1      3.765 ppm2      1.884
 OR {  122}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  124}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 99   and name HA  ))
      2.400     2.400     3.100 peak   124 weight  0.10000E+01 volume  0.69920E+06 ppm1      1.883 ppm2      3.482
 OR {  124}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 99   and name HA  ))
 ASSI {  127}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 97   and name HB3 ))
      1.500     1.500     4.000 peak   127 weight  0.10000E+01 volume  0.90720E+07 ppm1      1.890 ppm2      1.682
 ASSI {  128}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
      5.500     3.800     0.000 peak   128 weight  0.10000E+01 volume -0.14400E+07 ppm1      1.890 ppm2      1.517
 ASSI {  130}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HG1%)
      2.300     0.700     0.700 peak   130 weight  0.10000E+01 volume  0.85260E+06 ppm1      3.469 ppm2      0.930
 ASSI {  131}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HG2%)
      2.500     0.800     0.800 peak   131 weight  0.10000E+01 volume  0.46910E+06 ppm1      3.469 ppm2      0.465
 ASSI {  137}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 98   and name HD% )
      2.200     0.600     0.600 peak   137 weight  0.10000E+01 volume  0.97850E+06 ppm1      2.958 ppm2      6.940
 OR {  137}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 98   and name HD% )
 ASSI {  140}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB2 ))
      1.900     1.900     3.600 peak   140 weight  0.10000E+01 volume  0.27100E+07 ppm1      3.903 ppm2      1.932
 ASSI {  146}
   (( segid "    " and resid 97   and name HB3 ))
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.800     0.800 peak   146 weight  0.10000E+01 volume  0.39230E+06 ppm1      1.676 ppm2      3.882
 ASSI {  149}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
      1.500     0.300     0.700 peak   149 weight  0.10000E+01 volume  0.90490E+07 ppm1      3.715 ppm2      3.763
 ASSI {  150}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.100     1.100 peak   150 weight  0.10000E+01 volume  0.19260E+06 ppm1      3.715 ppm2      4.113
 OR {  150}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
 ASSI {  151}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HG2%)
      2.200     0.600     0.600 peak   151 weight  0.10000E+01 volume  0.10690E+07 ppm1      4.511 ppm2      0.917
 ASSI {  153}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      2.500     0.800     0.800 peak   153 weight  0.10000E+01 volume  0.44590E+06 ppm1      4.161 ppm2      2.900
 ASSI {  154}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.500     0.800     0.800 peak   154 weight  0.10000E+01 volume  0.47070E+06 ppm1      4.161 ppm2      3.151
 ASSI {  156}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HB3 ))
      1.900     0.500     0.500 peak   156 weight  0.10000E+01 volume  0.26320E+07 ppm1      3.145 ppm2      2.901
 ASSI {  158}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 93   and name HD% )
      2.800     1.000     1.000 peak   158 weight  0.10000E+01 volume  0.24940E+06 ppm1      3.145 ppm2      7.117
 ASSI {  161}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 93   and name HD% )
      2.600     0.800     0.800 peak   161 weight  0.10000E+01 volume  0.42210E+06 ppm1      2.904 ppm2      7.107
 ASSI {  163}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 93   and name HE% )
      2.600     2.600     2.900 peak   163 weight  0.10000E+01 volume  0.41190E+06 ppm1      2.904 ppm2      6.949
 ASSI {  164}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.500     0.800     0.800 peak   164 weight  0.10000E+01 volume  0.53340E+06 ppm1      4.531 ppm2      2.520
 ASSI {  167}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      2.700     0.900     0.900 peak   167 weight  0.10000E+01 volume  0.28800E+06 ppm1      4.531 ppm2      2.290
 ASSI {  171}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HB3 ))
      1.800     0.400     0.400 peak   171 weight  0.10000E+01 volume  0.36940E+07 ppm1      2.527 ppm2      2.305
 ASSI {  172}
   (( segid "    " and resid 81   and name HD3 ))
   (( segid "    " and resid 80   and name HB2 ))
      1.900     1.900     3.600 peak   172 weight  0.10000E+01 volume  0.29270E+07 ppm1      3.645 ppm2      1.887
 OR {  172}
   (( segid "    " and resid 81   and name HD2 ))
   (( segid "    " and resid 80   and name HB2 ))
 ASSI {  174}
   (( segid "    " and resid 81   and name HD3 ))
   (( segid "    " and resid 82   and name HA2 ))
      1.700     1.700     3.800 peak   174 weight  0.10000E+01 volume  0.58790E+07 ppm1      3.645 ppm2      3.505
 OR {  174}
   (( segid "    " and resid 81   and name HD2 ))
   (( segid "    " and resid 82   and name HA2 ))
 ASSI {  181}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HB2 ))
      2.300     0.700     0.700 peak   181 weight  0.10000E+01 volume  0.73150E+06 ppm1      1.082 ppm2      1.245
 ASSI {  184}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.700     0.900     0.900 peak   184 weight  0.10000E+01 volume  0.31700E+06 ppm1      5.390 ppm2      1.886
 ASSI {  186}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB3 ))
      2.900     1.100     1.100 peak   186 weight  0.10000E+01 volume  0.20240E+06 ppm1      5.390 ppm2      1.829
 ASSI {  188}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB  ))
      2.400     0.700     0.700 peak   188 weight  0.10000E+01 volume  0.69920E+06 ppm1      5.911 ppm2      1.290
 ASSI {  189}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HG2%)
      2.300     0.700     0.700 peak   189 weight  0.10000E+01 volume  0.90390E+06 ppm1      5.911 ppm2      0.585
 ASSI {  190}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     2.800     2.700 peak   190 weight  0.10000E+01 volume  0.25300E+06 ppm1      5.911 ppm2      4.811
 ASSI {  191}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      2.900     2.900     2.600 peak   191 weight  0.10000E+01 volume  0.20490E+06 ppm1      5.911 ppm2      0.686
 ASSI {  196}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.400     0.700     0.700 peak   196 weight  0.10000E+01 volume  0.69000E+06 ppm1      5.238 ppm2      1.363
 ASSI {  198}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.800     1.000     1.000 peak   198 weight  0.10000E+01 volume  0.25060E+06 ppm1      5.238 ppm2      1.621
 ASSI {  199}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      2.900     1.100     1.100 peak   199 weight  0.10000E+01 volume  0.22630E+06 ppm1      5.238 ppm2      0.538
 ASSI {  201}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      2.300     0.700     0.700 peak   201 weight  0.10000E+01 volume  0.89350E+06 ppm1      5.238 ppm2      4.393
 ASSI {  206}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.200     0.600     0.600 peak   206 weight  0.10000E+01 volume  0.99730E+06 ppm1      5.718 ppm2      2.631
 OR {  206}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
 ASSI {  207}
   (( segid "    " and resid 86   and name HA  ))
   (  segid "    " and resid 86   and name HD% )
      2.600     2.600     2.900 peak   207 weight  0.10000E+01 volume  0.36820E+06 ppm1      5.718 ppm2      6.605
 ASSI {  210}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 76   and name HD1%)
      2.300     2.300     3.200 peak   210 weight  0.10000E+01 volume  0.75310E+06 ppm1      2.647 ppm2      0.546
 OR {  210}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 76   and name HD1%)
 ASSI {  211}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 86   and name HD% )
      2.500     0.800     0.800 peak   211 weight  0.10000E+01 volume  0.44250E+06 ppm1      2.647 ppm2      6.601
 OR {  211}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD% )
 ASSI {  214}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
      1.900     0.500     0.500 peak   214 weight  0.10000E+01 volume  0.22640E+07 ppm1      4.865 ppm2      3.733
 OR {  214}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  225}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.100     2.100     3.400 peak   225 weight  0.10000E+01 volume  0.12400E+07 ppm1      1.886 ppm2      1.366
 ASSI {  226}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HG2%)
      2.400     0.700     0.700 peak   226 weight  0.10000E+01 volume  0.67330E+06 ppm1      4.178 ppm2      0.530
 ASSI {  228}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
      2.400     0.700     0.700 peak   228 weight  0.10000E+01 volume  0.67220E+06 ppm1      4.178 ppm2      0.689
 ASSI {  231}
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak   231 weight  0.10000E+01 volume  0.37060E+06 ppm1      1.521 ppm2      4.169
 ASSI {  234}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak   234 weight  0.10000E+01 volume  0.79760E+06 ppm1      4.655 ppm2      0.741
 ASSI {  235}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak   235 weight  0.10000E+01 volume  0.30640E+06 ppm1      4.655 ppm2      5.386
 ASSI {  237}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.500     0.800     0.800 peak   237 weight  0.10000E+01 volume  0.48010E+06 ppm1      3.805 ppm2      2.454
 ASSI {  238}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD2%)
      2.600     2.600     2.900 peak   238 weight  0.10000E+01 volume  0.43320E+06 ppm1      4.582 ppm2      0.593
 ASSI {  239}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak   239 weight  0.10000E+01 volume  0.59410E+06 ppm1      4.582 ppm2      1.350
 ASSI {  241}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.52360E+06 ppm1      4.582 ppm2      1.525
 ASSI {  243}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      3.200     1.300     1.300 peak   243 weight  0.10000E+01 volume  0.10350E+06 ppm1      4.582 ppm2      0.668
 ASSI {  249}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.400     0.700     0.700 peak   249 weight  0.10000E+01 volume  0.57950E+06 ppm1      4.562 ppm2      1.998
 ASSI {  250}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.300     0.700     0.700 peak   250 weight  0.10000E+01 volume  0.86770E+06 ppm1      4.562 ppm2      2.199
 ASSI {  254}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HB3 ))
      2.000     0.500     0.500 peak   254 weight  0.10000E+01 volume  0.20880E+07 ppm1      2.193 ppm2      2.012
 ASSI {  262}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.200     0.600     0.600 peak   262 weight  0.10000E+01 volume  0.11380E+07 ppm1      4.309 ppm2      1.892
 ASSI {  264}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
      2.400     0.700     0.700 peak   264 weight  0.10000E+01 volume  0.59900E+06 ppm1      4.309 ppm2      1.185
 ASSI {  268}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
      2.400     0.700     0.700 peak   268 weight  0.10000E+01 volume  0.57280E+06 ppm1      3.791 ppm2      3.888
 ASSI {  271}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.500     0.800     0.800 peak   271 weight  0.10000E+01 volume  0.47440E+06 ppm1      4.043 ppm2      2.461
 ASSI {  273}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB3 ))
      2.200     0.600     0.600 peak   273 weight  0.10000E+01 volume  0.11390E+07 ppm1      3.538 ppm2      2.453
 ASSI {  275}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     2.900     2.600 peak   275 weight  0.10000E+01 volume  0.22260E+06 ppm1      3.538 ppm2      3.800
 ASSI {  278}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      2.800     2.800     2.700 peak   278 weight  0.10000E+01 volume  0.23500E+06 ppm1      2.438 ppm2      3.805
 ASSI {  284}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
      2.800     1.000     1.000 peak   284 weight  0.10000E+01 volume  0.25180E+06 ppm1      1.895 ppm2      0.672
 ASSI {  285}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.200     0.600     0.600 peak   285 weight  0.10000E+01 volume  0.10000E+07 ppm1      4.616 ppm2      1.821
 ASSI {  286}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.300     0.700     0.700 peak   286 weight  0.10000E+01 volume  0.91210E+06 ppm1      4.616 ppm2      1.549
 ASSI {  287}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak   287 weight  0.10000E+01 volume  0.31080E+06 ppm1      4.616 ppm2      1.355
 ASSI {  290}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.400     2.400     3.100 peak   290 weight  0.10000E+01 volume  0.58210E+06 ppm1      1.809 ppm2      6.904
 ASSI {  291}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 75   and name HG1%)
      2.100     2.100     3.400 peak   291 weight  0.10000E+01 volume  0.12460E+07 ppm1      1.809 ppm2      0.834
 ASSI {  293}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG2 ))
      2.100     2.100     3.400 peak   293 weight  0.10000E+01 volume  0.13830E+07 ppm1      1.809 ppm2      1.341
 ASSI {  296}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG3 ))
      1.900     0.500     0.500 peak   296 weight  0.10000E+01 volume  0.24390E+07 ppm1      1.576 ppm2      1.245
 ASSI {  297}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HG2 ))
      1.900     1.900     3.600 peak   297 weight  0.10000E+01 volume  0.22430E+07 ppm1      1.576 ppm2      1.362
 ASSI {  298}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.400     0.500 peak   298 weight  0.10000E+01 volume  0.49810E+07 ppm1      1.576 ppm2      1.822
 ASSI {  302}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG13))
      2.600     0.800     0.800 peak   302 weight  0.10000E+01 volume  0.39110E+06 ppm1      5.100 ppm2      1.392
 ASSI {  304}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      2.700     0.900     0.900 peak   304 weight  0.10000E+01 volume  0.32050E+06 ppm1      5.100 ppm2      0.963
 ASSI {  307}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.100     0.600     0.600 peak   307 weight  0.10000E+01 volume  0.12830E+07 ppm1      1.590 ppm2      0.649
 ASSI {  309}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak   309 weight  0.10000E+01 volume  0.31250E+06 ppm1      1.590 ppm2      5.099
 ASSI {  310}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HG13))
      2.800     1.000     1.000 peak   310 weight  0.10000E+01 volume  0.25810E+06 ppm1      1.590 ppm2      1.375
 OR {  310}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HG12))
 ASSI {  312}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.100     0.600     0.600 peak   312 weight  0.10000E+01 volume  0.13390E+07 ppm1      4.927 ppm2      2.541
 OR {  312}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  314}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak   314 weight  0.10000E+01 volume  0.11160E+07 ppm1      2.544 ppm2      2.019
 OR {  314}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  318}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 78   and name HA  ))
      2.300     2.300     3.200 peak   318 weight  0.10000E+01 volume  0.83780E+06 ppm1      4.624 ppm2      3.439
 ASSI {  319}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.200     0.600     0.600 peak   319 weight  0.10000E+01 volume  0.96080E+06 ppm1      4.624 ppm2      2.540
 ASSI {  320}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.200     1.300     1.300 peak   320 weight  0.10000E+01 volume  0.12370E+06 ppm1      4.624 ppm2      2.342
 ASSI {  321}
   (( segid "    " and resid 62   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      2.400     0.700     0.700 peak   321 weight  0.10000E+01 volume  0.57310E+06 ppm1      2.353 ppm2      6.902
 ASSI {  323}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.300     0.700     0.700 peak   323 weight  0.10000E+01 volume  0.82180E+06 ppm1      4.316 ppm2      1.797
 OR {  323}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  324}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG3 ))
      2.000     0.500     0.500 peak   324 weight  0.10000E+01 volume  0.18110E+07 ppm1      4.333 ppm2      1.346
 OR {  324}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  329}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      2.500     2.500     3.000 peak   329 weight  0.10000E+01 volume  0.49300E+06 ppm1      1.797 ppm2      6.920
 OR {  329}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
 ASSI {  331}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HG2 ))
      1.900     0.500     0.500 peak   331 weight  0.10000E+01 volume  0.22490E+07 ppm1      1.797 ppm2      1.341
 OR {  331}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG3 ))
 OR {  331}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI {  334}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.400     0.700     0.700 peak   334 weight  0.10000E+01 volume  0.56330E+06 ppm1      4.319 ppm2      2.660
 ASSI {  339}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.000     0.500     0.500 peak   339 weight  0.10000E+01 volume  0.16550E+07 ppm1      2.223 ppm2      2.657
 ASSI {  341}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak   341 weight  0.10000E+01 volume  0.12090E+07 ppm1      2.223 ppm2      4.329
 ASSI {  344}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak   344 weight  0.10000E+01 volume  0.57490E+06 ppm1      3.763 ppm2      1.390
 ASSI {  347}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      2.300     0.700     0.700 peak   347 weight  0.10000E+01 volume  0.78760E+06 ppm1      3.763 ppm2      0.699
 ASSI {  348}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.200     0.600     0.600 peak   348 weight  0.10000E+01 volume  0.10180E+07 ppm1      4.488 ppm2      1.577
 ASSI {  349}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG3 ))
      2.500     2.500     3.000 peak   349 weight  0.10000E+01 volume  0.45200E+06 ppm1      4.488 ppm2      2.084
 OR {  349}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
 ASSI {  350}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     2.700     2.800 peak   350 weight  0.10000E+01 volume  0.31840E+06 ppm1      4.488 ppm2      5.198
 ASSI {  351}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.900     1.100     1.100 peak   351 weight  0.10000E+01 volume  0.22460E+06 ppm1      4.488 ppm2      1.667
 ASSI {  355}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG2 ))
      2.200     0.600     0.600 peak   355 weight  0.10000E+01 volume  0.10070E+07 ppm1      1.560 ppm2      2.098
 OR {  355}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HG3 ))
 OR {  355}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG3 ))
 ASSI {  356}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD2 ))
      2.800     1.000     1.000 peak   356 weight  0.10000E+01 volume  0.27700E+06 ppm1      1.560 ppm2      2.958
 OR {  356}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HD3 ))
 OR {  356}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HD2 ))
 ASSI {  358}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 57   and name HG2%)
      2.400     0.700     0.700 peak   358 weight  0.10000E+01 volume  0.62680E+06 ppm1      4.641 ppm2      0.656
 ASSI {  364}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   364 weight  0.10000E+01 volume  0.48120E+06 ppm1      1.572 ppm2      4.642
 ASSI {  366}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 31   and name HD% )
      2.600     0.800     0.800 peak   366 weight  0.10000E+01 volume  0.38550E+06 ppm1      5.574 ppm2      6.981
 ASSI {  367}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.600     0.800     0.800 peak   367 weight  0.10000E+01 volume  0.39420E+06 ppm1      5.574 ppm2      2.480
 ASSI {  368}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.800     1.000     1.000 peak   368 weight  0.10000E+01 volume  0.25520E+06 ppm1      5.574 ppm2      1.921
 ASSI {  369}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   369 weight  0.10000E+01 volume  0.23810E+06 ppm1      5.574 ppm2      4.906
 ASSI {  370}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak   370 weight  0.10000E+01 volume  0.38310E+06 ppm1      3.632 ppm2      5.539
 ASSI {  374}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      2.600     0.800     0.800 peak   374 weight  0.10000E+01 volume  0.43810E+06 ppm1      3.559 ppm2      5.541
 ASSI {  378}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD% )
      2.400     0.700     0.700 peak   378 weight  0.10000E+01 volume  0.60540E+06 ppm1      2.702 ppm2      6.842
 ASSI {  379}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.100     2.100     3.400 peak   379 weight  0.10000E+01 volume  0.13650E+07 ppm1      2.702 ppm2      2.030
 ASSI {  383}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak   383 weight  0.10000E+01 volume  0.87170E+06 ppm1      4.432 ppm2      3.597
 OR {  383}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI {  392}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB  ))
      2.100     0.600     0.600 peak   392 weight  0.10000E+01 volume  0.14120E+07 ppm1      4.214 ppm2      3.971
 ASSI {  395}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 46   and name HG2%)
      1.900     0.500     0.500 peak   395 weight  0.10000E+01 volume  0.24620E+07 ppm1      4.019 ppm2      0.856
 ASSI {  399}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak   399 weight  0.10000E+01 volume  0.12620E+07 ppm1      4.066 ppm2      3.757
 ASSI {  400}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.300     2.300     3.200 peak   400 weight  0.10000E+01 volume  0.83880E+06 ppm1      4.066 ppm2      3.689
 ASSI {  403}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.600     2.600     2.900 peak   403 weight  0.10000E+01 volume  0.35410E+06 ppm1      3.758 ppm2      4.159
 ASSI {  404}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.200     0.600     0.600 peak   404 weight  0.10000E+01 volume  0.10320E+07 ppm1      4.156 ppm2      1.192
 ASSI {  416}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.700     0.900     0.900 peak   416 weight  0.10000E+01 volume  0.33920E+06 ppm1      4.835 ppm2     -0.166
 ASSI {  417}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HD1%)
      2.900     1.100     1.100 peak   417 weight  0.10000E+01 volume  0.19130E+06 ppm1      4.835 ppm2      0.418
 ASSI {  419}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.400     0.700     0.700 peak   419 weight  0.10000E+01 volume  0.63790E+06 ppm1      5.222 ppm2      1.381
 ASSI {  420}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.400     0.700     0.700 peak   420 weight  0.10000E+01 volume  0.69750E+06 ppm1      5.222 ppm2      1.550
 ASSI {  424}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HB3 ))
      2.100     0.600     0.600 peak   424 weight  0.10000E+01 volume  0.15650E+07 ppm1      1.542 ppm2      1.377
 ASSI {  429}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HG  ))
      2.300     2.300     3.200 peak   429 weight  0.10000E+01 volume  0.85930E+06 ppm1      4.786 ppm2      0.738
 ASSI {  431}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.600     0.800     0.800 peak   431 weight  0.10000E+01 volume  0.40680E+06 ppm1      4.786 ppm2      0.801
 ASSI {  432}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak   432 weight  0.10000E+01 volume  0.24870E+06 ppm1      4.786 ppm2      1.031
 ASSI {  438}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      2.600     0.800     0.800 peak   438 weight  0.10000E+01 volume  0.41330E+06 ppm1      4.909 ppm2      2.332
 OR {  438}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  439}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   439 weight  0.10000E+01 volume  0.31910E+06 ppm1      4.909 ppm2      2.823
 ASSI {  448}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.100     0.600     0.600 peak   448 weight  0.10000E+01 volume  0.13580E+07 ppm1      4.329 ppm2      1.412
 ASSI {  449}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG3 ))
      2.700     0.900     0.900 peak   449 weight  0.10000E+01 volume  0.32990E+06 ppm1      4.329 ppm2      1.165
 OR {  449}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {  450}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.600     0.800     0.800 peak   450 weight  0.10000E+01 volume  0.37860E+06 ppm1      4.329 ppm2      1.262
 ASSI {  452}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.400     0.700     0.700 peak   452 weight  0.10000E+01 volume  0.56960E+06 ppm1      4.728 ppm2      2.320
 ASSI {  453}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   453 weight  0.10000E+01 volume  0.62550E+06 ppm1      4.728 ppm2      2.722
 ASSI {  454}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB3 ))
      1.800     0.400     0.400 peak   454 weight  0.10000E+01 volume  0.38490E+07 ppm1      2.721 ppm2      2.317
 ASSI {  460}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 21   and name HA2 ))
      1.900     0.500     0.500 peak   460 weight  0.10000E+01 volume  0.26940E+07 ppm1      3.693 ppm2      3.512
 ASSI {  466}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak   466 weight  0.10000E+01 volume  0.81770E+06 ppm1      4.390 ppm2      1.647
 ASSI {  467}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.300     0.700     0.700 peak   467 weight  0.10000E+01 volume  0.81080E+06 ppm1      4.390 ppm2      1.473
 ASSI {  470}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
      5.500     3.800     0.000 peak   470 weight  0.10000E+01 volume -0.99280E+05 ppm1      1.708 ppm2      1.862
 OR {  470}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  472}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.700     0.400     0.500 peak   472 weight  0.10000E+01 volume  0.59370E+07 ppm1      1.507 ppm2      1.664
 ASSI {  473}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG2 ))
      1.900     1.900     3.600 peak   473 weight  0.10000E+01 volume  0.25020E+07 ppm1      1.507 ppm2      1.804
 OR {  473}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  475}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.300     0.700     0.700 peak   475 weight  0.10000E+01 volume  0.90710E+06 ppm1      4.812 ppm2      0.576
 ASSI {  479}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.400     0.700     0.700 peak   479 weight  0.10000E+01 volume  0.65940E+06 ppm1      4.184 ppm2      1.266
 ASSI {  481}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.200     2.200     3.300 peak   481 weight  0.10000E+01 volume  0.10440E+07 ppm1      4.184 ppm2      1.569
 ASSI {  482}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 88   and name HG2%)
      2.400     2.400     3.100 peak   482 weight  0.10000E+01 volume  0.59860E+06 ppm1      4.184 ppm2      0.587
 ASSI {  486}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      5.500     3.800     0.000 peak   486 weight  0.10000E+01 volume -0.34370E+07 ppm1      1.584 ppm2      2.017
 ASSI {  487}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      2.000     0.500     0.500 peak   487 weight  0.10000E+01 volume  0.20880E+07 ppm1      1.267 ppm2      1.600
 ASSI {  488}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.200     0.600     0.600 peak   488 weight  0.10000E+01 volume  0.12200E+07 ppm1      1.267 ppm2      1.778
 OR {  488}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  491}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 90   and name HA  ))
      2.400     2.400     3.100 peak   491 weight  0.10000E+01 volume  0.66820E+06 ppm1      4.602 ppm2      3.405
 ASSI {  492}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     1.000     1.000 peak   492 weight  0.10000E+01 volume  0.25130E+06 ppm1      4.602 ppm2      2.027
 ASSI {  493}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak   493 weight  0.10000E+01 volume  0.39490E+06 ppm1      4.602 ppm2      2.534
 ASSI {  507}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     0.800     0.800 peak   507 weight  0.10000E+01 volume  0.48570E+06 ppm1      1.945 ppm2      2.463
 ASSI {  508}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.000     2.000     3.500 peak   508 weight  0.10000E+01 volume  0.21160E+07 ppm1      1.945 ppm2      1.622
 OR {  508}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  510}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.400     0.700     0.700 peak   510 weight  0.10000E+01 volume  0.69940E+06 ppm1      4.075 ppm2      0.788
 OR {  510}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  511}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB  ))
      2.500     2.500     3.000 peak   511 weight  0.10000E+01 volume  0.50750E+06 ppm1      4.075 ppm2      1.023
 ASSI {  514}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
      2.300     2.300     3.200 peak   514 weight  0.10000E+01 volume  0.91310E+06 ppm1      0.766 ppm2      1.013
 OR {  514}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 11   and name HB  ))
 ASSI {  515}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      2.300     0.700     0.700 peak   515 weight  0.10000E+01 volume  0.82240E+06 ppm1      3.517 ppm2      0.481
 ASSI {  516}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB  ))
      2.800     1.000     1.000 peak   516 weight  0.10000E+01 volume  0.25190E+06 ppm1      3.517 ppm2      1.065
 ASSI {  518}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     2.800     2.700 peak   518 weight  0.10000E+01 volume  0.26160E+06 ppm1      3.517 ppm2      0.771
 OR {  518}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  520}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HG2%)
      2.500     0.800     0.800 peak   520 weight  0.10000E+01 volume  0.52730E+06 ppm1      3.280 ppm2      0.498
 ASSI {  521}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB  ))
      2.700     0.900     0.900 peak   521 weight  0.10000E+01 volume  0.34340E+06 ppm1      3.280 ppm2      1.441
 ASSI {  523}
   (( segid "    " and resid 10   and name HB  ))
   (  segid "    " and resid 10   and name HG2%)
      2.200     0.600     0.600 peak   523 weight  0.10000E+01 volume  0.12140E+07 ppm1      1.455 ppm2      0.507
 ASSI {  525}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   525 weight  0.10000E+01 volume  0.12140E+07 ppm1      4.077 ppm2      1.628
 OR {  525}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  526}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.700     0.700 peak   526 weight  0.10000E+01 volume  0.91920E+06 ppm1      4.077 ppm2      1.404
 OR {  526}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
 ASSI {  543}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   543 weight  0.10000E+01 volume  0.31920E+06 ppm1      4.895 ppm2      2.002
 ASSI {  544}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.600     0.800     0.800 peak   544 weight  0.10000E+01 volume  0.37790E+06 ppm1      4.895 ppm2      1.847
 ASSI {  546}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
      2.600     0.800     0.800 peak   546 weight  0.10000E+01 volume  0.36720E+06 ppm1      4.937 ppm2      1.404
 ASSI {  547}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.800     0.800 peak   547 weight  0.10000E+01 volume  0.36510E+06 ppm1      4.937 ppm2      1.270
 ASSI {  548}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   548 weight  0.10000E+01 volume  0.48340E+06 ppm1      4.937 ppm2      1.931
 ASSI {  549}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HD2%)
      2.900     1.100     1.100 peak   549 weight  0.10000E+01 volume  0.21130E+06 ppm1      4.937 ppm2      0.370
 ASSI {  550}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
      3.000     3.000     2.500 peak   550 weight  0.10000E+01 volume  0.17100E+06 ppm1      4.937 ppm2      0.658
 ASSI {  551}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   551 weight  0.10000E+01 volume  0.54040E+06 ppm1      4.937 ppm2      5.101
 ASSI {  555}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HD2 ))
      1.900     0.500     0.500 peak   555 weight  0.10000E+01 volume  0.29150E+07 ppm1      4.634 ppm2      3.625
 OR {  555}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI {  559}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   559 weight  0.10000E+01 volume  0.61410E+06 ppm1      4.634 ppm2      1.884
 ASSI {  560}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.900     1.100     1.100 peak   560 weight  0.10000E+01 volume  0.21210E+06 ppm1      4.634 ppm2      1.621
 ASSI {  563}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.200     0.600     0.600 peak   563 weight  0.10000E+01 volume  0.10290E+07 ppm1      4.247 ppm2      2.121
 ASSI {  564}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG2 ))
      2.600     0.800     0.800 peak   564 weight  0.10000E+01 volume  0.40310E+06 ppm1      4.247 ppm2      1.855
 OR {  564}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HG3 ))
 ASSI {  567}
   (( segid "    " and resid 40   and name HB  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   567 weight  0.10000E+01 volume  0.40100E+06 ppm1      4.222 ppm2      5.480
 ASSI {  571}
   (( segid "    " and resid 82   and name HA1 ))
   (( segid "    " and resid 82   and name HA2 ))
      2.000     0.500     0.500 peak   571 weight  0.10000E+01 volume  0.21890E+07 ppm1      3.966 ppm2      3.501
 ASSI {  572}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HD1%)
      2.300     0.700     0.700 peak   572 weight  0.10000E+01 volume  0.82440E+06 ppm1      3.931 ppm2      0.392
 ASSI {  573}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   573 weight  0.10000E+01 volume  0.31350E+06 ppm1      3.931 ppm2      1.304
 ASSI {  578}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.400     0.700     0.700 peak   578 weight  0.10000E+01 volume  0.64900E+06 ppm1      3.945 ppm2     -0.449
 ASSI {  579}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.800     0.800 peak   579 weight  0.10000E+01 volume  0.42040E+06 ppm1      3.945 ppm2      0.627
 ASSI {  580}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   580 weight  0.10000E+01 volume  0.73670E+06 ppm1      3.945 ppm2      4.330
 ASSI {  581}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
      2.200     0.600     0.600 peak   581 weight  0.10000E+01 volume  0.12270E+07 ppm1      3.922 ppm2      2.944
 OR {  581}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
 ASSI {  583}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HD% )
      2.900     1.100     1.100 peak   583 weight  0.10000E+01 volume  0.19820E+06 ppm1      3.922 ppm2      6.927
 ASSI {  616}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ))
      1.700     0.400     0.500 peak   616 weight  0.10000E+01 volume  0.51700E+07 ppm1      2.981 ppm2      1.358
 OR {  616}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG3 ))
 OR {  616}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  616}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HG3 ))
 ASSI {  617}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak   617 weight  0.10000E+01 volume  0.35700E+07 ppm1      2.981 ppm2      1.601
 OR {  617}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  639}
   (( segid "    " and resid 112  and name HG3 ))
   (( segid "    " and resid 112  and name HA  ))
      2.400     0.700     0.700 peak   639 weight  0.10000E+01 volume  0.71490E+06 ppm1      2.247 ppm2      3.934
 OR {  639}
   (( segid "    " and resid 112  and name HG2 ))
   (( segid "    " and resid 112  and name HA  ))
 ASSI {  644}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HB3 ))
      1.700     0.400     0.500 peak   644 weight  0.10000E+01 volume  0.46030E+07 ppm1      2.115 ppm2      1.723
 ASSI {  646}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG3 ))
      2.000     0.500     0.500 peak   646 weight  0.10000E+01 volume  0.18490E+07 ppm1      2.115 ppm2      1.839
 OR {  646}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG2 ))
 ASSI {  648}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HA  ))
      2.100     0.600     0.600 peak   648 weight  0.10000E+01 volume  0.14230E+07 ppm1      2.064 ppm2      3.920
 OR {  648}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  650}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB3 ))
      1.600     0.300     0.600 peak   650 weight  0.10000E+01 volume  0.84150E+07 ppm1      2.064 ppm2      1.762
 OR {  650}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB2 ))
 OR {  650}
   (( segid "    " and resid 71   and name HG3 ))
   (( segid "    " and resid 71   and name HB3 ))
 ASSI {  699}
   (( segid "    " and resid 18   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      2.400     0.700     0.700 peak   699 weight  0.10000E+01 volume  0.64860E+06 ppm1      1.785 ppm2      0.689
 ASSI {  704}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.400     0.700     0.700 peak   704 weight  0.10000E+01 volume  0.71540E+06 ppm1      1.802 ppm2      3.925
 OR {  704}
   (( segid "    " and resid 71   and name HB3 ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  711}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HA  ))
      2.300     0.700     0.700 peak   711 weight  0.10000E+01 volume  0.78720E+06 ppm1      1.722 ppm2      4.236
 ASSI {  715}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HG2 ))
      5.500     3.800     0.000 peak   715 weight  0.10000E+01 volume -0.48040E+06 ppm1      1.722 ppm2      1.868
 OR {  715}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HG3 ))
 ASSI {  722}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HG13))
      2.900     1.100     1.100 peak   722 weight  0.10000E+01 volume  0.21510E+06 ppm1      1.623 ppm2      1.381
 ASSI {  728}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.400     0.700     0.700 peak   728 weight  0.10000E+01 volume  0.68870E+06 ppm1      1.563 ppm2      0.027
 ASSI {  730}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG1%)
      2.400     0.700     0.700 peak   730 weight  0.10000E+01 volume  0.59540E+06 ppm1      1.563 ppm2      0.460
 ASSI {  744}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 57   and name HG2%)
      2.300     2.300     3.200 peak   744 weight  0.10000E+01 volume  0.87540E+06 ppm1      1.411 ppm2      0.668
 ASSI {  752}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB3 ))
      1.400     0.200     0.800 peak   752 weight  0.10000E+01 volume  0.16230E+08 ppm1      1.406 ppm2      1.608
 OR {  752}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HB2 ))
 OR {  752}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  753}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     2.600     2.900 peak   753 weight  0.10000E+01 volume  0.37630E+06 ppm1      1.405 ppm2      3.930
 ASSI {  754}
   (( segid "    " and resid 64   and name HG12))
   (  segid "    " and resid 64   and name HG2%)
      1.900     0.500     0.500 peak   754 weight  0.10000E+01 volume  0.23320E+07 ppm1      1.397 ppm2      0.659
 ASSI {  755}
   (( segid "    " and resid 64   and name HG12))
   (  segid "    " and resid 64   and name HD1%)
      1.800     0.400     0.400 peak   755 weight  0.10000E+01 volume  0.34460E+07 ppm1      1.404 ppm2      0.963
 ASSI {  762}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB3 ))
      2.000     0.500     0.500 peak   762 weight  0.10000E+01 volume  0.21630E+07 ppm1      1.321 ppm2      1.060
 ASSI {  763}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 7    and name HD1%)
      2.400     0.700     0.700 peak   763 weight  0.10000E+01 volume  0.58650E+06 ppm1      1.321 ppm2      0.408
 ASSI {  764}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG  ))
      2.400     0.700     0.700 peak   764 weight  0.10000E+01 volume  0.61230E+06 ppm1      1.321 ppm2      1.750
 ASSI {  765}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      2.500     0.800     0.800 peak   765 weight  0.10000E+01 volume  0.55840E+06 ppm1      1.321 ppm2      0.589
 ASSI {  787}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 89   and name HG3 ))
      1.700     1.700     3.800 peak   787 weight  0.10000E+01 volume  0.46400E+07 ppm1      1.195 ppm2      1.621
 OR {  787}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 89   and name HG2 ))
 OR {  787}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 89   and name HG3 ))
 ASSI {  804}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak   804 weight  0.10000E+01 volume  0.51910E+06 ppm1      1.064 ppm2      3.927
 ASSI {  805}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 7    and name HD1%)
      2.500     0.800     0.800 peak   805 weight  0.10000E+01 volume  0.47760E+06 ppm1      1.064 ppm2      0.409
 ASSI {  808}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE3 ))
      2.400     0.700     0.700 peak   808 weight  0.10000E+01 volume  0.59860E+06 ppm1      1.130 ppm2      2.712
 OR {  808}
   (( segid "    " and resid 91   and name HG2 ))
   (( segid "    " and resid 91   and name HE2 ))
 OR {  808}
   (( segid "    " and resid 91   and name HG3 ))
   (( segid "    " and resid 91   and name HE2 ))
 ASSI {  813}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.000     0.500     0.500 peak   813 weight  0.10000E+01 volume  0.20540E+07 ppm1      0.967 ppm2      3.870
 ASSI {  827}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HB  ))
      1.800     0.400     0.400 peak   827 weight  0.10000E+01 volume  0.37060E+07 ppm1      0.970 ppm2      4.073
 ASSI {  828}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      2.000     0.500     0.500 peak   828 weight  0.10000E+01 volume  0.20450E+07 ppm1      0.970 ppm2      4.347
 ASSI {  831}
   (  segid "    " and resid 99   and name HG1%)
   (( segid "    " and resid 99   and name HB  ))
      2.100     0.600     0.600 peak   831 weight  0.10000E+01 volume  0.14350E+07 ppm1      0.935 ppm2      1.742
 ASSI {  833}
   (  segid "    " and resid 99   and name HG1%)
   (  segid "    " and resid 98   and name HD% )
      2.700     2.700     2.800 peak   833 weight  0.10000E+01 volume  0.33070E+06 ppm1      0.935 ppm2      6.924
 ASSI {  834}
   (  segid "    " and resid 99   and name HG1%)
   (  segid "    " and resid 99   and name HG2%)
      2.000     0.500     0.500 peak   834 weight  0.10000E+01 volume  0.16470E+07 ppm1      0.935 ppm2      0.464
 ASSI {  839}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      2.300     0.700     0.700 peak   839 weight  0.10000E+01 volume  0.77860E+06 ppm1      0.917 ppm2     -0.179
 ASSI {  841}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 59   and name HD1%)
      2.900     1.100     1.100 peak   841 weight  0.10000E+01 volume  0.20980E+06 ppm1      0.917 ppm2      0.533
 ASSI {  844}
   (  segid "    " and resid 15   and name HB% )
   (  segid "    " and resid 27   and name HD2%)
      2.300     2.300     3.200 peak   844 weight  0.10000E+01 volume  0.83690E+06 ppm1      0.933 ppm2      0.589
 ASSI {  848}
   (  segid "    " and resid 15   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.200     0.600     0.600 peak   848 weight  0.10000E+01 volume  0.11650E+07 ppm1      0.933 ppm2      4.456
 ASSI {  851}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak   851 weight  0.10000E+01 volume  0.11220E+07 ppm1      0.836 ppm2      4.212
 ASSI {  854}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 67   and name HD2 ))
      2.200     0.600     0.600 peak   854 weight  0.10000E+01 volume  0.10160E+07 ppm1      0.827 ppm2      6.548
 ASSI {  855}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HB  ))
      2.000     0.500     0.500 peak   855 weight  0.10000E+01 volume  0.18120E+07 ppm1      0.827 ppm2      1.874
 ASSI {  856}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      2.100     0.600     0.600 peak   856 weight  0.10000E+01 volume  0.14080E+07 ppm1      0.827 ppm2      4.366
 ASSI {  857}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.800     0.800 peak   857 weight  0.10000E+01 volume  0.37120E+06 ppm1      0.827 ppm2      5.248
 ASSI {  859}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 87   and name HB3 ))
      2.400     0.700     0.700 peak   859 weight  0.10000E+01 volume  0.63960E+06 ppm1      0.827 ppm2      1.362
 ASSI {  866}
   (  segid "    " and resid 107  and name HD1%)
   (( segid "    " and resid 103  and name HE3 ))
      2.300     0.700     0.700 peak   866 weight  0.10000E+01 volume  0.91790E+06 ppm1      0.771 ppm2      7.004
 ASSI {  867}
   (  segid "    " and resid 107  and name HD1%)
   (( segid "    " and resid 107  and name HB  ))
      2.200     0.600     0.600 peak   867 weight  0.10000E+01 volume  0.94740E+06 ppm1      0.771 ppm2      1.715
 ASSI {  868}
   (  segid "    " and resid 107  and name HD1%)
   (( segid "    " and resid 107  and name HG13))
      2.300     0.700     0.700 peak   868 weight  0.10000E+01 volume  0.87030E+06 ppm1      0.771 ppm2      1.859
 OR {  868}
   (  segid "    " and resid 107  and name HD1%)
   (( segid "    " and resid 107  and name HG12))
 ASSI {  869}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD1%)
      2.000     0.500     0.500 peak   869 weight  0.10000E+01 volume  0.16520E+07 ppm1      0.741 ppm2      0.092
 OR {  869}
   (( segid "    " and resid 32   and name HG  ))
   (  segid "    " and resid 32   and name HD2%)
 ASSI {  872}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.300     0.700     0.700 peak   872 weight  0.10000E+01 volume  0.80580E+06 ppm1      0.741 ppm2      1.056
 ASSI {  873}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HB  ))
      2.200     0.600     0.600 peak   873 weight  0.10000E+01 volume  0.11650E+07 ppm1      0.744 ppm2      3.799
 ASSI {  878}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.200     0.600     0.600 peak   878 weight  0.10000E+01 volume  0.10160E+07 ppm1      0.707 ppm2      1.359
 OR {  878}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  880}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
      5.500     3.800     0.000 peak   880 weight  0.10000E+01 volume -0.42370E+07 ppm1      0.707 ppm2      0.609
 ASSI {  883}
   (  segid "    " and resid 107  and name HG2%)
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.800     0.800 peak   883 weight  0.10000E+01 volume  0.38820E+06 ppm1      0.712 ppm2      3.332
 ASSI {  884}
   (  segid "    " and resid 107  and name HG2%)
   (  segid "    " and resid 32   and name HD1%)
      2.400     2.400     3.100 peak   884 weight  0.10000E+01 volume  0.62500E+06 ppm1      0.712 ppm2      0.090
 OR {  884}
   (  segid "    " and resid 107  and name HG2%)
   (  segid "    " and resid 32   and name HD2%)
 ASSI {  890}
   (  segid "    " and resid 104  and name HD1%)
   (( segid "    " and resid 104  and name HB2 ))
      2.100     0.600     0.600 peak   890 weight  0.10000E+01 volume  0.15520E+07 ppm1      0.697 ppm2      1.726
 ASSI {  893}
   (  segid "    " and resid 104  and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.800     2.800     2.700 peak   893 weight  0.10000E+01 volume  0.25720E+06 ppm1      0.697 ppm2      4.169
 ASSI {  896}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   896 weight  0.10000E+01 volume  0.45140E+06 ppm1      0.696 ppm2      4.810
 ASSI {  897}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 28   and name HB3 ))
      2.400     2.400     3.100 peak   897 weight  0.10000E+01 volume  0.56180E+06 ppm1      0.696 ppm2      1.563
 OR {  897}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  899}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HZ3 ))
      2.400     0.700     0.700 peak   899 weight  0.10000E+01 volume  0.57040E+06 ppm1      0.693 ppm2      6.681
 ASSI {  903}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak   903 weight  0.10000E+01 volume  0.39910E+06 ppm1      0.654 ppm2      5.108
 ASSI {  907}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.300     0.700     0.700 peak   907 weight  0.10000E+01 volume  0.82430E+06 ppm1      0.627 ppm2     -0.449
 ASSI {  912}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HB  ))
      2.200     0.600     0.600 peak   912 weight  0.10000E+01 volume  0.97140E+06 ppm1      0.580 ppm2      1.289
 ASSI {  913}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 88   and name HD1%)
      2.300     0.700     0.700 peak   913 weight  0.10000E+01 volume  0.83890E+06 ppm1      0.580 ppm2     -0.814
 ASSI {  918}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.600     0.600 peak   918 weight  0.10000E+01 volume  0.14200E+07 ppm1      0.579 ppm2      1.788
 ASSI {  921}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   921 weight  0.10000E+01 volume  0.11010E+07 ppm1      0.565 ppm2      3.767
 ASSI {  925}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.300     0.700     0.700 peak   925 weight  0.10000E+01 volume  0.74850E+06 ppm1      0.565 ppm2      1.369
 ASSI {  930}
   (  segid "    " and resid 74   and name HG2%)
   (( segid "    " and resid 74   and name HB  ))
      2.300     0.700     0.700 peak   930 weight  0.10000E+01 volume  0.92520E+06 ppm1      0.545 ppm2      1.474
 ASSI {  934}
   (  segid "    " and resid 10   and name HG2%)
   (  segid "    " and resid 33   and name HD% )
      2.300     0.700     0.700 peak   934 weight  0.10000E+01 volume  0.86200E+06 ppm1      0.515 ppm2      6.832
 ASSI {  940}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 32   and name HB2 ))
      2.200     0.600     0.600 peak   940 weight  0.10000E+01 volume  0.96490E+06 ppm1      0.506 ppm2      1.023
 ASSI {  941}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
      2.400     0.700     0.700 peak   941 weight  0.10000E+01 volume  0.59910E+06 ppm1      0.506 ppm2      1.077
 ASSI {  942}
   (  segid "    " and resid 11   and name HG2%)
   (  segid "    " and resid 11   and name HD1%)
      1.900     0.500     0.500 peak   942 weight  0.10000E+01 volume  0.25000E+07 ppm1      0.506 ppm2      0.376
 ASSI {  948}
   (  segid "    " and resid 99   and name HG2%)
   (( segid "    " and resid 103  and name HD1 ))
      2.300     0.700     0.700 peak   948 weight  0.10000E+01 volume  0.88740E+06 ppm1      0.486 ppm2      7.771
 ASSI {  950}
   (  segid "    " and resid 99   and name HG2%)
   (( segid "    " and resid 99   and name HB  ))
      2.100     0.600     0.600 peak   950 weight  0.10000E+01 volume  0.13470E+07 ppm1      0.487 ppm2      1.741
 ASSI {  954}
   (  segid "    " and resid 30   and name HG1%)
   (  segid "    " and resid 30   and name HG2%)
      2.100     0.600     0.600 peak   954 weight  0.10000E+01 volume  0.12760E+07 ppm1      0.458 ppm2      0.023
 ASSI {  955}
   (  segid "    " and resid 30   and name HG1%)
   (  segid "    " and resid 16   and name HD% )
      2.300     0.700     0.700 peak   955 weight  0.10000E+01 volume  0.72510E+06 ppm1      0.458 ppm2      6.318
 ASSI {  956}
   (  segid "    " and resid 30   and name HG1%)
   (  segid "    " and resid 39   and name HD% )
      2.500     0.800     0.800 peak   956 weight  0.10000E+01 volume  0.46050E+06 ppm1      0.458 ppm2      6.676
 ASSI {  958}
   (  segid "    " and resid 30   and name HG1%)
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   958 weight  0.10000E+01 volume  0.56430E+06 ppm1      0.458 ppm2      4.697
 ASSI {  961}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 37   and name HG2%)
      2.100     0.600     0.600 peak   961 weight  0.10000E+01 volume  0.14190E+07 ppm1      0.420 ppm2     -0.170
 ASSI {  962}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 30   and name HG2%)
      2.800     2.800     2.700 peak   962 weight  0.10000E+01 volume  0.24820E+06 ppm1      0.420 ppm2      0.036
 ASSI {  963}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.700     2.700     2.800 peak   963 weight  0.10000E+01 volume  0.30440E+06 ppm1      0.420 ppm2      1.427
 OR {  963}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  964}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HB  ))
      2.200     0.600     0.600 peak   964 weight  0.10000E+01 volume  0.10300E+07 ppm1      0.420 ppm2      0.894
 ASSI {  967}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB  ))
      2.400     0.700     0.700 peak   967 weight  0.10000E+01 volume  0.58490E+06 ppm1      0.418 ppm2      1.060
 ASSI {  968}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG13))
      2.100     0.600     0.600 peak   968 weight  0.10000E+01 volume  0.13900E+07 ppm1      0.418 ppm2      0.755
 ASSI {  972}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 76   and name HD1%)
      1.800     0.400     0.400 peak   972 weight  0.10000E+01 volume  0.38190E+07 ppm1      0.395 ppm2      0.531
 ASSI {  986}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HB2 ))
      2.100     0.600     0.600 peak   986 weight  0.10000E+01 volume  0.13620E+07 ppm1      0.092 ppm2      1.048
 ASSI {  991}
   (  segid "    " and resid 30   and name HG2%)
   (  segid "    " and resid 37   and name HG2%)
      2.100     0.600     0.600 peak   991 weight  0.10000E+01 volume  0.14440E+07 ppm1      0.030 ppm2     -0.170
 ASSI {  993}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 103  and name HH2 ))
      2.500     0.800     0.800 peak   993 weight  0.10000E+01 volume  0.44990E+06 ppm1      0.030 ppm2      6.307
 ASSI {  994}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 103  and name HZ3 ))
      2.400     0.700     0.700 peak   994 weight  0.10000E+01 volume  0.59730E+06 ppm1      0.030 ppm2      6.430
 ASSI {  995}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak   995 weight  0.10000E+01 volume  0.70650E+06 ppm1      0.030 ppm2      4.702
 ASSI { 1005}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 57   and name HG2%)
      2.400     0.700     0.700 peak  1005 weight  0.10000E+01 volume  0.62540E+06 ppm1     -0.213 ppm2      0.657
 ASSI { 1006}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 83   and name HD2%)
      2.300     0.700     0.700 peak  1006 weight  0.10000E+01 volume  0.78290E+06 ppm1     -0.213 ppm2      0.384
 ASSI { 1007}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 83   and name HD1%)
      2.300     0.700     0.700 peak  1007 weight  0.10000E+01 volume  0.83840E+06 ppm1     -0.213 ppm2      0.538
 ASSI { 1008}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HB  ))
      2.800     1.000     1.000 peak  1008 weight  0.10000E+01 volume  0.26680E+06 ppm1     -0.213 ppm2      1.575
 ASSI { 1009}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 86   and name HE% )
      2.800     1.000     1.000 peak  1009 weight  0.10000E+01 volume  0.25520E+06 ppm1     -0.213 ppm2      6.111
 ASSI { 1010}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak  1010 weight  0.10000E+01 volume  0.33840E+06 ppm1     -0.213 ppm2      4.633
 ASSI { 1025}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB  ))
      2.500     0.800     0.800 peak  1025 weight  0.10000E+01 volume  0.53880E+06 ppm1      4.351 ppm2      1.870
 ASSI { 1026}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HD1%)
      3.000     1.100     1.100 peak  1026 weight  0.10000E+01 volume  0.15510E+06 ppm1      4.351 ppm2      0.532
 ASSI { 1027}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 64   and name HD1%)
      2.800     2.800     2.700 peak  1027 weight  0.10000E+01 volume  0.23640E+06 ppm1      4.351 ppm2      0.963
 ASSI { 1030}
   (  segid "    " and resid 40   and name HG2%)
   (( segid "    " and resid 40   and name HB  ))
      2.000     0.500     0.500 peak  1030 weight  0.10000E+01 volume  0.21790E+07 ppm1      1.005 ppm2      4.216
 ASSI { 1036}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 88   and name HD1%)
      2.600     0.800     0.800 peak  1036 weight  0.10000E+01 volume  0.40830E+06 ppm1      0.544 ppm2     -0.818
 ASSI { 1037}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 76   and name HG  ))
      2.600     0.800     0.800 peak  1037 weight  0.10000E+01 volume  0.40380E+06 ppm1      0.544 ppm2      1.409
 ASSI { 1038}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 86   and name HZ  ))
      2.700     0.900     0.900 peak  1038 weight  0.10000E+01 volume  0.30710E+06 ppm1      0.544 ppm2      5.718
 ASSI { 1039}
   (  segid "    " and resid 76   and name HD1%)
   (  segid "    " and resid 39   and name HE% )
      3.000     3.000     2.500 peak  1039 weight  0.10000E+01 volume  0.16940E+06 ppm1      0.544 ppm2      6.604
 ASSI { 1041}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 57   and name HD1%)
      2.200     0.600     0.600 peak  1041 weight  0.10000E+01 volume  0.98180E+06 ppm1      0.526 ppm2     -0.214
 ASSI { 1042}
   (  segid "    " and resid 76   and name HD1%)
   (( segid "    " and resid 86   and name HB2 ))
      2.300     2.300     3.200 peak  1042 weight  0.10000E+01 volume  0.80120E+06 ppm1      0.526 ppm2      2.634
 OR { 1042}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1047}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  1047 weight  0.10000E+01 volume  0.47360E+06 ppm1      1.368 ppm2      3.754
 OR { 1047}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1063}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HB2 ))
      1.700     0.400     0.500 peak  1063 weight  0.10000E+01 volume  0.50250E+07 ppm1      1.625 ppm2      1.873
 ASSI { 1064}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     0.700     0.700 peak  1064 weight  0.10000E+01 volume  0.70290E+06 ppm1      4.345 ppm2      3.157
 ASSI { 1066}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.600     0.800     0.800 peak  1066 weight  0.10000E+01 volume  0.40080E+06 ppm1      4.345 ppm2      3.103
 ASSI { 1071}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HA  ))
      2.800     1.000     1.000 peak  1071 weight  0.10000E+01 volume  0.24420E+06 ppm1      1.842 ppm2      5.386
 OR { 1071}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI { 1073}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 19   and name HZ3 ))
      2.700     0.900     0.900 peak  1073 weight  0.10000E+01 volume  0.34830E+06 ppm1      1.886 ppm2      6.648
 ASSI { 1075}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 19   and name HZ3 ))
      3.000     3.000     2.500 peak  1075 weight  0.10000E+01 volume  0.18100E+06 ppm1      1.798 ppm2      6.657
 ASSI { 1077}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HG2%)
      2.100     0.600     0.600 peak  1077 weight  0.10000E+01 volume  0.13960E+07 ppm1      4.552 ppm2      0.927
 ASSI { 1081}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     2.600     2.900 peak  1081 weight  0.10000E+01 volume  0.35750E+06 ppm1      1.933 ppm2      1.263
 ASSI { 1082}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 76   and name HD2%)
      2.500     0.800     0.800 peak  1082 weight  0.10000E+01 volume  0.44250E+06 ppm1      1.278 ppm2      0.383
 ASSI { 1086}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      5.500     3.800     0.000 peak  1086 weight  0.10000E+01 volume -0.85080E+06 ppm1      4.192 ppm2      2.442
 ASSI { 1101}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 103  and name HH2 ))
      3.300     1.400     1.400 peak  1101 weight  0.10000E+01 volume  0.99610E+05 ppm1     -0.176 ppm2      6.324
 ASSI { 1104}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.800     1.000     1.000 peak  1104 weight  0.10000E+01 volume  0.25690E+06 ppm1      4.644 ppm2      2.020
 OR { 1104}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG3 ))
 ASSI { 1107}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 27   and name HB2 ))
      1.700     1.700     3.800 peak  1107 weight  0.10000E+01 volume  0.44300E+07 ppm1      1.848 ppm2      1.513
 ASSI { 1108}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 83   and name HD2%)
      2.000     2.000     3.500 peak  1108 weight  0.10000E+01 volume  0.22020E+07 ppm1      1.852 ppm2      0.707
 OR { 1108}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI { 1111}
   (  segid "    " and resid 76   and name HD2%)
   (  segid "    " and resid 64   and name HG2%)
      2.200     2.200     3.300 peak  1111 weight  0.10000E+01 volume  0.10700E+07 ppm1      0.386 ppm2      0.656
 ASSI { 1118}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.100     0.600     0.600 peak  1118 weight  0.10000E+01 volume  0.12840E+07 ppm1      1.009 ppm2      3.788
 ASSI { 1119}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 84   and name HD2 ))
      2.200     0.600     0.600 peak  1119 weight  0.10000E+01 volume  0.10500E+07 ppm1      0.901 ppm2      3.658
 OR { 1119}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 84   and name HD3 ))
 ASSI { 1124}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak  1124 weight  0.10000E+01 volume  0.56400E+06 ppm1      0.887 ppm2      1.745
 ASSI { 1125}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG2 ))
      2.400     0.700     0.700 peak  1125 weight  0.10000E+01 volume  0.65420E+06 ppm1      3.728 ppm2      1.478
 ASSI { 1126}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HG2 ))
      2.500     0.800     0.800 peak  1126 weight  0.10000E+01 volume  0.45100E+06 ppm1      3.728 ppm2      1.226
 ASSI { 1127}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 104  and name HD1%)
      2.400     0.700     0.700 peak  1127 weight  0.10000E+01 volume  0.59890E+06 ppm1      3.750 ppm2      0.707
 OR { 1127}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 104  and name HD2%)
 ASSI { 1131}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 105  and name HD2 ))
      2.400     2.400     3.100 peak  1131 weight  0.10000E+01 volume  0.59430E+06 ppm1      3.773 ppm2      3.017
 OR { 1131}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 105  and name HD3 ))
 ASSI { 1140}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 107  and name HG2%)
      2.600     0.800     0.800 peak  1140 weight  0.10000E+01 volume  0.37750E+06 ppm1      4.086 ppm2      0.712
 ASSI { 1154}
   (( segid "    " and resid 69   and name HB  ))
   (( segid "    " and resid 69   and name HA  ))
      2.300     0.700     0.700 peak  1154 weight  0.10000E+01 volume  0.83300E+06 ppm1      4.075 ppm2      4.344
 ASSI { 1160}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.000     0.500     0.500 peak  1160 weight  0.10000E+01 volume  0.20480E+07 ppm1      3.520 ppm2      3.623
 ASSI { 1165}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.400     0.700     0.700 peak  1165 weight  0.10000E+01 volume  0.61370E+06 ppm1      3.443 ppm2      1.792
 ASSI { 1166}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.600     0.800     0.800 peak  1166 weight  0.10000E+01 volume  0.43430E+06 ppm1      3.443 ppm2      1.505
 ASSI { 1169}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak  1169 weight  0.10000E+01 volume  0.37270E+06 ppm1      3.440 ppm2      6.885
 ASSI { 1172}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.600     0.800     0.800 peak  1172 weight  0.10000E+01 volume  0.43120E+06 ppm1      4.059 ppm2      0.978
 ASSI { 1178}
   (( segid "    " and resid 86   and name HZ  ))
   (  segid "    " and resid 37   and name HG2%)
      3.000     3.000     2.500 peak  1178 weight  0.10000E+01 volume  0.15840E+06 ppm1      5.704 ppm2     -0.182
 ASSI { 1183}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.600     2.600     2.900 peak  1183 weight  0.10000E+01 volume  0.42460E+06 ppm1      4.810 ppm2      0.798
 ASSI { 1187}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 109  and name HG2 ))
      3.200     1.300     1.300 peak  1187 weight  0.10000E+01 volume  0.11570E+06 ppm1      3.924 ppm2      2.236
 ASSI { 1193}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.300     0.700     0.700 peak  1193 weight  0.10000E+01 volume  0.74140E+06 ppm1      3.689 ppm2      1.243
 ASSI { 1194}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB3 ))
      2.300     0.700     0.700 peak  1194 weight  0.10000E+01 volume  0.73480E+06 ppm1      3.689 ppm2      1.074
 ASSI { 1195}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG3 ))
      2.400     0.700     0.700 peak  1195 weight  0.10000E+01 volume  0.69260E+06 ppm1      3.689 ppm2      1.129
 OR { 1195}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI { 1196}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      2.700     2.700     2.800 peak  1196 weight  0.10000E+01 volume  0.30640E+06 ppm1      4.062 ppm2      2.923
 OR { 1196}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI { 1208}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      1.400     1.400     4.100 peak  1208 weight  0.10000E+01 volume  0.13560E+08 ppm1      4.319 ppm2      4.639
 ASSI { 1210}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak  1210 weight  0.10000E+01 volume  0.61650E+06 ppm1      4.590 ppm2      4.194
 ASSI { 1213}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.400     0.700     0.700 peak  1213 weight  0.10000E+01 volume  0.59180E+06 ppm1      4.581 ppm2      1.826
 ASSI { 1214}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.900     2.900     2.600 peak  1214 weight  0.10000E+01 volume  0.21210E+06 ppm1      4.481 ppm2      2.653
 ASSI { 1218}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     0.800     0.800 peak  1218 weight  0.10000E+01 volume  0.42150E+06 ppm1      5.019 ppm2      2.136
 ASSI { 1219}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG2 ))
      2.800     1.000     1.000 peak  1219 weight  0.10000E+01 volume  0.26040E+06 ppm1      5.019 ppm2      1.744
 OR { 1219}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI { 1238}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HD2 ))
      2.200     2.200     3.300 peak  1238 weight  0.10000E+01 volume  0.11630E+07 ppm1      2.547 ppm2      2.948
 OR { 1238}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 58   and name HD3 ))
 ASSI { 1240}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak  1240 weight  0.10000E+01 volume  0.97880E+06 ppm1      2.553 ppm2      2.021
 ASSI { 1241}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HE% )
      2.500     2.500     3.000 peak  1241 weight  0.10000E+01 volume  0.51900E+06 ppm1      2.553 ppm2      6.900
 ASSI { 1242}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 16   and name HD% )
      2.800     1.000     1.000 peak  1242 weight  0.10000E+01 volume  0.27260E+06 ppm1      2.553 ppm2      6.314
 ASSI { 1246}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HB2 ))
      2.900     2.900     2.600 peak  1246 weight  0.10000E+01 volume  0.20580E+06 ppm1      2.557 ppm2      3.155
 ASSI { 1256}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.600     2.600     2.900 peak  1256 weight  0.10000E+01 volume  0.35390E+06 ppm1      2.667 ppm2      1.355
 OR { 1256}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HG3 ))
 ASSI { 1258}
   (( segid "    " and resid 114  and name HB2 ))
   (  segid "    " and resid 114  and name HD% )
      2.200     0.600     0.600 peak  1258 weight  0.10000E+01 volume  0.10080E+07 ppm1      2.915 ppm2      6.938
 OR { 1258}
   (( segid "    " and resid 114  and name HB3 ))
   (  segid "    " and resid 114  and name HD% )
 ASSI { 1274}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HD2 ))
      2.800     1.000     1.000 peak  1274 weight  0.10000E+01 volume  0.26810E+06 ppm1      1.760 ppm2      3.667
 OR { 1274}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 84   and name HD3 ))
 ASSI { 1276}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HB3 ))
      2.500     0.800     0.800 peak  1276 weight  0.10000E+01 volume  0.45400E+06 ppm1      1.764 ppm2      1.336
 ASSI { 1277}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HG  ))
      2.700     0.900     0.900 peak  1277 weight  0.10000E+01 volume  0.29860E+06 ppm1      1.764 ppm2      1.499
 ASSI { 1278}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 83   and name HD2%)
      3.000     1.100     1.100 peak  1278 weight  0.10000E+01 volume  0.16220E+06 ppm1      1.764 ppm2      0.777
 ASSI { 1279}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 88   and name HD1%)
      2.700     0.900     0.900 peak  1279 weight  0.10000E+01 volume  0.30450E+06 ppm1      1.329 ppm2     -0.818
 ASSI { 1286}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HG13))
      2.400     0.700     0.700 peak  1286 weight  0.10000E+01 volume  0.62020E+06 ppm1      1.281 ppm2      0.687
 OR { 1286}
   (( segid "    " and resid 88   and name HB  ))
   (( segid "    " and resid 88   and name HG12))
 ASSI { 1296}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      1.700     1.700     3.800 peak  1296 weight  0.10000E+01 volume  0.55850E+07 ppm1      1.409 ppm2      1.405
 ASSI { 1323}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      2.200     0.600     0.600 peak  1323 weight  0.10000E+01 volume  0.96250E+06 ppm1      2.161 ppm2      2.415
 ASSI { 1324}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1324 weight  0.10000E+01 volume  0.15070E+06 ppm1      2.161 ppm2      5.014
 ASSI { 1327}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.000     0.500     0.500 peak  1327 weight  0.10000E+01 volume  0.19700E+07 ppm1      1.193 ppm2      1.898
 ASSI { 1351}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HB3 ))
      2.100     0.600     0.600 peak  1351 weight  0.10000E+01 volume  0.12930E+07 ppm1      3.066 ppm2      2.727
 ASSI { 1403}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 74   and name HD1%)
      1.900     0.500     0.500 peak  1403 weight  0.10000E+01 volume  0.26080E+07 ppm1      1.873 ppm2      0.725
 OR { 1403}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1424}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HG  ))
      2.000     0.500     0.500 peak  1424 weight  0.10000E+01 volume  0.21790E+07 ppm1      0.765 ppm2      1.490
 ASSI { 1426}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HB3 ))
      2.100     0.600     0.600 peak  1426 weight  0.10000E+01 volume  0.12500E+07 ppm1      0.765 ppm2      1.339
 ASSI { 1429}
   (  segid "    " and resid 83   and name HD2%)
   (  segid "    " and resid 83   and name HD1%)
      2.000     0.500     0.500 peak  1429 weight  0.10000E+01 volume  0.17070E+07 ppm1      0.765 ppm2      0.900
 ASSI { 1484}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      2.800     2.800     2.700 peak  1484 weight  0.10000E+01 volume  0.26800E+06 ppm1      4.444 ppm2      0.704
 ASSI { 1487}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 98   and name HA  ))
      2.200     2.200     3.300 peak  1487 weight  0.10000E+01 volume  0.11190E+07 ppm1      1.583 ppm2      3.919
 ASSI { 1489}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 32   and name HB3 ))
      2.400     0.700     0.700 peak  1489 weight  0.10000E+01 volume  0.67960E+06 ppm1      0.092 ppm2      0.787
 OR { 1489}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 32   and name HB3 ))
 ASSI { 1496}
   (  segid "    " and resid 57   and name HD1%)
   (( segid "    " and resid 37   and name HB  ))
      2.400     2.400     3.100 peak  1496 weight  0.10000E+01 volume  0.66040E+06 ppm1     -0.210 ppm2      0.905
 ASSI { 1499}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 37   and name HB  ))
      2.700     0.900     0.900 peak  1499 weight  0.10000E+01 volume  0.34050E+06 ppm1      1.548 ppm2      0.903
 ASSI { 1503}
   (( segid "    " and resid 64   and name HG13))
   (  segid "    " and resid 74   and name HG2%)
      2.100     0.600     0.600 peak  1503 weight  0.10000E+01 volume  0.15420E+07 ppm1      1.388 ppm2      0.522
 OR { 1503}
   (( segid "    " and resid 64   and name HG12))
   (  segid "    " and resid 74   and name HG2%)
 ASSI { 1507}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.600     2.600     2.900 peak  1507 weight  0.10000E+01 volume  0.35400E+06 ppm1      4.627 ppm2      0.686
 ASSI { 1509}
   (  segid "    " and resid 57   and name HG2%)
   (( segid "    " and resid 57   and name HB  ))
      2.100     0.600     0.600 peak  1509 weight  0.10000E+01 volume  0.15550E+07 ppm1      0.652 ppm2      1.592
 ASSI { 1511}
   (  segid "    " and resid 57   and name HG2%)
   (  segid "    " and resid 62   and name HD% )
      2.600     2.600     2.900 peak  1511 weight  0.10000E+01 volume  0.36220E+06 ppm1      0.652 ppm2      6.894
 ASSI { 1514}
   (  segid "    " and resid 57   and name HG2%)
   (  segid "    " and resid 32   and name HD2%)
      2.600     2.600     2.900 peak  1514 weight  0.10000E+01 volume  0.39460E+06 ppm1      0.672 ppm2      0.100
 OR { 1514}
   (  segid "    " and resid 57   and name HG2%)
   (  segid "    " and resid 32   and name HD1%)
 ASSI { 1515}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG3 ))
      2.100     0.600     0.600 peak  1515 weight  0.10000E+01 volume  0.14590E+07 ppm1      1.808 ppm2      1.244
 ASSI { 1516}
   (( segid "    " and resid 87   and name HB2 ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     2.300     3.200 peak  1516 weight  0.10000E+01 volume  0.77360E+06 ppm1      1.616 ppm2      0.747
 ASSI { 1518}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.400     0.700     0.700 peak  1518 weight  0.10000E+01 volume  0.62610E+06 ppm1      4.056 ppm2      0.964
 ASSI { 1522}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 67   and name HB3 ))
      2.400     2.400     3.100 peak  1522 weight  0.10000E+01 volume  0.58550E+06 ppm1      0.795 ppm2      2.463
 ASSI { 1535}
   (  segid "    " and resid 11   and name HD1%)
   (  segid "    " and resid 32   and name HD1%)
      2.300     0.700     0.700 peak  1535 weight  0.10000E+01 volume  0.88240E+06 ppm1      0.502 ppm2      0.092
 ASSI { 1536}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      5.500     3.800     0.000 peak  1536 weight  0.10000E+01 volume -0.18850E+07 ppm1      2.915 ppm2      4.214
 ASSI { 1538}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak  1538 weight  0.10000E+01 volume  0.16960E+06 ppm1      1.766 ppm2      3.455
 ASSI { 1552}
   (  segid "    " and resid 83   and name HD1%)
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak  1552 weight  0.10000E+01 volume  0.11380E+07 ppm1      0.900 ppm2      4.636
 ASSI { 1553}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.100     0.600     0.600 peak  1553 weight  0.10000E+01 volume  0.12910E+07 ppm1      0.804 ppm2      1.019
 ASSI { 1556}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 16   and name HD% )
      2.700     0.900     0.900 peak  1556 weight  0.10000E+01 volume  0.32900E+06 ppm1      2.023 ppm2      6.316
 ASSI { 1565}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 93   and name HB2 ))
      2.100     0.600     0.600 peak  1565 weight  0.10000E+01 volume  0.13240E+07 ppm1      6.938 ppm2      2.929
 OR { 1565}
   (  segid "    " and resid 93   and name HD% )
   (( segid "    " and resid 93   and name HB3 ))
 ASSI { 1567}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB3 ))
      1.700     0.400     0.500 peak  1567 weight  0.10000E+01 volume  0.52230E+07 ppm1      1.654 ppm2      1.627
 ASSI { 1572}
   (( segid "    " and resid 103  and name HB3 ))
   (( segid "    " and resid 103  and name HE3 ))
      2.700     2.700     2.800 peak  1572 weight  0.10000E+01 volume  0.34750E+06 ppm1      2.738 ppm2      6.999
 ASSI { 1580}
   (( segid "    " and resid 11   and name HG12))
   (( segid "    " and resid 11   and name HG13))
      1.800     0.400     0.400 peak  1580 weight  0.10000E+01 volume  0.30470E+07 ppm1      1.248 ppm2      0.759
 ASSI { 1581}
   (( segid "    " and resid 11   and name HG12))
   (  segid "    " and resid 11   and name HD1%)
      2.100     0.600     0.600 peak  1581 weight  0.10000E+01 volume  0.13310E+07 ppm1      1.248 ppm2      0.420
 ASSI { 1583}
   (( segid "    " and resid 11   and name HG12))
   (( segid "    " and resid 11   and name HB  ))
      5.500     3.800     0.000 peak  1583 weight  0.10000E+01 volume -0.62170E+07 ppm1      1.248 ppm2      1.047
 ASSI { 1589}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      1.700     0.400     0.500 peak  1589 weight  0.10000E+01 volume  0.47380E+07 ppm1      1.383 ppm2      1.500
 ASSI { 1593}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.400     0.700     0.700 peak  1593 weight  0.10000E+01 volume  0.71060E+06 ppm1      2.334 ppm2      2.830
 ASSI { 1594}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      2.600     0.800     0.800 peak  1594 weight  0.10000E+01 volume  0.42200E+06 ppm1      2.334 ppm2      6.845
 ASSI { 1595}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak  1595 weight  0.10000E+01 volume  0.27810E+06 ppm1      2.334 ppm2      4.889
 ASSI { 1600}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak  1600 weight  0.10000E+01 volume  0.58360E+06 ppm1      4.292 ppm2      2.125
 ASSI { 1606}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HG  ))
      1.800     1.800     3.700 peak  1606 weight  0.10000E+01 volume  0.32080E+07 ppm1      1.356 ppm2      1.508
 ASSI { 1608}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD1%)
      2.200     0.600     0.600 peak  1608 weight  0.10000E+01 volume  0.10460E+07 ppm1      1.495 ppm2      0.882
 ASSI { 1614}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HB2 ))
      1.700     0.400     0.500 peak  1614 weight  0.10000E+01 volume  0.48140E+07 ppm1      1.521 ppm2      1.783
 ASSI { 1615}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB3 ))
      2.400     0.700     0.700 peak  1615 weight  0.10000E+01 volume  0.70030E+06 ppm1      3.416 ppm2      1.409
 ASSI { 1617}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.400     0.700     0.700 peak  1617 weight  0.10000E+01 volume  0.56780E+06 ppm1      3.416 ppm2      1.936
 ASSI { 1620}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HB3 ))
      2.300     0.700     0.700 peak  1620 weight  0.10000E+01 volume  0.86850E+06 ppm1      1.938 ppm2      1.395
 ASSI { 1624}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HD% )
      2.500     0.800     0.800 peak  1624 weight  0.10000E+01 volume  0.46160E+06 ppm1      2.806 ppm2      6.667
 ASSI { 1626}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 54   and name HD% )
      2.700     0.900     0.900 peak  1626 weight  0.10000E+01 volume  0.32310E+06 ppm1      2.612 ppm2      6.667
 ASSI { 1628}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.100     0.600     0.600 peak  1628 weight  0.10000E+01 volume  0.15020E+07 ppm1      2.612 ppm2      2.780
 ASSI { 1637}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HB3 ))
      1.800     0.400     0.400 peak  1637 weight  0.10000E+01 volume  0.36220E+07 ppm1      1.639 ppm2      1.398
 ASSI { 1639}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HD3 ))
      2.700     0.900     0.900 peak  1639 weight  0.10000E+01 volume  0.32690E+06 ppm1      1.373 ppm2      2.681
 OR { 1639}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HD2 ))
 ASSI { 1640}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HG2 ))
      1.700     0.400     0.500 peak  1640 weight  0.10000E+01 volume  0.57100E+07 ppm1      1.373 ppm2      1.572
 ASSI { 1641}
   (( segid "    " and resid 87   and name HG3 ))
   (( segid "    " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak  1641 weight  0.10000E+01 volume  0.13010E+06 ppm1      1.373 ppm2      5.240
 ASSI { 1643}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1643 weight  0.10000E+01 volume  0.34610E+06 ppm1      1.559 ppm2      5.220
 ASSI { 1645}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.200     0.600     0.600 peak  1645 weight  0.10000E+01 volume  0.11300E+07 ppm1      2.141 ppm2      2.273
 ASSI { 1647}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      1.600     0.300     0.600 peak  1647 weight  0.10000E+01 volume  0.81900E+07 ppm1      2.141 ppm2      1.971
 ASSI { 1649}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HG3 ))
      1.500     0.300     0.700 peak  1649 weight  0.10000E+01 volume  0.11300E+08 ppm1      2.298 ppm2      2.129
 ASSI { 1651}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HA  ))
      2.900     1.100     1.100 peak  1651 weight  0.10000E+01 volume  0.21540E+06 ppm1      2.148 ppm2      4.268
 ASSI { 1652}
   (  segid "    " and resid 32   and name HD1%)
   (  segid "    " and resid 11   and name HG2%)
      5.500     3.800     0.000 peak  1652 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.092 ppm2      0.496
 ASSI { 1653}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
      5.500     3.800     0.000 peak  1653 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.929 ppm2      1.955
 OR { 1653}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB3 ))
 ASSI {    4}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.600     0.800     0.800 peak     4 weight  0.10000E+01 volume  0.27860E+07 ppm1      8.015 ppm2      3.933
 ASSI {    5}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB3 ))
      2.300     0.700     0.700 peak     5 weight  0.10000E+01 volume  0.58850E+07 ppm1      8.015 ppm2      1.967
 ASSI {    6}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG2 ))
      2.600     0.800     0.800 peak     6 weight  0.10000E+01 volume  0.32990E+07 ppm1      8.015 ppm2      2.270
 OR {    6}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG3 ))
 ASSI {    7}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB2 ))
      2.600     2.600     2.900 peak     7 weight  0.10000E+01 volume  0.27670E+07 ppm1      8.015 ppm2      2.069
 ASSI {    8}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak     8 weight  0.10000E+01 volume  0.99770E+06 ppm1      8.018 ppm2      1.459
 ASSI {    9}
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.100     3.100     2.400 peak     9 weight  0.10000E+01 volume  0.10060E+07 ppm1      8.015 ppm2      0.716
 ASSI {   10}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.500     1.500     1.500 peak    10 weight  0.10000E+01 volume  0.48120E+06 ppm1      8.015 ppm2      3.343
 ASSI {   11}
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      2.900     2.900     2.600 peak    11 weight  0.10000E+01 volume  0.14730E+07 ppm1      8.015 ppm2      8.372
 ASSI {   13}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak    13 weight  0.10000E+01 volume  0.17560E+07 ppm1      7.983 ppm2      4.352
 ASSI {   14}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak    14 weight  0.10000E+01 volume  0.27730E+07 ppm1      7.983 ppm2      3.898
 ASSI {   15}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak    15 weight  0.10000E+01 volume  0.17440E+07 ppm1      7.983 ppm2      8.731
 ASSI {   16}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     2.800     2.700 peak    16 weight  0.10000E+01 volume  0.19370E+07 ppm1      7.983 ppm2      0.632
 ASSI {   18}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.600     0.800     0.800 peak    18 weight  0.10000E+01 volume  0.31730E+07 ppm1      7.983 ppm2      1.314
 ASSI {   19}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.200     1.300     1.300 peak    19 weight  0.10000E+01 volume  0.90390E+06 ppm1      7.983 ppm2     -0.423
 ASSI {   23}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak    23 weight  0.10000E+01 volume  0.31160E+07 ppm1      7.981 ppm2      5.226
 ASSI {   25}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.900     1.100     1.100 peak    25 weight  0.10000E+01 volume  0.14480E+07 ppm1      7.981 ppm2      0.937
 ASSI {   27}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
      3.200     1.300     1.300 peak    27 weight  0.10000E+01 volume  0.91410E+06 ppm1      7.981 ppm2      0.731
 OR {   27}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {   28}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak    28 weight  0.10000E+01 volume  0.84630E+06 ppm1      7.981 ppm2      4.828
 ASSI {   31}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      3.100     1.200     1.200 peak    31 weight  0.10000E+01 volume  0.11020E+07 ppm1      7.981 ppm2      0.531
 OR {   31}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HD3 ))
 ASSI {   32}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.100     3.100     2.400 peak    32 weight  0.10000E+01 volume  0.10450E+07 ppm1      7.981 ppm2      1.576
 ASSI {   33}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.500     1.500     1.500 peak    33 weight  0.10000E+01 volume  0.46270E+06 ppm1      7.981 ppm2     -0.171
 ASSI {   34}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.200     1.300     1.300 peak    34 weight  0.10000E+01 volume  0.85830E+06 ppm1      7.981 ppm2      8.823
 ASSI {   35}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.500     1.500     1.500 peak    35 weight  0.10000E+01 volume  0.49690E+06 ppm1      7.981 ppm2      1.364
 ASSI {   39}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.000     2.000     3.500 peak    39 weight  0.10000E+01 volume  0.13270E+08 ppm1      7.929 ppm2      2.009
 OR {   39}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
 ASSI {   41}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak    41 weight  0.10000E+01 volume  0.40980E+07 ppm1      7.929 ppm2      3.966
 ASSI {   42}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 108  and name HB% )
      2.300     2.300     3.200 peak    42 weight  0.10000E+01 volume  0.68890E+07 ppm1      7.929 ppm2      1.436
 ASSI {   43}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.900     1.100     1.100 peak    43 weight  0.10000E+01 volume  0.16500E+07 ppm1      7.929 ppm2      4.131
 ASSI {   44}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.900     1.100     1.100 peak    44 weight  0.10000E+01 volume  0.15820E+07 ppm1      7.929 ppm2      4.262
 ASSI {   45}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HG2 ))
      2.800     1.000     1.000 peak    45 weight  0.10000E+01 volume  0.20610E+07 ppm1      7.929 ppm2      2.273
 ASSI {   46}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      3.900     1.900     1.600 peak    46 weight  0.10000E+01 volume  0.28110E+06 ppm1      7.929 ppm2      1.719
 ASSI {   47}
   (( segid "    " and resid 109  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.100     1.200     1.200 peak    47 weight  0.10000E+01 volume  0.98780E+06 ppm1      7.929 ppm2      0.742
 ASSI {   48}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      3.300     1.400     1.400 peak    48 weight  0.10000E+01 volume  0.69800E+06 ppm1      7.929 ppm2      8.593
 ASSI {   51}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.300     0.700     0.700 peak    51 weight  0.10000E+01 volume  0.69420E+07 ppm1      7.888 ppm2      4.539
 ASSI {   52}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      2.400     0.700     0.700 peak    52 weight  0.10000E+01 volume  0.48650E+07 ppm1      7.888 ppm2      2.316
 ASSI {   53}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.500     2.500     3.000 peak    53 weight  0.10000E+01 volume  0.37690E+07 ppm1      7.888 ppm2      1.278
 ASSI {   54}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.600     0.800     0.800 peak    54 weight  0.10000E+01 volume  0.27500E+07 ppm1      7.888 ppm2      2.550
 ASSI {   55}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak    55 weight  0.10000E+01 volume  0.25930E+07 ppm1      7.888 ppm2      7.442
 ASSI {   56}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.100     1.100 peak    56 weight  0.10000E+01 volume  0.15200E+07 ppm1      7.888 ppm2      3.702
 ASSI {   57}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      2.900     2.900     2.600 peak    57 weight  0.10000E+01 volume  0.15260E+07 ppm1      7.888 ppm2      1.015
 ASSI {   60}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG3 ))
      4.500     2.500     1.000 peak    60 weight  0.10000E+01 volume  0.11130E+06 ppm1      7.888 ppm2      1.464
 OR {   60}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
 ASSI {   62}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     2.600     2.900 peak    62 weight  0.10000E+01 volume  0.28830E+07 ppm1      7.442 ppm2      4.603
 ASSI {   64}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HD3 ))
      2.500     2.500     3.000 peak    64 weight  0.10000E+01 volume  0.34340E+07 ppm1      7.442 ppm2      3.433
 OR {   64}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HD2 ))
 ASSI {   65}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.600     0.800     0.800 peak    65 weight  0.10000E+01 volume  0.30200E+07 ppm1      7.442 ppm2      1.258
 ASSI {   67}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.200     1.300     1.300 peak    67 weight  0.10000E+01 volume  0.87200E+06 ppm1      7.442 ppm2      3.724
 ASSI {   68}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.000     1.100     1.100 peak    68 weight  0.10000E+01 volume  0.12990E+07 ppm1      7.442 ppm2      1.038
 ASSI {   69}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.300     3.300     2.200 peak    69 weight  0.10000E+01 volume  0.66620E+06 ppm1      7.442 ppm2      9.158
 ASSI {   70}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.600     1.600     1.600 peak    70 weight  0.10000E+01 volume  0.40050E+06 ppm1      7.442 ppm2      0.665
 ASSI {   71}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG2 ))
      4.200     2.200     1.300 peak    71 weight  0.10000E+01 volume  0.16090E+06 ppm1      7.442 ppm2      1.476
 OR {   71}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG3 ))
 ASSI {   72}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      4.100     2.100     1.400 peak    72 weight  0.10000E+01 volume  0.20630E+06 ppm1      7.442 ppm2      1.999
 ASSI {   73}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HE2 ))
      4.000     2.000     1.500 peak    73 weight  0.10000E+01 volume  0.21300E+06 ppm1      7.442 ppm2      2.578
 OR {   73}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI {   77}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 108  and name HB% )
      2.100     0.600     0.600 peak    77 weight  0.10000E+01 volume  0.10180E+08 ppm1      7.452 ppm2      1.441
 ASSI {   78}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak    78 weight  0.10000E+01 volume  0.41790E+07 ppm1      7.452 ppm2      7.946
 ASSI {   79}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.400     0.700     0.700 peak    79 weight  0.10000E+01 volume  0.43810E+07 ppm1      7.452 ppm2      4.108
 ASSI {   80}
   (( segid "    " and resid 108  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      2.400     0.700     0.700 peak    80 weight  0.10000E+01 volume  0.43740E+07 ppm1      7.452 ppm2      0.729
 ASSI {   81}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.700     2.700     2.800 peak    81 weight  0.10000E+01 volume  0.26260E+07 ppm1      7.452 ppm2      1.981
 OR {   81}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109  and name HB3 ))
 ASSI {   82}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak    82 weight  0.10000E+01 volume  0.19710E+07 ppm1      7.452 ppm2      8.598
 ASSI {   83}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.200     1.300     1.300 peak    83 weight  0.10000E+01 volume  0.87900E+06 ppm1      7.452 ppm2      3.923
 ASSI {   84}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      2.800     1.000     1.000 peak    84 weight  0.10000E+01 volume  0.18430E+07 ppm1      7.452 ppm2      1.743
 ASSI {   85}
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak    85 weight  0.10000E+01 volume  0.65130E+06 ppm1      7.452 ppm2      3.347
 ASSI {   89}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak    89 weight  0.10000E+01 volume  0.30460E+07 ppm1      8.533 ppm2      4.894
 ASSI {   91}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak    91 weight  0.10000E+01 volume  0.20980E+07 ppm1      8.533 ppm2      1.046
 ASSI {   92}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.000     1.100     1.100 peak    92 weight  0.10000E+01 volume  0.13180E+07 ppm1      8.533 ppm2      0.788
 ASSI {   93}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak    93 weight  0.10000E+01 volume  0.13000E+07 ppm1      8.533 ppm2      6.954
 ASSI {   94}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 103  and name HZ3 ))
      3.400     1.400     1.400 peak    94 weight  0.10000E+01 volume  0.61690E+06 ppm1      8.533 ppm2      6.436
 ASSI {   95}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD2%)
      3.400     1.400     1.400 peak    95 weight  0.10000E+01 volume  0.64510E+06 ppm1      8.533 ppm2      0.065
 OR {   95}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HD1%)
 ASSI {   96}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.900     1.900     1.600 peak    96 weight  0.10000E+01 volume  0.25040E+06 ppm1      8.533 ppm2      5.566
 ASSI {   97}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.800     1.800     1.700 peak    97 weight  0.10000E+01 volume  0.31590E+06 ppm1      8.533 ppm2      2.374
 ASSI {   99}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak    99 weight  0.10000E+01 volume  0.10410E+07 ppm1      8.469 ppm2      4.196
 ASSI {  100}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.100     1.200     1.200 peak   100 weight  0.10000E+01 volume  0.10730E+07 ppm1      8.469 ppm2      1.203
 ASSI {  104}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.300     0.700     0.700 peak   104 weight  0.10000E+01 volume  0.68770E+07 ppm1      8.440 ppm2      1.617
 ASSI {  105}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak   105 weight  0.10000E+01 volume  0.60420E+07 ppm1      8.440 ppm2      4.674
 ASSI {  107}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG3 ))
      3.000     1.100     1.100 peak   107 weight  0.10000E+01 volume  0.12660E+07 ppm1      8.440 ppm2      2.093
 OR {  107}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
 ASSI {  108}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.400     3.400     2.100 peak   108 weight  0.10000E+01 volume  0.63110E+06 ppm1      8.440 ppm2      6.898
 ASSI {  109}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.200     1.300     1.300 peak   109 weight  0.10000E+01 volume  0.83050E+06 ppm1      8.440 ppm2      4.516
 ASSI {  110}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      3.200     1.300     1.300 peak   110 weight  0.10000E+01 volume  0.82060E+06 ppm1      8.440 ppm2      0.720
 OR {  110}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  111}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   111 weight  0.10000E+01 volume  0.37270E+06 ppm1      8.440 ppm2     -0.180
 ASSI {  117}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.900     1.100     1.100 peak   117 weight  0.10000E+01 volume  0.16620E+07 ppm1      8.420 ppm2      3.638
 OR {  117}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  118}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak   118 weight  0.10000E+01 volume  0.56950E+06 ppm1      8.420 ppm2      5.059
 ASSI {  119}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.300     1.400     1.400 peak   119 weight  0.10000E+01 volume  0.76050E+06 ppm1      8.420 ppm2      2.722
 ASSI {  120}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB3 ))
      3.700     1.700     1.700 peak   120 weight  0.10000E+01 volume  0.37020E+06 ppm1      8.420 ppm2      2.575
 ASSI {  122}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.300     0.700     0.700 peak   122 weight  0.10000E+01 volume  0.60500E+07 ppm1      8.141 ppm2      1.587
 ASSI {  123}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.500     0.800     0.800 peak   123 weight  0.10000E+01 volume  0.33560E+07 ppm1      8.141 ppm2      3.753
 ASSI {  124}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.500     2.500     3.000 peak   124 weight  0.10000E+01 volume  0.41630E+07 ppm1      8.141 ppm2      1.727
 ASSI {  125}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   125 weight  0.10000E+01 volume  0.22960E+07 ppm1      8.141 ppm2      8.577
 ASSI {  127}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.000     3.000     2.500 peak   127 weight  0.10000E+01 volume  0.11860E+07 ppm1      8.141 ppm2      3.937
 ASSI {  128}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HG3 ))
      3.000     1.100     1.100 peak   128 weight  0.10000E+01 volume  0.11760E+07 ppm1      8.141 ppm2      1.233
 OR {  128}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HG2 ))
 ASSI {  130}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HB2 ))
      2.000     0.500     0.500 peak   130 weight  0.10000E+01 volume  0.13930E+08 ppm1      7.865 ppm2      1.983
 ASSI {  131}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA  ))
      2.200     2.200     3.300 peak   131 weight  0.10000E+01 volume  0.81190E+07 ppm1      7.865 ppm2      3.985
 ASSI {  133}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HG3 ))
      2.400     0.700     0.700 peak   133 weight  0.10000E+01 volume  0.45070E+07 ppm1      7.865 ppm2      2.208
 OR {  133}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HG2 ))
 ASSI {  134}
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      2.700     0.900     0.900 peak   134 weight  0.10000E+01 volume  0.22250E+07 ppm1      7.865 ppm2      8.379
 ASSI {  137}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      2.300     0.700     0.700 peak   137 weight  0.10000E+01 volume  0.69920E+07 ppm1      7.799 ppm2      2.939
 OR {  137}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI {  139}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.500     0.800     0.800 peak   139 weight  0.10000E+01 volume  0.39000E+07 ppm1      7.799 ppm2      4.197
 ASSI {  140}
   (( segid "    " and resid 114  and name HN  ))
   (  segid "    " and resid 114  and name HD% )
      3.100     1.200     1.200 peak   140 weight  0.10000E+01 volume  0.11260E+07 ppm1      7.799 ppm2      6.953
 ASSI {  150}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      5.500     3.800     0.000 peak   150 weight  0.10000E+01 volume -0.24980E+07 ppm1      7.824 ppm2      4.124
 ASSI {  151}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HD2 ))
      2.100     0.600     0.600 peak   151 weight  0.10000E+01 volume  0.10420E+08 ppm1      7.783 ppm2      1.636
 ASSI {  152}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.100     2.100     3.400 peak   152 weight  0.10000E+01 volume  0.97440E+07 ppm1      7.783 ppm2      3.942
 ASSI {  154}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HB3 ))
      2.300     0.700     0.700 peak   154 weight  0.10000E+01 volume  0.60190E+07 ppm1      7.783 ppm2      1.985
 ASSI {  156}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HE2 ))
      2.900     1.100     1.100 peak   156 weight  0.10000E+01 volume  0.14820E+07 ppm1      7.783 ppm2      2.248
 OR {  156}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 113  and name HE3 ))
 ASSI {  158}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.500     0.800     0.800 peak   158 weight  0.10000E+01 volume  0.35640E+07 ppm1      7.775 ppm2      4.086
 ASSI {  160}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      2.900     1.100     1.100 peak   160 weight  0.10000E+01 volume  0.16870E+07 ppm1      7.775 ppm2      1.536
 ASSI {  161}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.900     1.100     1.100 peak   161 weight  0.10000E+01 volume  0.14970E+07 ppm1      7.775 ppm2      1.665
 ASSI {  162}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      3.200     1.300     1.300 peak   162 weight  0.10000E+01 volume  0.82970E+06 ppm1      7.775 ppm2      1.888
 OR {  162}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG3 ))
 ASSI {  163}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HD3 ))
      3.700     1.700     1.700 peak   163 weight  0.10000E+01 volume  0.37740E+06 ppm1      7.775 ppm2      2.934
 OR {  163}
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI {  166}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     2.100     3.400 peak   166 weight  0.10000E+01 volume  0.11030E+08 ppm1      8.353 ppm2      4.519
 ASSI {  167}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA1 ))
      2.700     0.900     0.900 peak   167 weight  0.10000E+01 volume  0.23340E+07 ppm1      8.353 ppm2      3.720
 ASSI {  168}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA2 ))
      2.900     1.100     1.100 peak   168 weight  0.10000E+01 volume  0.14930E+07 ppm1      8.353 ppm2      3.529
 ASSI {  169}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     2.900     2.600 peak   169 weight  0.10000E+01 volume  0.14490E+07 ppm1      8.353 ppm2      1.451
 ASSI {  171}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.400     1.400 peak   171 weight  0.10000E+01 volume  0.75910E+06 ppm1      8.353 ppm2      1.666
 ASSI {  172}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      3.500     3.500     2.000 peak   172 weight  0.10000E+01 volume  0.49700E+06 ppm1      8.353 ppm2      6.620
 ASSI {  173}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.700     1.700     1.700 peak   173 weight  0.10000E+01 volume  0.37590E+06 ppm1      8.353 ppm2      5.731
 ASSI {  174}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   174 weight  0.10000E+01 volume  0.17860E+07 ppm1      8.331 ppm2      3.481
 ASSI {  175}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HG1%)
      2.300     0.700     0.700 peak   175 weight  0.10000E+01 volume  0.55010E+07 ppm1      8.331 ppm2      0.954
 ASSI {  176}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.600     0.800     0.800 peak   176 weight  0.10000E+01 volume  0.30000E+07 ppm1      8.331 ppm2      2.967
 ASSI {  177}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB  ))
      2.500     0.800     0.800 peak   177 weight  0.10000E+01 volume  0.36830E+07 ppm1      8.331 ppm2      1.762
 ASSI {  179}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   179 weight  0.10000E+01 volume  0.24580E+07 ppm1      8.331 ppm2      8.580
 ASSI {  181}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.400     1.400     1.400 peak   181 weight  0.10000E+01 volume  0.57040E+06 ppm1      8.331 ppm2      3.935
 ASSI {  183}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      2.900     1.100     1.100 peak   183 weight  0.10000E+01 volume  0.14220E+07 ppm1      8.331 ppm2      0.496
 ASSI {  186}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      5.500     3.800     0.000 peak   186 weight  0.10000E+01 volume -0.45740E+06 ppm1      8.332 ppm2      1.920
 ASSI {  187}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.500     0.800     0.800 peak   187 weight  0.10000E+01 volume  0.39300E+07 ppm1      8.296 ppm2      3.471
 OR {  187}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI {  189}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.400     2.400     3.100 peak   189 weight  0.10000E+01 volume  0.43080E+07 ppm1      8.296 ppm2      1.532
 ASSI {  192}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   192 weight  0.10000E+01 volume  0.22560E+07 ppm1      8.296 ppm2      4.643
 ASSI {  194}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB3 ))
      2.900     1.100     1.100 peak   194 weight  0.10000E+01 volume  0.15310E+07 ppm1      8.296 ppm2      1.874
 ASSI {  200}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak   200 weight  0.10000E+01 volume  0.83730E+07 ppm1      8.291 ppm2      4.329
 ASSI {  201}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.300     0.700     0.700 peak   201 weight  0.10000E+01 volume  0.56360E+07 ppm1      8.291 ppm2      3.728
 OR {  201}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  202}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.500     0.800     0.800 peak   202 weight  0.10000E+01 volume  0.41350E+07 ppm1      8.291 ppm2      1.915
 ASSI {  203}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB3 ))
      2.700     0.900     0.900 peak   203 weight  0.10000E+01 volume  0.22160E+07 ppm1      8.291 ppm2      1.210
 ASSI {  204}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   204 weight  0.10000E+01 volume  0.10050E+07 ppm1      8.291 ppm2      4.870
 ASSI {  207}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   207 weight  0.10000E+01 volume  0.20120E+07 ppm1      8.356 ppm2      5.574
 ASSI {  210}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak   210 weight  0.10000E+01 volume  0.15470E+07 ppm1      8.356 ppm2      4.528
 ASSI {  211}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 103  and name HZ3 ))
      3.500     3.500     2.000 peak   211 weight  0.10000E+01 volume  0.47470E+06 ppm1      8.356 ppm2      6.450
 ASSI {  212}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.800     1.800     1.700 peak   212 weight  0.10000E+01 volume  0.29810E+06 ppm1      8.356 ppm2      2.537
 ASSI {  213}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      4.100     2.100     1.400 peak   213 weight  0.10000E+01 volume  0.19440E+06 ppm1      8.356 ppm2      0.542
 ASSI {  214}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      4.100     2.100     1.400 peak   214 weight  0.10000E+01 volume  0.20020E+06 ppm1      8.356 ppm2      6.310
 ASSI {  215}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      4.100     2.100     1.400 peak   215 weight  0.10000E+01 volume  0.20100E+06 ppm1      8.356 ppm2      2.022
 ASSI {  217}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.900     3.000     0.600 peak   217 weight  0.10000E+01 volume  0.64210E+05 ppm1      8.356 ppm2      8.566
 ASSI {  221}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     2.300     3.200 peak   221 weight  0.10000E+01 volume  0.68990E+07 ppm1      8.362 ppm2      4.532
 ASSI {  222}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.200     0.600     0.600 peak   222 weight  0.10000E+01 volume  0.75800E+07 ppm1      8.362 ppm2      1.387
 ASSI {  223}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   223 weight  0.10000E+01 volume  0.47780E+07 ppm1      8.362 ppm2      4.347
 ASSI {  224}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak   224 weight  0.10000E+01 volume  0.17880E+07 ppm1      8.362 ppm2      1.489
 ASSI {  226}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      5.500     3.800     0.000 peak   226 weight  0.10000E+01 volume -0.61440E+06 ppm1      8.362 ppm2      4.211
 ASSI {  227}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.800     1.800     1.700 peak   227 weight  0.10000E+01 volume  0.28460E+06 ppm1      8.362 ppm2      9.069
 ASSI {  230}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.300     0.700     0.700 peak   230 weight  0.10000E+01 volume  0.60000E+07 ppm1      8.371 ppm2      2.170
 ASSI {  231}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG2 ))
      2.800     1.000     1.000 peak   231 weight  0.10000E+01 volume  0.20480E+07 ppm1      8.371 ppm2      2.482
 OR {  231}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HG3 ))
 ASSI {  232}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HA  ))
      2.500     0.800     0.800 peak   232 weight  0.10000E+01 volume  0.41050E+07 ppm1      8.371 ppm2      4.074
 ASSI {  233}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB3 ))
      2.300     2.300     3.200 peak   233 weight  0.10000E+01 volume  0.58390E+07 ppm1      8.371 ppm2      1.961
 ASSI {  236}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 11   and name HG13))
      3.600     3.600     1.900 peak   236 weight  0.10000E+01 volume  0.44950E+06 ppm1      8.371 ppm2      0.759
 ASSI {  240}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.400     1.400     1.400 peak   240 weight  0.10000E+01 volume  0.61050E+06 ppm1      8.371 ppm2      3.945
 ASSI {  244}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak   244 weight  0.10000E+01 volume  0.55180E+07 ppm1      8.279 ppm2      4.865
 ASSI {  245}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.500     2.500     3.000 peak   245 weight  0.10000E+01 volume  0.34190E+07 ppm1      8.279 ppm2      3.752
 OR {  245}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
 ASSI {  246}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      3.000     1.100     1.100 peak   246 weight  0.10000E+01 volume  0.11710E+07 ppm1      8.279 ppm2      6.610
 ASSI {  247}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      2.700     0.900     0.900 peak   247 weight  0.10000E+01 volume  0.21350E+07 ppm1      8.279 ppm2      2.661
 OR {  247}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
 ASSI {  248}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   248 weight  0.10000E+01 volume  0.13100E+07 ppm1      8.279 ppm2      5.725
 ASSI {  249}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.15190E+07 ppm1      8.279 ppm2      8.822
 ASSI {  250}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.100     1.200     1.200 peak   250 weight  0.10000E+01 volume  0.98240E+06 ppm1      8.279 ppm2      1.815
 ASSI {  252}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      5.500     3.800     0.000 peak   252 weight  0.10000E+01 volume -0.42060E+06 ppm1      8.279 ppm2      1.985
 ASSI {  253}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.100     2.100     1.400 peak   253 weight  0.10000E+01 volume  0.19540E+06 ppm1      8.279 ppm2      5.108
 ASSI {  254}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.200     0.600     0.600 peak   254 weight  0.10000E+01 volume  0.85960E+07 ppm1      7.405 ppm2      2.969
 ASSI {  255}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      2.400     0.700     0.700 peak   255 weight  0.10000E+01 volume  0.47270E+07 ppm1      7.405 ppm2      8.293
 ASSI {  257}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.400     0.700     0.700 peak   257 weight  0.10000E+01 volume  0.42830E+07 ppm1      7.405 ppm2      3.921
 ASSI {  258}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.700     0.900     0.900 peak   258 weight  0.10000E+01 volume  0.26290E+07 ppm1      7.405 ppm2      1.919
 ASSI {  260}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HG1%)
      3.200     1.300     1.300 peak   260 weight  0.10000E+01 volume  0.83880E+06 ppm1      7.405 ppm2      0.967
 ASSI {  261}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      3.300     1.400     1.400 peak   261 weight  0.10000E+01 volume  0.69020E+06 ppm1      7.405 ppm2      6.954
 ASSI {  262}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.600     1.600     1.600 peak   262 weight  0.10000E+01 volume  0.41090E+06 ppm1      7.405 ppm2      8.576
 ASSI {  264}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.600     2.600     2.900 peak   264 weight  0.10000E+01 volume  0.31860E+07 ppm1      8.253 ppm2      4.533
 ASSI {  266}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.700     2.700     2.800 peak   266 weight  0.10000E+01 volume  0.26170E+07 ppm1      7.353 ppm2      4.527
 ASSI {  268}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB3 ))
      2.500     0.800     0.800 peak   268 weight  0.10000E+01 volume  0.41320E+07 ppm1      8.250 ppm2      1.799
 ASSI {  269}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.500     2.500     3.000 peak   269 weight  0.10000E+01 volume  0.39550E+07 ppm1      8.250 ppm2      2.081
 OR {  269}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
 ASSI {  270}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   270 weight  0.10000E+01 volume  0.20130E+07 ppm1      8.250 ppm2      3.937
 ASSI {  272}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     2.900     2.600 peak   272 weight  0.10000E+01 volume  0.14730E+07 ppm1      8.250 ppm2      7.724
 ASSI {  285}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HD2 ))
      2.300     2.300     3.200 peak   285 weight  0.10000E+01 volume  0.70060E+07 ppm1      7.771 ppm2      4.282
 OR {  285}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
 ASSI {  286}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.600     0.800     0.800 peak   286 weight  0.10000E+01 volume  0.31490E+07 ppm1      7.771 ppm2      3.615
 OR {  286}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI {  287}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
      2.700     0.900     0.900 peak   287 weight  0.10000E+01 volume  0.22770E+07 ppm1      7.771 ppm2      1.726
 ASSI {  288}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   288 weight  0.10000E+01 volume  0.38290E+07 ppm1      7.771 ppm2      4.495
 ASSI {  290}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak   290 weight  0.10000E+01 volume  0.79620E+06 ppm1      7.771 ppm2      8.724
 ASSI {  291}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.300     1.400     1.400 peak   291 weight  0.10000E+01 volume  0.67740E+06 ppm1      7.771 ppm2      2.636
 ASSI {  293}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      5.500     3.800     0.000 peak   293 weight  0.10000E+01 volume  0.26490E+05 ppm1      7.771 ppm2      8.437
 ASSI {  300}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.400     0.700     0.700 peak   300 weight  0.10000E+01 volume  0.48760E+07 ppm1      7.741 ppm2      4.092
 ASSI {  301}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB3 ))
      2.500     0.800     0.800 peak   301 weight  0.10000E+01 volume  0.33610E+07 ppm1      7.741 ppm2      1.792
 ASSI {  302}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HG3 ))
      2.900     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.14700E+07 ppm1      7.741 ppm2      2.098
 OR {  302}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HG2 ))
 ASSI {  303}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.400     1.400     1.400 peak   303 weight  0.10000E+01 volume  0.62130E+06 ppm1      7.741 ppm2      1.896
 ASSI {  304}
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      5.500     3.800     0.000 peak   304 weight  0.10000E+01 volume -0.76300E+06 ppm1      7.741 ppm2      7.628
 ASSI {  307}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   307 weight  0.10000E+01 volume  0.26030E+07 ppm1      9.055 ppm2      4.660
 ASSI {  309}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      2.800     1.000     1.000 peak   309 weight  0.10000E+01 volume  0.18740E+07 ppm1      9.055 ppm2      1.490
 ASSI {  310}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      2.500     0.800     0.800 peak   310 weight  0.10000E+01 volume  0.40570E+07 ppm1      9.055 ppm2      0.736
 ASSI {  311}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      3.100     1.200     1.200 peak   311 weight  0.10000E+01 volume  0.11020E+07 ppm1      9.055 ppm2      0.539
 ASSI {  312}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   312 weight  0.10000E+01 volume  0.78850E+06 ppm1      9.055 ppm2      4.189
 ASSI {  314}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.700     2.800     0.800 peak   314 weight  0.10000E+01 volume  0.90140E+05 ppm1      9.055 ppm2     -0.810
 ASSI {  316}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak   316 weight  0.10000E+01 volume  0.56420E+07 ppm1      9.048 ppm2      4.606
 ASSI {  317}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      2.500     0.800     0.800 peak   317 weight  0.10000E+01 volume  0.35400E+07 ppm1      9.048 ppm2      0.654
 ASSI {  318}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.600     2.600     2.900 peak   318 weight  0.10000E+01 volume  0.33140E+07 ppm1      9.048 ppm2      1.374
 ASSI {  319}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     2.900     2.600 peak   319 weight  0.10000E+01 volume  0.16180E+07 ppm1      9.048 ppm2      1.558
 ASSI {  320}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.400     1.400 peak   320 weight  0.10000E+01 volume  0.57930E+06 ppm1      9.048 ppm2      4.217
 ASSI {  323}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      5.300     3.500     0.200 peak   323 weight  0.10000E+01 volume  0.41600E+05 ppm1      9.048 ppm2      5.016
 ASSI {  327}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak   327 weight  0.10000E+01 volume  0.32230E+07 ppm1      8.879 ppm2      4.707
 ASSI {  328}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      2.900     1.100     1.100 peak   328 weight  0.10000E+01 volume  0.14710E+07 ppm1      8.879 ppm2      0.049
 ASSI {  330}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   330 weight  0.10000E+01 volume  0.99720E+06 ppm1      8.879 ppm2      2.855
 ASSI {  331}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.200     1.300     1.300 peak   331 weight  0.10000E+01 volume  0.80340E+06 ppm1      8.879 ppm2      2.360
 ASSI {  332}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD% )
      3.400     1.400     1.400 peak   332 weight  0.10000E+01 volume  0.62130E+06 ppm1      8.879 ppm2      6.889
 ASSI {  333}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      3.000     3.000     2.500 peak   333 weight  0.10000E+01 volume  0.11420E+07 ppm1      8.879 ppm2      0.463
 ASSI {  335}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      5.500     3.800     0.000 peak   335 weight  0.10000E+01 volume -0.44180E+07 ppm1      8.885 ppm2      4.924
 ASSI {  336}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak   336 weight  0.10000E+01 volume  0.40790E+07 ppm1      8.885 ppm2      4.998
 ASSI {  338}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.800     2.800     2.700 peak   338 weight  0.10000E+01 volume  0.18540E+07 ppm1      8.885 ppm2      1.939
 ASSI {  340}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.000     1.100     1.100 peak   340 weight  0.10000E+01 volume  0.12250E+07 ppm1      8.885 ppm2      1.598
 OR {  340}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  342}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak   342 weight  0.10000E+01 volume  0.12460E+07 ppm1      8.885 ppm2      8.431
 ASSI {  343}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.100     1.200     1.200 peak   343 weight  0.10000E+01 volume  0.94870E+06 ppm1      8.885 ppm2      2.714
 OR {  343}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  344}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      3.500     1.500     1.500 peak   344 weight  0.10000E+01 volume  0.51650E+06 ppm1      8.885 ppm2      6.632
 ASSI {  345}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.700     0.900     0.900 peak   345 weight  0.10000E+01 volume  0.24550E+07 ppm1      8.879 ppm2      0.769
 ASSI {  346}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak   346 weight  0.10000E+01 volume  0.14900E+07 ppm1      8.879 ppm2      1.087
 ASSI {  347}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   347 weight  0.10000E+01 volume  0.49510E+07 ppm1      8.879 ppm2      4.812
 ASSI {  348}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD% )
      3.000     1.100     1.100 peak   348 weight  0.10000E+01 volume  0.12340E+07 ppm1      8.879 ppm2      6.844
 ASSI {  350}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      3.200     1.300     1.300 peak   350 weight  0.10000E+01 volume  0.93710E+06 ppm1      8.879 ppm2      2.565
 ASSI {  351}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.600     1.600     1.600 peak   351 weight  0.10000E+01 volume  0.42790E+06 ppm1      8.879 ppm2      3.178
 ASSI {  353}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   353 weight  0.10000E+01 volume  0.38320E+07 ppm1      7.225 ppm2      4.513
 ASSI {  354}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.700     0.900     0.900 peak   354 weight  0.10000E+01 volume  0.23690E+07 ppm1      7.225 ppm2      1.582
 ASSI {  355}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak   355 weight  0.10000E+01 volume  0.18720E+07 ppm1      7.225 ppm2      1.282
 ASSI {  356}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   356 weight  0.10000E+01 volume  0.79390E+06 ppm1      7.225 ppm2      5.221
 ASSI {  357}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak   357 weight  0.10000E+01 volume  0.63100E+06 ppm1      7.225 ppm2      3.787
 ASSI {  358}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.400     1.400     1.400 peak   358 weight  0.10000E+01 volume  0.57600E+06 ppm1      7.225 ppm2      0.549
 ASSI {  359}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.600     1.600     1.600 peak   359 weight  0.10000E+01 volume  0.40180E+06 ppm1      7.225 ppm2      0.729
 ASSI {  360}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak   360 weight  0.10000E+01 volume  0.56530E+06 ppm1      7.225 ppm2      2.080
 ASSI {  363}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   363 weight  0.10000E+01 volume  0.27000E+07 ppm1      7.183 ppm2      4.331
 ASSI {  364}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     2.400     3.100 peak   364 weight  0.10000E+01 volume  0.53160E+07 ppm1      7.183 ppm2      7.507
 ASSI {  365}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak   365 weight  0.10000E+01 volume  0.35280E+07 ppm1      7.183 ppm2      1.805
 OR {  365}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  366}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      2.700     2.700     2.800 peak   366 weight  0.10000E+01 volume  0.25430E+07 ppm1      7.183 ppm2      1.358
 OR {  366}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
 ASSI {  367}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   367 weight  0.10000E+01 volume  0.24620E+07 ppm1      7.183 ppm2      8.568
 ASSI {  368}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.900     2.900     2.600 peak   368 weight  0.10000E+01 volume  0.15850E+07 ppm1      7.183 ppm2      1.586
 ASSI {  369}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.100     3.100     2.400 peak   369 weight  0.10000E+01 volume  0.96150E+06 ppm1      7.183 ppm2      6.899
 ASSI {  370}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.200     1.300     1.300 peak   370 weight  0.10000E+01 volume  0.91930E+06 ppm1      7.183 ppm2      2.587
 ASSI {  372}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   372 weight  0.10000E+01 volume  0.36260E+06 ppm1      7.183 ppm2      3.756
 ASSI {  373}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.700     1.700     1.700 peak   373 weight  0.10000E+01 volume  0.38380E+06 ppm1      7.183 ppm2      2.087
 ASSI {  377}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   377 weight  0.10000E+01 volume  0.75040E+07 ppm1      8.874 ppm2      4.946
 ASSI {  379}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.800     0.800 peak   379 weight  0.10000E+01 volume  0.29500E+07 ppm1      8.874 ppm2      2.038
 ASSI {  380}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   380 weight  0.10000E+01 volume  0.15850E+07 ppm1      8.874 ppm2      5.095
 ASSI {  381}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.000     3.000     2.500 peak   381 weight  0.10000E+01 volume  0.12640E+07 ppm1      8.874 ppm2      6.902
 ASSI {  382}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.000     1.100     1.100 peak   382 weight  0.10000E+01 volume  0.13140E+07 ppm1      8.874 ppm2      0.687
 ASSI {  384}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      3.000     1.100     1.100 peak   384 weight  0.10000E+01 volume  0.13230E+07 ppm1      8.874 ppm2      1.844
 ASSI {  386}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG3 ))
      3.000     1.100     1.100 peak   386 weight  0.10000E+01 volume  0.11830E+07 ppm1      8.874 ppm2      2.550
 OR {  386}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  387}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     2.900     2.600 peak   387 weight  0.10000E+01 volume  0.15680E+07 ppm1      8.874 ppm2      8.556
 ASSI {  394}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA1 ))
      4.100     2.100     1.400 peak   394 weight  0.10000E+01 volume  0.18060E+06 ppm1      8.859 ppm2      3.747
 ASSI {  395}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA2 ))
      4.400     2.400     1.100 peak   395 weight  0.10000E+01 volume  0.11880E+06 ppm1      8.859 ppm2      3.480
 ASSI {  396}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HD3 ))
      2.600     0.800     0.800 peak   396 weight  0.10000E+01 volume  0.27510E+07 ppm1      8.819 ppm2      2.652
 OR {  396}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HD2 ))
 ASSI {  397}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   397 weight  0.10000E+01 volume  0.53400E+07 ppm1      8.819 ppm2      5.733
 ASSI {  399}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      2.700     0.900     0.900 peak   399 weight  0.10000E+01 volume  0.21200E+07 ppm1      8.819 ppm2      0.593
 ASSI {  400}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.100     1.200     1.200 peak   400 weight  0.10000E+01 volume  0.11370E+07 ppm1      8.819 ppm2      5.253
 ASSI {  401}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HD% )
      2.900     1.100     1.100 peak   401 weight  0.10000E+01 volume  0.16030E+07 ppm1      8.819 ppm2      6.648
 ASSI {  402}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.900     1.100     1.100 peak   402 weight  0.10000E+01 volume  0.15730E+07 ppm1      8.819 ppm2      1.375
 ASSI {  403}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.800     1.000     1.000 peak   403 weight  0.10000E+01 volume  0.20170E+07 ppm1      8.819 ppm2      1.619
 ASSI {  405}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.100     1.200     1.200 peak   405 weight  0.10000E+01 volume  0.11300E+07 ppm1      8.819 ppm2      3.157
 ASSI {  407}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.400     1.400     1.400 peak   407 weight  0.10000E+01 volume  0.59090E+06 ppm1      8.819 ppm2      4.394
 ASSI {  408}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.400     1.400 peak   408 weight  0.10000E+01 volume  0.55990E+06 ppm1      8.819 ppm2      9.335
 ASSI {  410}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.000     3.000     2.500 peak   410 weight  0.10000E+01 volume  0.11480E+07 ppm1      7.732 ppm2      4.550
 ASSI {  414}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      2.600     0.800     0.800 peak   414 weight  0.10000E+01 volume  0.32750E+07 ppm1      8.802 ppm2      1.620
 ASSI {  415}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.100     0.600     0.600 peak   415 weight  0.10000E+01 volume  0.98200E+07 ppm1      8.802 ppm2      4.946
 ASSI {  417}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.500     0.800     0.800 peak   417 weight  0.10000E+01 volume  0.33670E+07 ppm1      8.802 ppm2      0.672
 ASSI {  418}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.600     2.600     2.900 peak   418 weight  0.10000E+01 volume  0.27000E+07 ppm1      8.802 ppm2      2.552
 OR {  418}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  419}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG13))
      3.000     1.100     1.100 peak   419 weight  0.10000E+01 volume  0.11700E+07 ppm1      8.802 ppm2      1.415
 OR {  419}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG12))
 ASSI {  420}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.400     1.400 peak   420 weight  0.10000E+01 volume  0.69300E+06 ppm1      8.802 ppm2      5.144
 ASSI {  423}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      3.500     1.500     1.500 peak   423 weight  0.10000E+01 volume  0.52150E+06 ppm1      8.806 ppm2      0.982
 ASSI {  424}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.300     1.400     1.400 peak   424 weight  0.10000E+01 volume  0.76770E+06 ppm1      8.802 ppm2      9.173
 ASSI {  426}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      1.700     1.700     3.800 peak   426 weight  0.10000E+01 volume  0.42590E+08 ppm1      7.704 ppm2      4.514
 ASSI {  427}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG3 ))
      2.400     0.700     0.700 peak   427 weight  0.10000E+01 volume  0.48560E+07 ppm1      7.704 ppm2      0.744
 OR {  427}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  428}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     2.700     2.800 peak   428 weight  0.10000E+01 volume  0.22590E+07 ppm1      7.704 ppm2      1.609
 ASSI {  429}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.900     1.100     1.100 peak   429 weight  0.10000E+01 volume  0.14400E+07 ppm1      7.704 ppm2      8.900
 ASSI {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   432 weight  0.10000E+01 volume  0.11170E+07 ppm1      7.704 ppm2      5.213
 ASSI {  435}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.800     1.000     1.000 peak   435 weight  0.10000E+01 volume  0.17290E+07 ppm1      7.704 ppm2      1.411
 ASSI {  437}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HE3 ))
      3.500     1.500     1.500 peak   437 weight  0.10000E+01 volume  0.48850E+06 ppm1      7.704 ppm2      2.503
 OR {  437}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HE2 ))
 ASSI {  439}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.300     0.700     0.700 peak   439 weight  0.10000E+01 volume  0.55280E+07 ppm1      7.700 ppm2      4.080
 ASSI {  440}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB3 ))
      2.600     0.800     0.800 peak   440 weight  0.10000E+01 volume  0.29650E+07 ppm1      7.700 ppm2      2.398
 ASSI {  442}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak   442 weight  0.10000E+01 volume  0.42320E+07 ppm1      7.700 ppm2      1.667
 ASSI {  443}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      3.200     1.300     1.300 peak   443 weight  0.10000E+01 volume  0.82660E+06 ppm1      7.700 ppm2      2.457
 ASSI {  444}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HD3 ))
      4.100     2.100     1.400 peak   444 weight  0.10000E+01 volume  0.18790E+06 ppm1      7.700 ppm2      2.991
 OR {  444}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HD2 ))
 ASSI {  445}
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB3 ))
      5.500     3.800     0.000 peak   445 weight  0.10000E+01 volume -0.10600E+07 ppm1      7.700 ppm2      1.582
 ASSI {  446}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak   446 weight  0.10000E+01 volume  0.29510E+07 ppm1      7.624 ppm2      1.033
 OR {  446}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG3 ))
 ASSI {  447}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   447 weight  0.10000E+01 volume  0.39630E+07 ppm1      7.624 ppm2      4.064
 ASSI {  450}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak   450 weight  0.10000E+01 volume  0.50000E+06 ppm1      7.624 ppm2      5.591
 ASSI {  455}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   455 weight  0.10000E+01 volume  0.61400E+07 ppm1      7.704 ppm2      4.532
 ASSI {  457}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   457 weight  0.10000E+01 volume  0.18920E+07 ppm1      7.704 ppm2      1.814
 ASSI {  458}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.100     1.200     1.200 peak   458 weight  0.10000E+01 volume  0.95160E+06 ppm1      7.704 ppm2      2.666
 ASSI {  459}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HG3 ))
      3.100     1.200     1.200 peak   459 weight  0.10000E+01 volume  0.97820E+06 ppm1      7.704 ppm2      2.069
 ASSI {  461}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.100     1.200     1.200 peak   461 weight  0.10000E+01 volume  0.98190E+06 ppm1      7.704 ppm2      2.424
 ASSI {  465}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.400     0.700     0.700 peak   465 weight  0.10000E+01 volume  0.52050E+07 ppm1      8.246 ppm2      1.922
 ASSI {  466}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.500     0.800     0.800 peak   466 weight  0.10000E+01 volume  0.35100E+07 ppm1      8.246 ppm2      3.882
 ASSI {  467}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB3 ))
      2.500     2.500     3.000 peak   467 weight  0.10000E+01 volume  0.36470E+07 ppm1      8.246 ppm2      1.666
 ASSI {  468}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.800     2.800     2.700 peak   468 weight  0.10000E+01 volume  0.17970E+07 ppm1      8.246 ppm2      3.756
 OR {  468}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
 ASSI {  469}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.100     1.200     1.200 peak   469 weight  0.10000E+01 volume  0.10380E+07 ppm1      8.246 ppm2      7.430
 ASSI {  470}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.300     3.300     2.200 peak   470 weight  0.10000E+01 volume  0.71490E+06 ppm1      8.246 ppm2      2.967
 ASSI {  473}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      2.200     0.600     0.600 peak   473 weight  0.10000E+01 volume  0.76410E+07 ppm1      6.992 ppm2      3.755
 OR {  473}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  474}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.300     0.700     0.700 peak   474 weight  0.10000E+01 volume  0.65470E+07 ppm1      6.992 ppm2      4.531
 ASSI {  476}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HG2%)
      3.300     1.400     1.400 peak   476 weight  0.10000E+01 volume  0.68220E+06 ppm1      6.992 ppm2      0.952
 ASSI {  477}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   477 weight  0.10000E+01 volume  0.10910E+07 ppm1      6.992 ppm2      4.150
 ASSI {  478}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.200     1.300     1.300 peak   478 weight  0.10000E+01 volume  0.80170E+06 ppm1      6.992 ppm2      8.253
 ASSI {  479}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      3.600     1.600     1.600 peak   479 weight  0.10000E+01 volume  0.43470E+06 ppm1      6.992 ppm2      1.900
 ASSI {  483}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      2.500     0.800     0.800 peak   483 weight  0.10000E+01 volume  0.33800E+07 ppm1      6.977 ppm2      1.047
 ASSI {  484}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      2.700     0.900     0.900 peak   484 weight  0.10000E+01 volume  0.25340E+07 ppm1      6.977 ppm2      0.526
 ASSI {  485}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     1.100     1.100 peak   485 weight  0.10000E+01 volume  0.11850E+07 ppm1      6.977 ppm2      0.752
 OR {  485}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  486}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   486 weight  0.10000E+01 volume  0.10250E+07 ppm1      6.977 ppm2      8.792
 ASSI {  487}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak   487 weight  0.10000E+01 volume  0.53660E+06 ppm1      6.977 ppm2      4.050
 ASSI {  488}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.400     1.400 peak   488 weight  0.10000E+01 volume  0.70090E+06 ppm1      6.977 ppm2      4.722
 ASSI {  490}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak   490 weight  0.10000E+01 volume  0.45240E+07 ppm1      6.890 ppm2      4.634
 ASSI {  491}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.200     2.200     3.300 peak   491 weight  0.10000E+01 volume  0.74280E+07 ppm1      6.890 ppm2      1.847
 ASSI {  492}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.200     0.600     0.600 peak   492 weight  0.10000E+01 volume  0.75300E+07 ppm1      6.890 ppm2      1.582
 ASSI {  493}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      2.700     2.700     2.800 peak   493 weight  0.10000E+01 volume  0.24360E+07 ppm1      6.890 ppm2      0.796
 ASSI {  494}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.700     0.900     0.900 peak   494 weight  0.10000E+01 volume  0.26030E+07 ppm1      6.890 ppm2      3.490
 ASSI {  495}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak   495 weight  0.10000E+01 volume  0.29520E+07 ppm1      6.890 ppm2      8.301
 ASSI {  497}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG2 ))
      2.500     2.500     3.000 peak   497 weight  0.10000E+01 volume  0.41110E+07 ppm1      6.890 ppm2      1.995
 OR {  497}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG3 ))
 ASSI {  498}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.100     3.100     2.400 peak   498 weight  0.10000E+01 volume  0.10320E+07 ppm1      6.890 ppm2      1.346
 ASSI {  499}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HD2 ))
      3.400     1.400     1.400 peak   499 weight  0.10000E+01 volume  0.62100E+06 ppm1      6.890 ppm2      3.628
 OR {  499}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI {  501}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.300     2.300     3.200 peak   501 weight  0.10000E+01 volume  0.66580E+07 ppm1      6.866 ppm2      1.786
 ASSI {  503}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG  ))
      2.300     2.300     3.200 peak   503 weight  0.10000E+01 volume  0.61410E+07 ppm1      6.866 ppm2      1.507
 ASSI {  504}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.600     0.800     0.800 peak   504 weight  0.10000E+01 volume  0.29020E+07 ppm1      6.866 ppm2      1.351
 ASSI {  505}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      2.600     2.600     2.900 peak   505 weight  0.10000E+01 volume  0.30280E+07 ppm1      6.866 ppm2      0.796
 ASSI {  507}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak   507 weight  0.10000E+01 volume  0.41820E+07 ppm1      6.866 ppm2      4.648
 ASSI {  508}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      2.900     1.100     1.100 peak   508 weight  0.10000E+01 volume  0.15840E+07 ppm1      6.866 ppm2      0.906
 ASSI {  509}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA2 ))
      2.900     1.100     1.100 peak   509 weight  0.10000E+01 volume  0.15900E+07 ppm1      6.866 ppm2      3.509
 ASSI {  510}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA1 ))
      3.100     1.200     1.200 peak   510 weight  0.10000E+01 volume  0.11380E+07 ppm1      6.866 ppm2      3.972
 ASSI {  519}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.200     0.600     0.600 peak   519 weight  0.10000E+01 volume  0.78470E+07 ppm1      7.626 ppm2      1.768
 ASSI {  520}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak   520 weight  0.10000E+01 volume  0.29240E+07 ppm1      7.626 ppm2      3.922
 ASSI {  521}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      2.800     2.800     2.700 peak   521 weight  0.10000E+01 volume  0.17830E+07 ppm1      7.626 ppm2      0.731
 ASSI {  522}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.000     1.100     1.100 peak   522 weight  0.10000E+01 volume  0.13130E+07 ppm1      7.626 ppm2      8.136
 ASSI {  523}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak   523 weight  0.10000E+01 volume  0.22280E+07 ppm1      7.626 ppm2      8.066
 ASSI {  524}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.100     1.200     1.200 peak   524 weight  0.10000E+01 volume  0.95770E+06 ppm1      7.626 ppm2      3.732
 ASSI {  525}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.200     1.300     1.300 peak   525 weight  0.10000E+01 volume  0.80910E+06 ppm1      7.626 ppm2      1.359
 ASSI {  527}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG2 ))
      3.400     1.400     1.400 peak   527 weight  0.10000E+01 volume  0.56040E+06 ppm1      7.626 ppm2      1.637
 OR {  527}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG3 ))
 ASSI {  528}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HD2 ))
      3.900     1.900     1.600 peak   528 weight  0.10000E+01 volume  0.25980E+06 ppm1      7.626 ppm2      3.022
 OR {  528}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HD3 ))
 ASSI {  529}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      4.400     2.400     1.100 peak   529 weight  0.10000E+01 volume  0.12570E+06 ppm1      7.626 ppm2      2.066
 OR {  529}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HB3 ))
 ASSI {  530}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.500     0.800     0.800 peak   530 weight  0.10000E+01 volume  0.39380E+07 ppm1      7.599 ppm2      3.966
 ASSI {  532}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 115  and name HB% )
      2.400     0.700     0.700 peak   532 weight  0.10000E+01 volume  0.45300E+07 ppm1      7.599 ppm2      1.305
 ASSI {  533}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB2 ))
      2.800     2.800     2.700 peak   533 weight  0.10000E+01 volume  0.17300E+07 ppm1      7.599 ppm2      2.945
 OR {  533}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HB3 ))
 ASSI {  534}
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 114  and name HD% )
      3.400     1.400     1.400 peak   534 weight  0.10000E+01 volume  0.64690E+06 ppm1      7.599 ppm2      6.951
 ASSI {  535}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HA  ))
      2.900     1.100     1.100 peak   535 weight  0.10000E+01 volume  0.16270E+07 ppm1      7.599 ppm2      4.212
 ASSI {  536}
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 114  and name HN  ))
      4.200     2.200     1.300 peak   536 weight  0.10000E+01 volume  0.15850E+06 ppm1      7.599 ppm2      7.829
 ASSI {  537}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.800     1.000     1.000 peak   537 weight  0.10000E+01 volume  0.20210E+07 ppm1      8.801 ppm2      1.909
 ASSI {  538}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak   538 weight  0.10000E+01 volume  0.41700E+07 ppm1      8.801 ppm2      4.368
 ASSI {  540}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      2.700     2.700     2.800 peak   540 weight  0.10000E+01 volume  0.25980E+07 ppm1      8.801 ppm2      0.848
 ASSI {  541}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      2.900     1.100     1.100 peak   541 weight  0.10000E+01 volume  0.15540E+07 ppm1      8.801 ppm2      1.394
 ASSI {  542}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD1%)
      2.700     0.900     0.900 peak   542 weight  0.10000E+01 volume  0.21310E+07 ppm1      8.801 ppm2      0.557
 ASSI {  543}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   543 weight  0.10000E+01 volume  0.73830E+06 ppm1      8.801 ppm2      5.257
 ASSI {  544}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.500     1.500     1.500 peak   544 weight  0.10000E+01 volume  0.46670E+06 ppm1      8.801 ppm2      1.289
 ASSI {  546}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   546 weight  0.10000E+01 volume  0.77080E+06 ppm1      8.801 ppm2      4.958
 ASSI {  547}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HD2%)
      4.400     2.400     1.100 peak   547 weight  0.10000E+01 volume  0.12720E+06 ppm1      8.801 ppm2      0.390
 ASSI {  552}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.100     1.100 peak   552 weight  0.10000E+01 volume  0.15750E+07 ppm1      8.804 ppm2      5.564
 ASSI {  553}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      3.100     1.200     1.200 peak   553 weight  0.10000E+01 volume  0.96990E+06 ppm1      8.804 ppm2      0.942
 ASSI {  554}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 36   and name HD2 ))
      3.200     3.200     2.300 peak   554 weight  0.10000E+01 volume  0.81340E+06 ppm1      8.804 ppm2      0.531
 ASSI {  555}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.500     1.500 peak   555 weight  0.10000E+01 volume  0.48220E+06 ppm1      8.804 ppm2      5.042
 ASSI {  556}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.500     1.500     1.500 peak   556 weight  0.10000E+01 volume  0.50010E+06 ppm1      8.804 ppm2      4.659
 ASSI {  557}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HD1%)
      3.700     1.700     1.700 peak   557 weight  0.10000E+01 volume  0.33470E+06 ppm1      8.804 ppm2     -0.190
 ASSI {  558}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.800     1.800     1.700 peak   558 weight  0.10000E+01 volume  0.28490E+06 ppm1      8.804 ppm2      3.657
 ASSI {  560}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.900     1.900     1.600 peak   560 weight  0.10000E+01 volume  0.26560E+06 ppm1      8.804 ppm2      3.563
 ASSI {  561}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      3.900     1.900     1.600 peak   561 weight  0.10000E+01 volume  0.25710E+06 ppm1      8.804 ppm2      0.667
 ASSI {  563}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.500     2.500     1.000 peak   563 weight  0.10000E+01 volume  0.11460E+06 ppm1      8.804 ppm2      8.450
 ASSI {  564}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak   564 weight  0.10000E+01 volume  0.16380E+07 ppm1      8.788 ppm2      3.286
 ASSI {  567}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      2.800     2.800     2.700 peak   567 weight  0.10000E+01 volume  0.20220E+07 ppm1      8.788 ppm2      0.515
 ASSI {  568}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG12))
      3.200     1.300     1.300 peak   568 weight  0.10000E+01 volume  0.88850E+06 ppm1      8.788 ppm2      1.259
 ASSI {  569}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      2.900     1.100     1.100 peak   569 weight  0.10000E+01 volume  0.14360E+07 ppm1      8.788 ppm2      1.069
 ASSI {  570}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   570 weight  0.10000E+01 volume  0.90200E+06 ppm1      8.788 ppm2      3.535
 ASSI {  571}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG13))
      3.000     1.100     1.100 peak   571 weight  0.10000E+01 volume  0.13740E+07 ppm1      8.788 ppm2      0.765
 ASSI {  581}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   581 weight  0.10000E+01 volume  0.44720E+07 ppm1      8.721 ppm2      4.213
 ASSI {  582}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.600     2.600     2.900 peak   582 weight  0.10000E+01 volume  0.28480E+07 ppm1      8.721 ppm2      1.798
 ASSI {  583}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      2.700     0.900     0.900 peak   583 weight  0.10000E+01 volume  0.23130E+07 ppm1      8.721 ppm2      0.659
 ASSI {  585}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.000     3.000     2.500 peak   585 weight  0.10000E+01 volume  0.13200E+07 ppm1      8.721 ppm2      1.309
 ASSI {  586}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.500     1.500 peak   586 weight  0.10000E+01 volume  0.47130E+06 ppm1      8.721 ppm2      9.047
 ASSI {  587}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   587 weight  0.10000E+01 volume  0.59870E+06 ppm1      8.721 ppm2      4.599
 ASSI {  588}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     1.400     1.400 peak   588 weight  0.10000E+01 volume  0.61760E+06 ppm1      8.721 ppm2      1.591
 ASSI {  589}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.600 peak   589 weight  0.10000E+01 volume  0.24790E+06 ppm1      8.721 ppm2      4.836
 ASSI {  590}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.800     1.800     1.700 peak   590 weight  0.10000E+01 volume  0.29210E+06 ppm1      8.721 ppm2     -0.431
 ASSI {  591}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.200     2.200     1.300 peak   591 weight  0.10000E+01 volume  0.16080E+06 ppm1      8.721 ppm2      9.707
 ASSI {  592}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     2.200     3.300 peak   592 weight  0.10000E+01 volume  0.89500E+07 ppm1      8.706 ppm2      4.528
 ASSI {  594}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak   594 weight  0.10000E+01 volume  0.18220E+07 ppm1      8.706 ppm2      2.561
 ASSI {  595}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak   595 weight  0.10000E+01 volume  0.19700E+07 ppm1      8.706 ppm2      9.074
 ASSI {  596}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      3.000     3.000     2.500 peak   596 weight  0.10000E+01 volume  0.13780E+07 ppm1      8.706 ppm2      6.831
 ASSI {  599}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.800     1.800     1.700 peak   599 weight  0.10000E+01 volume  0.32720E+06 ppm1      8.706 ppm2      2.039
 ASSI {  600}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      2.700     2.700     2.800 peak   600 weight  0.10000E+01 volume  0.24040E+07 ppm1      8.716 ppm2      1.005
 ASSI {  601}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      3.400     1.400     1.400 peak   601 weight  0.10000E+01 volume  0.59510E+06 ppm1      8.718 ppm2      0.663
 ASSI {  603}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      3.300     1.400     1.400 peak   603 weight  0.10000E+01 volume  0.67460E+06 ppm1      8.712 ppm2      0.481
 ASSI {  607}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.500     0.800     0.800 peak   607 weight  0.10000E+01 volume  0.34870E+07 ppm1      6.812 ppm2      0.852
 ASSI {  608}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak   608 weight  0.10000E+01 volume  0.15920E+07 ppm1      6.812 ppm2      8.553
 ASSI {  609}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.000     1.100     1.100 peak   609 weight  0.10000E+01 volume  0.13680E+07 ppm1      6.812 ppm2      3.746
 OR {  609}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  610}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   610 weight  0.10000E+01 volume  0.19400E+07 ppm1      6.812 ppm2      4.069
 ASSI {  611}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   611 weight  0.10000E+01 volume  0.45170E+07 ppm1      6.812 ppm2      4.240
 ASSI {  612}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.700 peak   612 weight  0.10000E+01 volume  0.29670E+06 ppm1      6.812 ppm2      1.185
 ASSI {  613}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak   613 weight  0.10000E+01 volume  0.57680E+07 ppm1      8.172 ppm2      4.101
 ASSI {  614}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB  ))
      2.400     0.700     0.700 peak   614 weight  0.10000E+01 volume  0.50860E+07 ppm1      8.172 ppm2      1.470
 ASSI {  616}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HG2%)
      2.600     0.800     0.800 peak   616 weight  0.10000E+01 volume  0.29620E+07 ppm1      8.172 ppm2      0.558
 ASSI {  618}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.400     1.400     1.400 peak   618 weight  0.10000E+01 volume  0.57900E+06 ppm1      8.172 ppm2      1.634
 OR {  618}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
 ASSI {  619}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   619 weight  0.10000E+01 volume  0.92090E+06 ppm1      8.172 ppm2      3.267
 ASSI {  633}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   633 weight  0.10000E+01 volume  0.89580E+06 ppm1      8.057 ppm2      4.253
 ASSI {  634}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.200     1.300     1.300 peak   634 weight  0.10000E+01 volume  0.86710E+06 ppm1      8.057 ppm2      3.994
 ASSI {  638}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.400     0.700     0.700 peak   638 weight  0.10000E+01 volume  0.52060E+07 ppm1      8.137 ppm2      1.762
 ASSI {  640}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   640 weight  0.10000E+01 volume  0.19740E+07 ppm1      8.137 ppm2      3.879
 ASSI {  641}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HD1%)
      2.500     0.800     0.800 peak   641 weight  0.10000E+01 volume  0.39040E+07 ppm1      8.137 ppm2      0.722
 ASSI {  643}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.800     1.000     1.000 peak   643 weight  0.10000E+01 volume  0.17600E+07 ppm1      8.137 ppm2      1.345
 ASSI {  644}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak   644 weight  0.10000E+01 volume  0.10210E+07 ppm1      8.137 ppm2      3.080
 ASSI {  645}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      3.300     1.400     1.400 peak   645 weight  0.10000E+01 volume  0.73220E+06 ppm1      8.137 ppm2      2.752
 ASSI {  647}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      4.200     2.200     1.300 peak   647 weight  0.10000E+01 volume  0.15930E+06 ppm1      8.137 ppm2      3.720
 ASSI {  648}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      4.300     2.300     1.200 peak   648 weight  0.10000E+01 volume  0.14390E+06 ppm1      8.137 ppm2      1.061
 ASSI {  649}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      2.500     2.500     3.000 peak   649 weight  0.10000E+01 volume  0.38600E+07 ppm1      8.140 ppm2      1.927
 ASSI {  650}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HE2 ))
      3.200     3.200     2.300 peak   650 weight  0.10000E+01 volume  0.83710E+06 ppm1      8.140 ppm2      2.801
 ASSI {  652}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      5.500     3.800     0.000 peak   652 weight  0.10000E+01 volume -0.28460E+06 ppm1      8.140 ppm2      1.061
 ASSI {  653}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   653 weight  0.10000E+01 volume  0.36470E+07 ppm1      8.136 ppm2      3.750
 ASSI {  655}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      2.400     0.700     0.700 peak   655 weight  0.10000E+01 volume  0.53210E+07 ppm1      8.136 ppm2      1.060
 ASSI {  656}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.600     0.800     0.800 peak   656 weight  0.10000E+01 volume  0.27060E+07 ppm1      8.136 ppm2      8.543
 ASSI {  657}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.600     0.800     0.800 peak   657 weight  0.10000E+01 volume  0.27450E+07 ppm1      8.136 ppm2      1.719
 ASSI {  658}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.800     1.000     1.000 peak   658 weight  0.10000E+01 volume  0.17550E+07 ppm1      8.136 ppm2      1.588
 ASSI {  659}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.300     1.400     1.400 peak   659 weight  0.10000E+01 volume  0.76980E+06 ppm1      8.136 ppm2      3.489
 ASSI {  660}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      3.300     1.400     1.400 peak   660 weight  0.10000E+01 volume  0.74070E+06 ppm1      8.136 ppm2      2.719
 ASSI {  661}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 104  and name HD1%)
      4.200     2.200     1.300 peak   661 weight  0.10000E+01 volume  0.17900E+06 ppm1      8.136 ppm2      0.685
 OR {  661}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 104  and name HD2%)
 ASSI {  664}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.600     2.600     0.900 peak   664 weight  0.10000E+01 volume  0.94820E+05 ppm1      8.137 ppm2      3.926
 ASSI {  666}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.100     0.600     0.600 peak   666 weight  0.10000E+01 volume  0.94670E+07 ppm1      8.115 ppm2      2.154
 OR {  666}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  667}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     2.600     2.900 peak   667 weight  0.10000E+01 volume  0.30380E+07 ppm1      8.115 ppm2      2.295
 ASSI {  668}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   668 weight  0.10000E+01 volume  0.13230E+07 ppm1      8.115 ppm2      4.743
 ASSI {  669}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA1 ))
      2.800     1.000     1.000 peak   669 weight  0.10000E+01 volume  0.19130E+07 ppm1      8.115 ppm2      3.694
 ASSI {  670}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak   670 weight  0.10000E+01 volume  0.12390E+07 ppm1      8.115 ppm2      1.998
 ASSI {  671}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.400     1.400     1.400 peak   671 weight  0.10000E+01 volume  0.64270E+06 ppm1      8.115 ppm2      8.851
 ASSI {  672}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA2 ))
      3.100     1.200     1.200 peak   672 weight  0.10000E+01 volume  0.10680E+07 ppm1      8.115 ppm2      3.510
 ASSI {  673}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak   673 weight  0.10000E+01 volume  0.58390E+06 ppm1      8.115 ppm2      2.726
 ASSI {  674}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   674 weight  0.10000E+01 volume  0.34030E+07 ppm1      8.115 ppm2      4.287
 ASSI {  675}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      4.000     2.000     1.500 peak   675 weight  0.10000E+01 volume  0.23090E+06 ppm1      8.115 ppm2      8.532
 ASSI {  677}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      2.200     0.600     0.600 peak   677 weight  0.10000E+01 volume  0.73200E+07 ppm1      8.048 ppm2      1.777
 OR {  677}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
 ASSI {  680}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.400     0.700     0.700 peak   680 weight  0.10000E+01 volume  0.50960E+07 ppm1      8.048 ppm2      2.066
 ASSI {  681}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.700     0.900     0.900 peak   681 weight  0.10000E+01 volume  0.25610E+07 ppm1      8.048 ppm2      8.592
 ASSI {  682}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.800     1.000     1.000 peak   682 weight  0.10000E+01 volume  0.20190E+07 ppm1      8.048 ppm2      4.271
 ASSI {  683}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.100     3.100     2.400 peak   683 weight  0.10000E+01 volume  0.10570E+07 ppm1      8.048 ppm2      1.364
 ASSI {  685}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      3.200     1.300     1.300 peak   685 weight  0.10000E+01 volume  0.77800E+06 ppm1      8.048 ppm2      3.917
 ASSI {  686}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.500     1.500     1.500 peak   686 weight  0.10000E+01 volume  0.49820E+06 ppm1      8.048 ppm2      3.752
 ASSI {  687}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      3.100     3.100     2.400 peak   687 weight  0.10000E+01 volume  0.10900E+07 ppm1      8.048 ppm2      0.733
 ASSI {  688}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      4.000     2.000     1.500 peak   688 weight  0.10000E+01 volume  0.20920E+06 ppm1      8.048 ppm2      3.477
 ASSI {  690}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   690 weight  0.10000E+01 volume  0.20960E+07 ppm1      9.662 ppm2      4.834
 ASSI {  691}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.700     0.900     0.900 peak   691 weight  0.10000E+01 volume  0.25750E+07 ppm1      9.662 ppm2      0.602
 ASSI {  692}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HD1 ))
      2.800     2.800     2.700 peak   692 weight  0.10000E+01 volume  0.18610E+07 ppm1      9.662 ppm2      7.546
 ASSI {  693}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.900     1.100     1.100 peak   693 weight  0.10000E+01 volume  0.14590E+07 ppm1      9.662 ppm2      3.134
 OR {  693}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI {  695}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.400     1.400     1.400 peak   695 weight  0.10000E+01 volume  0.59020E+06 ppm1      9.662 ppm2      0.728
 ASSI {  697}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      3.700     1.700     1.700 peak   697 weight  0.10000E+01 volume  0.37940E+06 ppm1      9.662 ppm2      1.611
 OR {  697}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 89   and name HG3 ))
 ASSI {  700}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   700 weight  0.10000E+01 volume  0.13500E+07 ppm1      9.397 ppm2      5.036
 ASSI {  701}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak   701 weight  0.10000E+01 volume  0.11400E+07 ppm1      9.397 ppm2      3.184
 ASSI {  702}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak   702 weight  0.10000E+01 volume  0.80920E+06 ppm1      9.397 ppm2      5.555
 ASSI {  703}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.100     1.200     1.200 peak   703 weight  0.10000E+01 volume  0.11110E+07 ppm1      9.397 ppm2      2.606
 ASSI {  704}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.200     1.200 peak   704 weight  0.10000E+01 volume  0.94910E+06 ppm1      9.397 ppm2      2.196
 ASSI {  705}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.500     1.500     1.500 peak   705 weight  0.10000E+01 volume  0.52710E+06 ppm1      9.397 ppm2      8.793
 ASSI {  706}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.600     1.600     1.600 peak   706 weight  0.10000E+01 volume  0.39870E+06 ppm1      9.397 ppm2      6.686
 ASSI {  707}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak   707 weight  0.10000E+01 volume  0.34400E+07 ppm1      9.276 ppm2      5.252
 ASSI {  709}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG13))
      2.500     0.800     0.800 peak   709 weight  0.10000E+01 volume  0.40460E+07 ppm1      9.276 ppm2      0.708
 OR {  709}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG12))
 ASSI {  710}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.800     1.000     1.000 peak   710 weight  0.10000E+01 volume  0.20240E+07 ppm1      9.276 ppm2      1.383
 ASSI {  711}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      2.800     1.000     1.000 peak   711 weight  0.10000E+01 volume  0.20570E+07 ppm1      9.276 ppm2      0.575
 ASSI {  712}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak   712 weight  0.10000E+01 volume  0.11420E+07 ppm1      9.276 ppm2      5.927
 ASSI {  713}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.100     1.200     1.200 peak   713 weight  0.10000E+01 volume  0.98160E+06 ppm1      9.276 ppm2      1.598
 ASSI {  714}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.300     1.400     1.400 peak   714 weight  0.10000E+01 volume  0.76970E+06 ppm1      9.276 ppm2     -0.811
 ASSI {  716}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   716 weight  0.10000E+01 volume  0.10460E+07 ppm1      9.276 ppm2      9.056
 ASSI {  718}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.200     2.200     1.300 peak   718 weight  0.10000E+01 volume  0.15660E+06 ppm1      9.276 ppm2      4.284
 ASSI {  726}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.500     0.800     0.800 peak   726 weight  0.10000E+01 volume  0.36860E+07 ppm1      9.196 ppm2      5.919
 ASSI {  727}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.700     0.900     0.900 peak   727 weight  0.10000E+01 volume  0.24970E+07 ppm1      9.196 ppm2      1.859
 ASSI {  728}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HB  ))
      2.600     0.800     0.800 peak   728 weight  0.10000E+01 volume  0.29320E+07 ppm1      9.196 ppm2      1.324
 ASSI {  729}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HG2%)
      2.700     2.700     2.800 peak   729 weight  0.10000E+01 volume  0.24760E+07 ppm1      9.196 ppm2      0.625
 ASSI {  730}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG3 ))
      2.900     1.100     1.100 peak   730 weight  0.10000E+01 volume  0.14990E+07 ppm1      9.196 ppm2      1.603
 OR {  730}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  731}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 19   and name HZ3 ))
      3.000     3.000     2.500 peak   731 weight  0.10000E+01 volume  0.13420E+07 ppm1      9.196 ppm2      6.661
 ASSI {  732}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      3.400     1.400     1.400 peak   732 weight  0.10000E+01 volume  0.58480E+06 ppm1      9.196 ppm2      6.311
 ASSI {  733}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 19   and name HE3 ))
      3.700     1.700     1.700 peak   733 weight  0.10000E+01 volume  0.38250E+06 ppm1      9.196 ppm2      7.511
 ASSI {  734}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     3.400     2.100 peak   734 weight  0.10000E+01 volume  0.55130E+06 ppm1      9.196 ppm2      8.741
 ASSI {  735}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.500     1.500     1.500 peak   735 weight  0.10000E+01 volume  0.47890E+06 ppm1      9.196 ppm2      5.373
 ASSI {  736}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HE2 ))
      3.600     1.600     1.600 peak   736 weight  0.10000E+01 volume  0.44620E+06 ppm1      9.196 ppm2      2.562
 OR {  736}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI {  738}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     3.300     2.200 peak   738 weight  0.10000E+01 volume  0.70650E+06 ppm1      9.196 ppm2      9.121
 ASSI {  746}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      2.600     2.600     2.900 peak   746 weight  0.10000E+01 volume  0.26510E+07 ppm1      9.163 ppm2      1.896
 ASSI {  748}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak   748 weight  0.10000E+01 volume  0.47190E+07 ppm1      9.163 ppm2      4.184
 ASSI {  749}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   749 weight  0.10000E+01 volume  0.14350E+07 ppm1      9.163 ppm2      4.379
 ASSI {  750}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.100     1.100 peak   750 weight  0.10000E+01 volume  0.15900E+07 ppm1      9.163 ppm2      8.552
 ASSI {  751}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      2.500     0.800     0.800 peak   751 weight  0.10000E+01 volume  0.40330E+07 ppm1      9.163 ppm2      0.841
 ASSI {  752}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HG2%)
      2.600     0.800     0.800 peak   752 weight  0.10000E+01 volume  0.28920E+07 ppm1      9.163 ppm2      0.539
 ASSI {  753}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 64   and name HG13))
      3.100     1.200     1.200 peak   753 weight  0.10000E+01 volume  0.10700E+07 ppm1      9.163 ppm2      1.388
 ASSI {  756}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.300     1.400     1.400 peak   756 weight  0.10000E+01 volume  0.69340E+06 ppm1      9.163 ppm2      0.676
 ASSI {  757}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.600     3.600     1.900 peak   757 weight  0.10000E+01 volume  0.41570E+06 ppm1      9.163 ppm2      1.606
 ASSI {  760}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.800     1.000     1.000 peak   760 weight  0.10000E+01 volume  0.19520E+07 ppm1      8.734 ppm2      2.246
 ASSI {  761}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     2.900     2.600 peak   761 weight  0.10000E+01 volume  0.16570E+07 ppm1      8.734 ppm2      1.495
 ASSI {  762}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   762 weight  0.10000E+01 volume  0.33880E+07 ppm1      8.734 ppm2      4.537
 ASSI {  763}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.000     1.100     1.100 peak   763 weight  0.10000E+01 volume  0.11600E+07 ppm1      8.734 ppm2      1.878
 OR {  763}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  764}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.100     1.100 peak   764 weight  0.10000E+01 volume  0.13550E+07 ppm1      8.734 ppm2      2.657
 ASSI {  767}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      5.500     3.800     0.000 peak   767 weight  0.10000E+01 volume -0.36700E+06 ppm1      8.734 ppm2      8.457
 ASSI {  768}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.300     0.700     0.700 peak   768 weight  0.10000E+01 volume  0.60890E+07 ppm1      8.622 ppm2      1.877
 ASSI {  769}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   769 weight  0.10000E+01 volume  0.73350E+07 ppm1      8.622 ppm2      4.606
 ASSI {  770}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.800     1.000     1.000 peak   770 weight  0.10000E+01 volume  0.18200E+07 ppm1      8.622 ppm2      1.574
 ASSI {  772}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      2.900     2.900     2.600 peak   772 weight  0.10000E+01 volume  0.16080E+07 ppm1      8.622 ppm2      0.704
 ASSI {  774}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.400     3.400     2.100 peak   774 weight  0.10000E+01 volume  0.57010E+06 ppm1      8.622 ppm2      1.363
 ASSI {  777}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.400     2.400     1.100 peak   777 weight  0.10000E+01 volume  0.13240E+06 ppm1      8.622 ppm2      4.350
 ASSI {  778}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      4.000     2.000     1.500 peak   778 weight  0.10000E+01 volume  0.21060E+06 ppm1      8.622 ppm2      3.020
 OR {  778}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HD3 ))
 ASSI {  779}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HG2%)
      2.300     2.300     3.200 peak   779 weight  0.10000E+01 volume  0.61500E+07 ppm1      8.588 ppm2      0.742
 ASSI {  780}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB  ))
      2.500     0.800     0.800 peak   780 weight  0.10000E+01 volume  0.41030E+07 ppm1      8.588 ppm2      1.720
 ASSI {  784}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.700     0.900     0.900 peak   784 weight  0.10000E+01 volume  0.24210E+07 ppm1      8.588 ppm2      2.040
 ASSI {  785}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 108  and name HB% )
      3.200     1.300     1.300 peak   785 weight  0.10000E+01 volume  0.83350E+06 ppm1      8.588 ppm2      1.422
 ASSI {  786}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      2.900     1.100     1.100 peak   786 weight  0.10000E+01 volume  0.14180E+07 ppm1      8.588 ppm2      3.344
 ASSI {  787}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.500     1.500     1.500 peak   787 weight  0.10000E+01 volume  0.49950E+06 ppm1      8.588 ppm2      4.247
 ASSI {  788}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.500     1.500     1.500 peak   788 weight  0.10000E+01 volume  0.50590E+06 ppm1      8.588 ppm2      3.912
 ASSI {  791}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.300     0.700     0.700 peak   791 weight  0.10000E+01 volume  0.56320E+07 ppm1      8.578 ppm2      1.935
 ASSI {  792}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.800     1.000     1.000 peak   792 weight  0.10000E+01 volume  0.19200E+07 ppm1      8.578 ppm2      3.758
 ASSI {  794}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
      2.700     0.900     0.900 peak   794 weight  0.10000E+01 volume  0.21930E+07 ppm1      8.578 ppm2      1.770
 ASSI {  795}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      2.800     2.800     2.700 peak   795 weight  0.10000E+01 volume  0.19950E+07 ppm1      8.578 ppm2      1.489
 OR {  795}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HG3 ))
 ASSI {  796}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak   796 weight  0.10000E+01 volume  0.11360E+07 ppm1      8.578 ppm2      3.474
 ASSI {  797}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   797 weight  0.10000E+01 volume  0.88600E+06 ppm1      8.578 ppm2      3.846
 ASSI {  798}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HG1%)
      3.400     1.400     1.400 peak   798 weight  0.10000E+01 volume  0.60140E+06 ppm1      8.578 ppm2      0.951
 ASSI {  800}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HG2%)
      3.700     1.700     1.700 peak   800 weight  0.10000E+01 volume  0.37180E+06 ppm1      8.578 ppm2      0.539
 ASSI {  801}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD3 ))
      3.600     1.600     1.600 peak   801 weight  0.10000E+01 volume  0.39920E+06 ppm1      8.578 ppm2      2.423
 OR {  801}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD2 ))
 ASSI {  803}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.000     2.000     1.500 peak   803 weight  0.10000E+01 volume  0.23350E+06 ppm1      8.578 ppm2      2.993
 OR {  803}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
 ASSI {  805}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.700     0.900     0.900 peak   805 weight  0.10000E+01 volume  0.23050E+07 ppm1      8.595 ppm2      2.031
 ASSI {  806}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak   806 weight  0.10000E+01 volume  0.99270E+06 ppm1      8.595 ppm2      2.195
 ASSI {  808}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      3.500     1.500     1.500 peak   808 weight  0.10000E+01 volume  0.49680E+06 ppm1      8.595 ppm2      8.233
 ASSI {  809}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 69   and name HG2%)
      3.400     1.400     1.400 peak   809 weight  0.10000E+01 volume  0.61630E+06 ppm1      8.595 ppm2      0.959
 ASSI {  810}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB  ))
      3.400     1.400     1.400 peak   810 weight  0.10000E+01 volume  0.63400E+06 ppm1      8.595 ppm2      4.118
 ASSI {  811}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.400     1.400 peak   811 weight  0.10000E+01 volume  0.55130E+06 ppm1      8.595 ppm2      4.352
 ASSI {  813}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   813 weight  0.10000E+01 volume  0.37420E+07 ppm1      8.527 ppm2      4.358
 ASSI {  814}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   814 weight  0.10000E+01 volume  0.18190E+07 ppm1      8.527 ppm2      1.686
 ASSI {  815}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.000     1.100     1.100 peak   815 weight  0.10000E+01 volume  0.13010E+07 ppm1      8.527 ppm2      1.461
 ASSI {  816}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      3.300     1.400     1.400 peak   816 weight  0.10000E+01 volume  0.69000E+06 ppm1      8.527 ppm2      2.155
 OR {  816}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG3 ))
 ASSI {  817}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.400     1.400     1.400 peak   817 weight  0.10000E+01 volume  0.64020E+06 ppm1      8.527 ppm2      3.160
 OR {  817}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  818}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     1.900     1.600 peak   818 weight  0.10000E+01 volume  0.26330E+06 ppm1      8.527 ppm2      3.923
 ASSI {  819}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      4.300     2.300     1.200 peak   819 weight  0.10000E+01 volume  0.14440E+06 ppm1      8.527 ppm2      9.670
 ASSI {  822}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak   822 weight  0.10000E+01 volume  0.48190E+07 ppm1      8.553 ppm2      7.205
 ASSI {  824}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak   824 weight  0.10000E+01 volume  0.30530E+07 ppm1      8.553 ppm2      1.596
 ASSI {  825}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.800     1.000     1.000 peak   825 weight  0.10000E+01 volume  0.20920E+07 ppm1      8.553 ppm2      2.686
 ASSI {  826}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.800     1.000     1.000 peak   826 weight  0.10000E+01 volume  0.19730E+07 ppm1      8.553 ppm2      2.269
 ASSI {  827}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.900     1.100     1.100 peak   827 weight  0.10000E+01 volume  0.16840E+07 ppm1      8.553 ppm2      1.331
 ASSI {  828}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   828 weight  0.10000E+01 volume  0.25480E+07 ppm1      8.553 ppm2      4.347
 ASSI {  829}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.200     1.300     1.300 peak   829 weight  0.10000E+01 volume  0.79940E+06 ppm1      8.553 ppm2      3.788
 ASSI {  830}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      2.800     1.000     1.000 peak   830 weight  0.10000E+01 volume  0.19610E+07 ppm1      8.553 ppm2      2.100
 ASSI {  832}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      3.900     1.900     1.600 peak   832 weight  0.10000E+01 volume  0.27060E+06 ppm1      8.553 ppm2      0.720
 ASSI {  834}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HB% )
      2.300     0.700     0.700 peak   834 weight  0.10000E+01 volume  0.65820E+07 ppm1      8.546 ppm2      0.996
 ASSI {  835}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.200     2.200     3.300 peak   835 weight  0.10000E+01 volume  0.80220E+07 ppm1      8.546 ppm2      4.513
 ASSI {  836}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.700     2.700     2.800 peak   836 weight  0.10000E+01 volume  0.25430E+07 ppm1      8.546 ppm2      1.803
 ASSI {  837}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.700     2.700     2.800 peak   837 weight  0.10000E+01 volume  0.23770E+07 ppm1      8.546 ppm2      2.126
 ASSI {  842}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.600     0.800     0.800 peak   842 weight  0.10000E+01 volume  0.27790E+07 ppm1      8.522 ppm2      2.475
 ASSI {  843}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   843 weight  0.10000E+01 volume  0.48670E+07 ppm1      8.522 ppm2      4.396
 ASSI {  844}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.700     2.700     2.800 peak   844 weight  0.10000E+01 volume  0.21450E+07 ppm1      8.522 ppm2      3.550
 ASSI {  845}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.100     1.100 peak   845 weight  0.10000E+01 volume  0.14520E+07 ppm1      8.522 ppm2      4.050
 ASSI {  846}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.100     1.100 peak   846 weight  0.10000E+01 volume  0.11960E+07 ppm1      8.522 ppm2      1.944
 OR {  846}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
 ASSI {  847}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.000     1.100     1.100 peak   847 weight  0.10000E+01 volume  0.13720E+07 ppm1      8.522 ppm2      0.774
 ASSI {  848}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      5.500     3.800     0.000 peak   848 weight  0.10000E+01 volume -0.77140E+06 ppm1      8.522 ppm2      4.284
 ASSI {  849}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.400     1.400 peak   849 weight  0.10000E+01 volume  0.63720E+06 ppm1      8.522 ppm2      7.502
 ASSI {  851}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      3.600     1.600     1.600 peak   851 weight  0.10000E+01 volume  0.39530E+06 ppm1      8.522 ppm2      3.831
 ASSI {  853}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak   853 weight  0.10000E+01 volume  0.49040E+07 ppm1      9.115 ppm2      2.556
 OR {  853}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 ASSI {  854}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   854 weight  0.10000E+01 volume  0.20920E+07 ppm1      9.115 ppm2      4.670
 ASSI {  856}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   856 weight  0.10000E+01 volume  0.21450E+07 ppm1      9.115 ppm2      4.944
 ASSI {  857}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      3.100     1.200     1.200 peak   857 weight  0.10000E+01 volume  0.99420E+06 ppm1      9.115 ppm2      6.895
 ASSI {  858}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.700     2.700     2.800 peak   858 weight  0.10000E+01 volume  0.21900E+07 ppm1      9.115 ppm2      1.855
 ASSI {  859}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.300     1.400     1.400 peak   859 weight  0.10000E+01 volume  0.69150E+06 ppm1      9.115 ppm2      2.342
 ASSI {  860}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.400     1.400 peak   860 weight  0.10000E+01 volume  0.76850E+06 ppm1      9.115 ppm2      7.484
 ASSI {  861}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.100     1.100 peak   861 weight  0.10000E+01 volume  0.14190E+07 ppm1      9.115 ppm2      8.925
 ASSI {  862}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.700 peak   862 weight  0.10000E+01 volume  0.31280E+06 ppm1      9.115 ppm2      8.278
 ASSI {  865}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.600     2.600     2.900 peak   865 weight  0.10000E+01 volume  0.27000E+07 ppm1      9.098 ppm2      1.302
 ASSI {  867}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.800     0.800 peak   867 weight  0.10000E+01 volume  0.27690E+07 ppm1      9.098 ppm2      4.593
 ASSI {  868}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.600     0.800     0.800 peak   868 weight  0.10000E+01 volume  0.32100E+07 ppm1      9.098 ppm2      1.603
 ASSI {  869}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      2.900     1.100     1.100 peak   869 weight  0.10000E+01 volume  0.15780E+07 ppm1      9.098 ppm2      0.645
 ASSI {  871}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.700     0.900     0.900 peak   871 weight  0.10000E+01 volume  0.23050E+07 ppm1      9.098 ppm2      1.999
 ASSI {  872}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.100     3.100     2.400 peak   872 weight  0.10000E+01 volume  0.10060E+07 ppm1      9.098 ppm2      8.822
 ASSI {  873}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      3.500     1.500     1.500 peak   873 weight  0.10000E+01 volume  0.48080E+06 ppm1      9.098 ppm2      6.320
 ASSI {  874}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.500     1.500     1.500 peak   874 weight  0.10000E+01 volume  0.51760E+06 ppm1      9.098 ppm2      4.225
 ASSI {  882}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   882 weight  0.10000E+01 volume  0.38560E+07 ppm1      9.062 ppm2      4.837
 ASSI {  883}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak   883 weight  0.10000E+01 volume  0.80830E+06 ppm1      9.062 ppm2      2.155
 ASSI {  884}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.100     1.200     1.200 peak   884 weight  0.10000E+01 volume  0.10000E+07 ppm1      9.062 ppm2     -0.157
 ASSI {  885}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.300     3.300     2.200 peak   885 weight  0.10000E+01 volume  0.77200E+06 ppm1      9.062 ppm2      0.780
 ASSI {  886}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   886 weight  0.10000E+01 volume  0.44550E+06 ppm1      9.062 ppm2      9.432
 ASSI {  887}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
      3.400     1.400     1.400 peak   887 weight  0.10000E+01 volume  0.60040E+06 ppm1      9.062 ppm2      1.799
 OR {  887}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  888}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   888 weight  0.10000E+01 volume  0.40810E+06 ppm1      9.062 ppm2      5.115
 ASSI {  889}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      5.500     3.800     0.000 peak   889 weight  0.10000E+01 volume -0.32260E+06 ppm1      9.062 ppm2      8.925
 ASSI {  905}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   905 weight  0.10000E+01 volume  0.65210E+07 ppm1      8.536 ppm2      5.118
 ASSI {  906}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      2.400     2.400     3.100 peak   906 weight  0.10000E+01 volume  0.48530E+07 ppm1      8.536 ppm2      0.667
 ASSI {  908}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.600     0.800     0.800 peak   908 weight  0.10000E+01 volume  0.28080E+07 ppm1      8.536 ppm2      1.387
 ASSI {  909}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     2.700     2.800 peak   909 weight  0.10000E+01 volume  0.22470E+07 ppm1      8.536 ppm2      1.875
 ASSI {  910}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.300     1.400     1.400 peak   910 weight  0.10000E+01 volume  0.70160E+06 ppm1      8.536 ppm2      4.932
 ASSI {  911}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.000     3.000     2.500 peak   911 weight  0.10000E+01 volume  0.12650E+07 ppm1      8.536 ppm2      0.838
 ASSI {  913}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak   913 weight  0.10000E+01 volume  0.57950E+06 ppm1      8.536 ppm2      8.845
 ASSI {  914}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HD2 ))
      3.300     1.400     1.400 peak   914 weight  0.10000E+01 volume  0.65860E+06 ppm1      8.536 ppm2      2.992
 OR {  914}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HD3 ))
 ASSI {  915}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   915 weight  0.10000E+01 volume  0.92140E+06 ppm1      8.536 ppm2      4.617
 ASSI {  916}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG3 ))
      3.600     1.600     1.600 peak   916 weight  0.10000E+01 volume  0.45700E+06 ppm1      8.536 ppm2      1.272
 ASSI {  917}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.600     1.600     1.600 peak   917 weight  0.10000E+01 volume  0.43020E+06 ppm1      8.536 ppm2      1.556
 ASSI {  919}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.900     1.100     1.100 peak   919 weight  0.10000E+01 volume  0.16350E+07 ppm1      8.534 ppm2      3.750
 OR {  919}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  920}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   920 weight  0.10000E+01 volume  0.11630E+07 ppm1      8.534 ppm2      4.081
 ASSI {  921}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.200     1.300     1.300 peak   921 weight  0.10000E+01 volume  0.93550E+06 ppm1      8.534 ppm2      1.208
 ASSI {  923}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   923 weight  0.10000E+01 volume  0.12850E+07 ppm1      8.534 ppm2      4.265
 ASSI {  924}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.200     0.600     0.600 peak   924 weight  0.10000E+01 volume  0.76530E+07 ppm1      8.554 ppm2      4.490
 ASSI {  927}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.400     0.700     0.700 peak   927 weight  0.10000E+01 volume  0.45860E+07 ppm1      8.524 ppm2      8.140
 ASSI {  928}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HB% )
      2.700     0.900     0.900 peak   928 weight  0.10000E+01 volume  0.23850E+07 ppm1      8.524 ppm2      1.054
 ASSI {  929}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HD1 ))
      2.700     0.900     0.900 peak   929 weight  0.10000E+01 volume  0.26300E+07 ppm1      8.524 ppm2      7.787
 ASSI {  930}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.600     0.800     0.800 peak   930 weight  0.10000E+01 volume  0.27860E+07 ppm1      8.524 ppm2      3.487
 ASSI {  931}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.600     2.600     2.900 peak   931 weight  0.10000E+01 volume  0.30960E+07 ppm1      8.524 ppm2      3.064
 ASSI {  932}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB3 ))
      2.800     1.000     1.000 peak   932 weight  0.10000E+01 volume  0.17740E+07 ppm1      8.524 ppm2      2.747
 ASSI {  933}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 104  and name HD1%)
      2.800     2.800     2.700 peak   933 weight  0.10000E+01 volume  0.17770E+07 ppm1      8.524 ppm2      0.720
 ASSI {  934}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak   934 weight  0.10000E+01 volume  0.10570E+07 ppm1      8.524 ppm2      3.755
 ASSI {  935}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.300     1.400     1.400 peak   935 weight  0.10000E+01 volume  0.70900E+06 ppm1      8.524 ppm2      7.586
 ASSI {  936}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      3.200     3.200     2.300 peak   936 weight  0.10000E+01 volume  0.84700E+06 ppm1      8.524 ppm2      1.737
 ASSI {  938}
   (( segid "    " and resid 116  and name HN  ))
   (  segid "    " and resid 116  and name HB% )
      2.300     0.700     0.700 peak   938 weight  0.10000E+01 volume  0.70050E+07 ppm1      7.579 ppm2      1.293
 ASSI {  939}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.500     0.800     0.800 peak   939 weight  0.10000E+01 volume  0.37240E+07 ppm1      7.579 ppm2      4.098
 ASSI {  941}
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HA  ))
      2.900     1.100     1.100 peak   941 weight  0.10000E+01 volume  0.13930E+07 ppm1      7.579 ppm2      3.976
 ASSI {  942}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.900     2.900     2.600 peak   942 weight  0.10000E+01 volume  0.16900E+07 ppm1      8.912 ppm2      1.499
 ASSI {  943}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.800     1.000     1.000 peak   943 weight  0.10000E+01 volume  0.17600E+07 ppm1      8.912 ppm2      1.851
 OR {  943}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  945}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   945 weight  0.10000E+01 volume  0.18690E+07 ppm1      8.912 ppm2      4.919
 ASSI {  946}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 27   and name HD2%)
      3.600     1.600     1.600 peak   946 weight  0.10000E+01 volume  0.40670E+06 ppm1      8.912 ppm2      0.688
 OR {  946}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 27   and name HD1%)
 ASSI {  947}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.500     1.500     1.500 peak   947 weight  0.10000E+01 volume  0.49630E+06 ppm1      8.912 ppm2      2.673
 ASSI {  948}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      4.600     2.600     0.900 peak   948 weight  0.10000E+01 volume  0.94280E+05 ppm1      8.912 ppm2      2.166
 ASSI {  952}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.500     0.800     0.800 peak   952 weight  0.10000E+01 volume  0.35310E+07 ppm1      7.504 ppm2      2.562
 ASSI {  953}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      2.700     0.900     0.900 peak   953 weight  0.10000E+01 volume  0.22330E+07 ppm1      7.504 ppm2      6.903
 ASSI {  954}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   954 weight  0.10000E+01 volume  0.19760E+07 ppm1      7.504 ppm2      4.328
 ASSI {  956}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   956 weight  0.10000E+01 volume  0.21930E+07 ppm1      7.504 ppm2      4.637
 ASSI {  957}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.000     1.100     1.100 peak   957 weight  0.10000E+01 volume  0.12520E+07 ppm1      7.504 ppm2      2.348
 ASSI {  959}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.200     3.200     2.300 peak   959 weight  0.10000E+01 volume  0.89170E+06 ppm1      7.504 ppm2      0.580
 OR {  959}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
 ASSI {  960}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
      3.000     1.100     1.100 peak   960 weight  0.10000E+01 volume  0.13120E+07 ppm1      7.504 ppm2      1.808
 OR {  960}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI {  961}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
      3.600     1.600     1.600 peak   961 weight  0.10000E+01 volume  0.40010E+06 ppm1      7.504 ppm2      3.454
 ASSI {  963}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      3.500     3.500     2.000 peak   963 weight  0.10000E+01 volume  0.49710E+06 ppm1      7.504 ppm2      0.700
 ASSI {  969}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.500     0.800     0.800 peak   969 weight  0.10000E+01 volume  0.38620E+07 ppm1      7.489 ppm2      3.824
 ASSI {  970}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      2.700     2.700     2.800 peak   970 weight  0.10000E+01 volume  0.22670E+07 ppm1      7.489 ppm2      0.744
 ASSI {  971}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      2.900     1.100     1.100 peak   971 weight  0.10000E+01 volume  0.16180E+07 ppm1      7.489 ppm2      2.456
 ASSI {  972}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.400     0.700     0.700 peak   972 weight  0.10000E+01 volume  0.43740E+07 ppm1      7.489 ppm2      4.629
 ASSI {  974}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.400     1.400     1.400 peak   974 weight  0.10000E+01 volume  0.60170E+06 ppm1      7.489 ppm2      9.069
 ASSI {  975}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak   975 weight  0.10000E+01 volume  0.72180E+06 ppm1      7.489 ppm2      7.720
 ASSI {  977}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.900     1.900     1.600 peak   977 weight  0.10000E+01 volume  0.27600E+06 ppm1      7.489 ppm2      1.828
 ASSI {  983}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB  ))
      2.900     1.100     1.100 peak   983 weight  0.10000E+01 volume  0.14620E+07 ppm1      8.798 ppm2      4.247
 ASSI {  984}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   984 weight  0.10000E+01 volume  0.12700E+07 ppm1      8.798 ppm2      5.540
 ASSI {  986}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      3.300     1.400     1.400 peak   986 weight  0.10000E+01 volume  0.77330E+06 ppm1      8.798 ppm2      2.666
 OR {  986}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG3 ))
 ASSI {  987}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     1.400     1.400 peak   987 weight  0.10000E+01 volume  0.73050E+06 ppm1      8.798 ppm2      2.015
 ASSI {  988}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.200     1.300     1.300 peak   988 weight  0.10000E+01 volume  0.81450E+06 ppm1      8.798 ppm2      1.047
 ASSI {  990}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 51   and name HD% )
      3.400     1.400     1.400 peak   990 weight  0.10000E+01 volume  0.64440E+06 ppm1      8.798 ppm2      6.847
 ASSI {  991}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      4.100     2.100     1.400 peak   991 weight  0.10000E+01 volume  0.19040E+06 ppm1      8.798 ppm2      1.862
 ASSI {  994}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   994 weight  0.10000E+01 volume  0.34040E+07 ppm1      8.410 ppm2      4.635
 ASSI {  995}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.200     1.300     1.300 peak   995 weight  0.10000E+01 volume  0.87070E+06 ppm1      8.410 ppm2      2.619
 ASSI {  997}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.300     1.400     1.400 peak   997 weight  0.10000E+01 volume  0.67270E+06 ppm1      8.410 ppm2      6.728
 ASSI {  998}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HG2%)
      3.800     1.800     1.700 peak   998 weight  0.10000E+01 volume  0.31790E+06 ppm1      8.410 ppm2      1.043
 ASSI { 1001}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 62   and name HD% )
      4.400     2.400     1.100 peak  1001 weight  0.10000E+01 volume  0.12270E+06 ppm1      8.555 ppm2      6.928
 ASSI { 1002}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      5.500     3.800     0.000 peak  1002 weight  0.10000E+01 volume -0.36450E+07 ppm1      9.409 ppm2      1.557
 ASSI { 1004}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.800     0.800 peak  1004 weight  0.10000E+01 volume  0.28790E+07 ppm1      8.699 ppm2      4.540
 ASSI { 1005}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      3.000     1.100     1.100 peak  1005 weight  0.10000E+01 volume  0.11720E+07 ppm1      8.699 ppm2      1.569
 ASSI { 1006}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak  1006 weight  0.10000E+01 volume  0.10220E+07 ppm1      8.699 ppm2      8.382
 ASSI { 1007}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HG1%)
      3.300     1.400     1.400 peak  1007 weight  0.10000E+01 volume  0.67400E+06 ppm1      8.699 ppm2      0.491
 ASSI { 1008}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.100     2.100     1.400 peak  1008 weight  0.10000E+01 volume  0.19360E+06 ppm1      8.699 ppm2      4.638
 ASSI { 1009}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 19   and name HZ2 ))
      2.100     2.100     3.400 peak  1009 weight  0.10000E+01 volume  0.10100E+08 ppm1     10.096 ppm2      7.226
 ASSI { 1014}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 19   and name HH2 ))
      3.000     3.000     2.500 peak  1014 weight  0.10000E+01 volume  0.12130E+07 ppm1     10.096 ppm2      6.739
 ASSI { 1015}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak  1015 weight  0.10000E+01 volume  0.87680E+06 ppm1     10.096 ppm2      0.624
 ASSI { 1016}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 25   and name HB3 ))
      3.300     3.300     2.200 peak  1016 weight  0.10000E+01 volume  0.73800E+06 ppm1     10.096 ppm2     -0.400
 ASSI { 1017}
   (( segid "    " and resid 19   and name HE1 ))
   (( segid "    " and resid 19   and name HB2 ))
      4.200     2.200     1.300 peak  1017 weight  0.10000E+01 volume  0.16430E+06 ppm1     10.096 ppm2      3.151
 ASSI { 1030}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     3.000     2.500 peak  1030 weight  0.10000E+01 volume  0.13800E+07 ppm1     12.009 ppm2      4.547
 ASSI { 1032}
   (( segid "    " and resid 103  and name HE1 ))
   (( segid "    " and resid 103  and name HD1 ))
      3.000     1.100     1.100 peak  1032 weight  0.10000E+01 volume  0.11800E+07 ppm1     12.009 ppm2      7.793
 ASSI { 1037}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD% )
      5.500     3.800     0.000 peak  1037 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.706 ppm2      6.333
 ASSI { 1038}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HD1%)
      5.500     3.800     0.000 peak  1038 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.536 ppm2      0.935
 ASSI { 1040}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      5.500     3.800     0.000 peak  1040 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.489 ppm2      3.585
 ASSI {   12}
   (  segid "    " and resid 114  and name HD% )
   (  segid "    " and resid 114  and name HE% )
      2.400     0.700     0.700 peak    12 weight  0.10000E+01 volume  0.45410E+06 ppm1      6.973 ppm2      6.204
 ASSI {   54}
   (  segid "    " and resid 33   and name HE% )
   (  segid "    " and resid 33   and name HD% )
      1.700     0.400     0.500 peak    54 weight  0.10000E+01 volume  0.43750E+07 ppm1      6.834 ppm2      6.830
 ASSI {   57}
   (  segid "    " and resid 93   and name HD% )
   (  segid "    " and resid 93   and name HE% )
      5.500     3.800     0.000 peak    57 weight  0.10000E+01 volume -0.22080E+06 ppm1      7.115 ppm2      7.222
 ASSI {   65}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 31   and name HE% )
      1.900     0.500     0.500 peak    65 weight  0.10000E+01 volume  0.20630E+07 ppm1      6.833 ppm2      6.953
 ASSI {   73}
   (  segid "    " and resid 86   and name HD% )
   (  segid "    " and resid 86   and name HE% )
      2.200     0.600     0.600 peak    73 weight  0.10000E+01 volume  0.75820E+06 ppm1      6.711 ppm2      6.120
 ASSI {   77}
   (( segid "    " and resid 103  and name HH2 ))
   (( segid "    " and resid 103  and name HZ2 ))
      2.300     0.700     0.700 peak    77 weight  0.10000E+01 volume  0.64730E+06 ppm1      6.329 ppm2      5.832
 ASSI {   81}
   (  segid "    " and resid 51   and name HE% )
   (  segid "    " and resid 54   and name HE% )
      1.900     1.900     3.600 peak    81 weight  0.10000E+01 volume  0.17490E+07 ppm1      6.613 ppm2      6.973
 ASSI {   84}
   (  segid "    " and resid 51   and name HD% )
   (  segid "    " and resid 51   and name HE% )
      2.700     0.900     0.900 peak    84 weight  0.10000E+01 volume  0.22550E+06 ppm1      6.871 ppm2      6.622
 ASSI {  221}
   (( segid "    " and resid 99   and name HB  ))
   (( segid "    " and resid 103  and name HD1 ))
      3.600     1.600     1.600 peak   221 weight  0.10000E+01 volume  0.41150E+05 ppm1      1.759 ppm2      7.786
 ASSI {  223}
   (( segid "    " and resid 113  and name HG3 ))
   (( segid "    " and resid 113  and name HN  ))
      3.200     1.300     1.300 peak   223 weight  0.10000E+01 volume  0.88080E+05 ppm1      1.384 ppm2      7.782
 OR {  223}
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI {  229}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HD1 ))
      2.800     1.000     1.000 peak   229 weight  0.10000E+01 volume  0.18000E+06 ppm1      3.476 ppm2      7.791
 ASSI {  245}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 19   and name HE3 ))
      2.700     2.700     2.800 peak   245 weight  0.10000E+01 volume  0.21190E+06 ppm1      1.632 ppm2      7.543
 ASSI {  250}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 19   and name HE3 ))
      3.000     1.100     1.100 peak   250 weight  0.10000E+01 volume  0.11180E+06 ppm1      1.374 ppm2      7.540
 ASSI {  261}
   (( segid "    " and resid 19   and name HZ3 ))
   (( segid "    " and resid 19   and name HE3 ))
      2.500     0.800     0.800 peak   261 weight  0.10000E+01 volume  0.37830E+06 ppm1      6.668 ppm2      7.541
 ASSI {  262}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HE3 ))
      3.100     1.200     1.200 peak   262 weight  0.10000E+01 volume  0.10090E+06 ppm1      4.840 ppm2      7.540
 ASSI {  264}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HE3 ))
      2.800     1.000     1.000 peak   264 weight  0.10000E+01 volume  0.17930E+06 ppm1      3.146 ppm2      7.543
 ASSI {  270}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     2.900     2.600 peak   270 weight  0.10000E+01 volume  0.14600E+06 ppm1      4.534 ppm2      7.460
 ASSI {  294}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD1 ))
      2.600     2.600     2.900 peak   294 weight  0.10000E+01 volume  0.29320E+06 ppm1      3.180 ppm2      7.243
 ASSI {  301}
   (( segid "    " and resid 19   and name HH2 ))
   (( segid "    " and resid 19   and name HZ2 ))
      2.200     0.600     0.600 peak   301 weight  0.10000E+01 volume  0.70820E+06 ppm1      6.773 ppm2      7.209
 ASSI {  314}
   (( segid "    " and resid 103  and name HH2 ))
   (( segid "    " and resid 103  and name HE3 ))
      2.400     2.400     3.100 peak   314 weight  0.10000E+01 volume  0.48590E+06 ppm1      6.334 ppm2      7.006
 ASSI {  317}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 103  and name HE3 ))
      3.600     1.600     1.600 peak   317 weight  0.10000E+01 volume  0.42620E+05 ppm1      0.078 ppm2      7.008
 ASSI {  318}
   (( segid "    " and resid 103  and name HZ3 ))
   (( segid "    " and resid 103  and name HE3 ))
      2.700     0.900     0.900 peak   318 weight  0.10000E+01 volume  0.22720E+06 ppm1      6.459 ppm2      6.997
 ASSI {  320}
   (  segid "    " and resid 40   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
      3.200     3.200     2.300 peak   320 weight  0.10000E+01 volume  0.88470E+05 ppm1      1.035 ppm2      6.971
 ASSI {  338}
   (  segid "    " and resid 95   and name HG2%)
   (  segid "    " and resid 98   and name HD% )
      2.600     2.600     2.900 peak   338 weight  0.10000E+01 volume  0.27860E+06 ppm1      0.938 ppm2      6.911
 ASSI {  345}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
      2.600     0.800     0.800 peak   345 weight  0.10000E+01 volume  0.31720E+06 ppm1      2.562 ppm2      6.902
 ASSI {  350}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.500     0.800     0.800 peak   350 weight  0.10000E+01 volume  0.36390E+06 ppm1      3.803 ppm2      6.908
 ASSI {  355}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.800     1.000     1.000 peak   355 weight  0.10000E+01 volume  0.20220E+06 ppm1      4.660 ppm2      6.904
 ASSI {  357}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      2.600     0.800     0.800 peak   357 weight  0.10000E+01 volume  0.30510E+06 ppm1      1.308 ppm2      6.917
 ASSI {  358}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 62   and name HD% )
      3.300     1.400     1.400 peak   358 weight  0.10000E+01 volume  0.71170E+05 ppm1     -0.191 ppm2      6.905
 ASSI {  360}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 62   and name HD% )
      2.700     2.700     2.800 peak   360 weight  0.10000E+01 volume  0.23960E+06 ppm1      4.902 ppm2      6.911
 ASSI {  362}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 62   and name HD% )
      2.700     0.900     0.900 peak   362 weight  0.10000E+01 volume  0.24340E+06 ppm1      1.592 ppm2      6.913
 ASSI {  365}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      3.300     1.400     1.400 peak   365 weight  0.10000E+01 volume  0.71210E+05 ppm1      2.170 ppm2      6.841
 ASSI {  367}
   (( segid "    " and resid 33   and name HB3 ))
   (  segid "    " and resid 33   and name HD% )
      2.400     0.700     0.700 peak   367 weight  0.10000E+01 volume  0.46040E+06 ppm1      2.608 ppm2      6.850
 ASSI {  376}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 33   and name HD% )
      2.600     0.800     0.800 peak   376 weight  0.10000E+01 volume  0.30860E+06 ppm1      3.192 ppm2      6.837
 ASSI {  377}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD% )
      2.800     1.000     1.000 peak   377 weight  0.10000E+01 volume  0.18530E+06 ppm1      2.863 ppm2      6.833
 ASSI {  379}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD% )
      2.800     1.000     1.000 peak   379 weight  0.10000E+01 volume  0.16740E+06 ppm1      4.744 ppm2      6.834
 ASSI {  396}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
      2.800     2.800     2.700 peak   396 weight  0.10000E+01 volume  0.18580E+06 ppm1      1.905 ppm2      6.763
 ASSI {  408}
   (  segid "    " and resid 27   and name HD2%)
   (  segid "    " and resid 29   and name HD% )
      2.900     1.100     1.100 peak   408 weight  0.10000E+01 volume  0.15130E+06 ppm1      0.616 ppm2      6.734
 ASSI {  425}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 39   and name HE% )
      2.600     0.800     0.800 peak   425 weight  0.10000E+01 volume  0.25990E+06 ppm1      1.959 ppm2      6.623
 OR {  425}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 39   and name HE% )
 ASSI {  429}
   (  segid "    " and resid 57   and name HG2%)
   (  segid "    " and resid 39   and name HE% )
      2.400     2.400     3.100 peak   429 weight  0.10000E+01 volume  0.41140E+06 ppm1      0.594 ppm2      6.615
 ASSI {  432}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HD2 ))
      2.900     1.100     1.100 peak   432 weight  0.10000E+01 volume  0.16000E+06 ppm1      2.484 ppm2      6.551
 ASSI {  444}
   (( segid "    " and resid 103  and name HH2 ))
   (( segid "    " and resid 103  and name HZ3 ))
      5.500     3.800     0.000 peak   444 weight  0.10000E+01 volume -0.17650E+06 ppm1      6.311 ppm2      6.445
 ASSI {  445}
   (  segid "    " and resid 32   and name HD1%)
   (( segid "    " and resid 103  and name HZ3 ))
      2.600     0.800     0.800 peak   445 weight  0.10000E+01 volume  0.32080E+06 ppm1      0.056 ppm2      6.442
 OR {  445}
   (  segid "    " and resid 32   and name HD2%)
   (( segid "    " and resid 103  and name HZ3 ))
 ASSI {  455}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 16   and name HD% )
      3.100     1.200     1.200 peak   455 weight  0.10000E+01 volume  0.10860E+06 ppm1     -0.803 ppm2      6.319
 ASSI {  458}
   (  segid "    " and resid 30   and name HG2%)
   (  segid "    " and resid 16   and name HD% )
      2.700     2.700     2.800 peak   458 weight  0.10000E+01 volume  0.23130E+06 ppm1      0.061 ppm2      6.318
 ASSI {  468}
   (( segid "    " and resid 86   and name HZ  ))
   (  segid "    " and resid 86   and name HD% )
      2.800     1.000     1.000 peak   468 weight  0.10000E+01 volume  0.18590E+06 ppm1      5.744 ppm2      6.712
 ASSI {  469}
   (  segid "    " and resid 88   and name HG2%)
   (  segid "    " and resid 86   and name HE% )
      2.600     0.800     0.800 peak   469 weight  0.10000E+01 volume  0.31550E+06 ppm1      0.584 ppm2      6.121
 ASSI {  470}
   (  segid "    " and resid 57   and name HD1%)
   (  segid "    " and resid 86   and name HD% )
      2.800     1.000     1.000 peak   470 weight  0.10000E+01 volume  0.19570E+06 ppm1     -0.177 ppm2      6.123
 ASSI {  472}
   (  segid "    " and resid 30   and name HG1%)
   (  segid "    " and resid 86   and name HE% )
      2.800     1.000     1.000 peak   472 weight  0.10000E+01 volume  0.17610E+06 ppm1      0.469 ppm2      6.122
 ASSI {  481}
   (  segid "    " and resid 99   and name HG2%)
   (( segid "    " and resid 103  and name HZ2 ))
      2.800     2.800     2.700 peak   481 weight  0.10000E+01 volume  0.19660E+06 ppm1      0.481 ppm2      5.829
 ASSI {  482}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 86   and name HZ  ))
      2.900     1.100     1.100 peak   482 weight  0.10000E+01 volume  0.13510E+06 ppm1      6.624 ppm2      5.734
 ASSI {  484}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   484 weight  0.10000E+01 volume  0.47470E+06 ppm1      2.662 ppm2      5.739
 ASSI {  486}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 86   and name HZ  ))
      2.500     2.500     3.000 peak   486 weight  0.10000E+01 volume  0.34220E+06 ppm1      0.584 ppm2      5.719
 ASSI { 1184}
   (  segid "    " and resid 54   and name HE% )
   (  segid "    " and resid 54   and name HD% )
      2.100     0.600     0.600 peak  1184 weight  0.10000E+01 volume  0.11660E+07 ppm1      6.956 ppm2      6.662
 ASSI { 1195}
   (  segid "    " and resid 31   and name HE% )
   (  segid "    " and resid 29   and name HD% )
      2.200     2.200     3.300 peak  1195 weight  0.10000E+01 volume  0.77040E+06 ppm1      6.924 ppm2      6.634
 ASSI { 1200}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HE3 ))
      3.300     1.400     1.400 peak  1200 weight  0.10000E+01 volume  0.74390E+05 ppm1      3.090 ppm2      7.003
 ASSI { 1242}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HE3 ))
      3.900     1.900     1.600 peak  1242 weight  0.10000E+01 volume  0.23540E+05 ppm1      3.488 ppm2      7.010
 ASSI { 1243}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      2.900     1.100     1.100 peak  1243 weight  0.10000E+01 volume  0.13790E+06 ppm1      3.433 ppm2      6.325
 ASSI { 1245}
   (( segid "    " and resid 103  and name HZ2 ))
   (( segid "    " and resid 103  and name HE3 ))
      2.900     2.900     2.600 peak  1245 weight  0.10000E+01 volume  0.14990E+06 ppm1      5.841 ppm2      6.999
 ASSI { 1252}
   (  segid "    " and resid 64   and name HD1%)
   (  segid "    " and resid 62   and name HE% )
      2.600     0.800     0.800 peak  1252 weight  0.10000E+01 volume  0.27970E+06 ppm1      0.944 ppm2      6.672
 ASSI { 1256}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD1 ))
      3.300     1.400     1.400 peak  1256 weight  0.10000E+01 volume  0.72080E+05 ppm1      4.334 ppm2      7.244
 ASSI { 1261}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 19   and name HE3 ))
      3.100     3.100     2.400 peak  1261 weight  0.10000E+01 volume  0.93430E+05 ppm1      5.940 ppm2      7.544
 ASSI { 1264}
   (( segid "    " and resid 19   and name HH2 ))
   (( segid "    " and resid 19   and name HE3 ))
      3.200     1.300     1.300 peak  1264 weight  0.10000E+01 volume  0.76960E+05 ppm1      6.726 ppm2      7.536
 ASSI { 1273}
   (( segid "    " and resid 86   and name HZ  ))
   (  segid "    " and resid 86   and name HE% )
      2.400     0.700     0.700 peak  1273 weight  0.10000E+01 volume  0.44460E+06 ppm1      5.735 ppm2      6.119
 ASSI { 1276}
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 98   and name HD% )
      3.400     1.400     1.400 peak  1276 weight  0.10000E+01 volume  0.58690E+05 ppm1      1.973 ppm2      6.915
 ASSI { 1285}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 51   and name HD% )
      2.700     0.900     0.900 peak  1285 weight  0.10000E+01 volume  0.20480E+06 ppm1      2.552 ppm2      6.832
 ASSI { 1296}
   (( segid "    " and resid 39   and name HB2 ))
   (  segid "    " and resid 39   and name HD% )
      3.500     1.500     1.500 peak  1296 weight  0.10000E+01 volume  0.50020E+05 ppm1      3.169 ppm2      6.698
 ASSI { 1297}
   (( segid "    " and resid 19   and name HZ3 ))
   (( segid "    " and resid 19   and name HZ2 ))
      5.500     3.800     0.000 peak  1297 weight  0.10000E+01 volume -0.14290E+05 ppm1      6.646 ppm2      7.216
 ASSI { 1300}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 19   and name HD1 ))
      3.500     1.500     1.500 peak  1300 weight  0.10000E+01 volume  0.50650E+05 ppm1      0.642 ppm2      7.246
 ASSI { 1302}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
      2.500     0.800     0.800 peak  1302 weight  0.10000E+01 volume  0.38200E+06 ppm1      4.588 ppm2      6.321
 ASSI { 1303}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 103  and name HZ2 ))
      2.500     2.500     3.000 peak  1303 weight  0.10000E+01 volume  0.35550E+06 ppm1      4.567 ppm2      5.833
 ASSI { 1304}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 103  and name HZ2 ))
      3.000     1.100     1.100 peak  1304 weight  0.10000E+01 volume  0.11910E+06 ppm1      2.111 ppm2      5.840
 ASSI { 1305}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 103  and name HZ2 ))
      3.300     1.400     1.400 peak  1305 weight  0.10000E+01 volume  0.68790E+05 ppm1      1.847 ppm2      5.830
 ASSI { 1306}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 103  and name HZ2 ))
      3.500     3.500     2.000 peak  1306 weight  0.10000E+01 volume  0.48630E+05 ppm1      1.600 ppm2      5.828
 ASSI { 1308}
   (( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 103  and name HD1 ))
      3.400     1.400     1.400 peak  1308 weight  0.10000E+01 volume  0.59660E+05 ppm1      3.076 ppm2      7.786
 ASSI { 1311}
   (( segid "    " and resid 103  and name HB3 ))
   (( segid "    " and resid 103  and name HD1 ))
      3.400     1.400     1.400 peak  1311 weight  0.10000E+01 volume  0.54350E+05 ppm1      2.748 ppm2      7.802
 ASSI { 1312}
   (( segid "    " and resid 119  and name HB3 ))
   (( segid "    " and resid 118  and name HN  ))
      3.500     1.500     1.500 peak  1312 weight  0.10000E+01 volume  0.44230E+05 ppm1      2.368 ppm2      7.783
 ASSI { 1315}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 16   and name HD% )
      3.100     1.200     1.200 peak  1315 weight  0.10000E+01 volume  0.10940E+06 ppm1      1.316 ppm2      6.331
 ASSI { 1322}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 16   and name HE% )
      2.700     2.700     2.800 peak  1322 weight  0.10000E+01 volume  0.21070E+06 ppm1     -0.798 ppm2      5.826
 ASSI { 1324}
   (  segid "    " and resid 76   and name HD2%)
   (( segid "    " and resid 86   and name HZ  ))
      3.200     1.300     1.300 peak  1324 weight  0.10000E+01 volume  0.75620E+05 ppm1      0.404 ppm2      5.717
 ASSI { 1326}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 93   and name HD% )
      3.300     1.400     1.400 peak  1326 weight  0.10000E+01 volume  0.64320E+05 ppm1      4.151 ppm2      7.115
 ASSI { 1327}
   (( segid "    " and resid 96   and name HB2 ))
   (  segid "    " and resid 93   and name HD% )
      3.000     1.100     1.100 peak  1327 weight  0.10000E+01 volume  0.12400E+06 ppm1      3.739 ppm2      7.109
 ASSI { 1333}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 33   and name HD% )
      4.200     2.200     1.300 peak  1333 weight  0.10000E+01 volume  0.15070E+05 ppm1      1.367 ppm2      6.828
 ASSI { 1335}
   (( segid "    " and resid 31   and name HZ  ))
   (  segid "    " and resid 29   and name HD% )
      2.700     0.900     0.900 peak  1335 weight  0.10000E+01 volume  0.25080E+06 ppm1      5.876 ppm2      6.739
 ASSI { 1339}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 39   and name HD% )
      3.400     1.400     1.400 peak  1339 weight  0.10000E+01 volume  0.61440E+05 ppm1      2.568 ppm2      6.687
 ASSI { 1341}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.200     1.300     1.300 peak  1341 weight  0.10000E+01 volume  0.78720E+05 ppm1      4.059 ppm2      6.559
 ASSI { 1342}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 67   and name HD2 ))
      3.400     1.400     1.400 peak  1342 weight  0.10000E+01 volume  0.62210E+05 ppm1      3.836 ppm2      6.551
 ASSI { 1343}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.200     1.300     1.300 peak  1343 weight  0.10000E+01 volume  0.84910E+05 ppm1      3.555 ppm2      6.567
 ASSI { 1344}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 103  and name HZ2 ))
      3.400     1.400     1.400 peak  1344 weight  0.10000E+01 volume  0.62460E+05 ppm1      0.716 ppm2      5.834
 ASSI { 1345}
   (  segid "    " and resid 30   and name HG1%)
   (  segid "    " and resid 86   and name HD% )
      3.100     3.100     2.400 peak  1345 weight  0.10000E+01 volume  0.10590E+06 ppm1      0.049 ppm2      6.121
 OR { 1345}
   (  segid "    " and resid 30   and name HG2%)
   (  segid "    " and resid 86   and name HD% )
 ASSI { 1347}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 103  and name HZ3 ))
      3.300     1.400     1.400 peak  1347 weight  0.10000E+01 volume  0.72160E+05 ppm1      0.813 ppm2      6.442
 ASSI { 1348}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 103  and name HH2 ))
      3.000     3.000     2.500 peak  1348 weight  0.10000E+01 volume  0.11250E+06 ppm1      0.992 ppm2      6.321
 ASSI { 1349}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 19   and name HE3 ))
      3.600     1.600     1.600 peak  1349 weight  0.10000E+01 volume  0.40210E+05 ppm1      1.861 ppm2      7.541
 ASSI { 1354}
   (( segid "    " and resid 76   and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
      2.900     1.100     1.100 peak  1354 weight  0.10000E+01 volume  0.15290E+06 ppm1      1.282 ppm2      6.643
 ASSI { 1356}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 62   and name HE% )
      3.200     3.200     2.300 peak  1356 weight  0.10000E+01 volume  0.84910E+05 ppm1      1.635 ppm2      6.644
 ASSI { 1359}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 31   and name HZ  ))
      2.900     2.900     2.600 peak  1359 weight  0.10000E+01 volume  0.14940E+06 ppm1      6.750 ppm2      5.875
 ASSI { 1363}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 103  and name HZ3 ))
      2.900     2.900     2.600 peak  1363 weight  0.10000E+01 volume  0.15490E+06 ppm1      4.918 ppm2      6.447
 ASSI { 1365}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 39   and name HD% )
      3.400     1.400     1.400 peak  1365 weight  0.10000E+01 volume  0.53120E+05 ppm1      5.013 ppm2      6.687
 ASSI { 1366}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak  1366 weight  0.10000E+01 volume  0.49120E+06 ppm1      5.030 ppm2      5.566
 ASSI { 1370}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak  1370 weight  0.10000E+01 volume  0.21410E+06 ppm1      4.413 ppm2      5.740
 ASSI { 1375}
   (( segid "    " and resid 32   and name HG  ))
   (( segid "    " and resid 103  and name HH2 ))
      2.800     1.000     1.000 peak  1375 weight  0.10000E+01 volume  0.16770E+06 ppm1      0.721 ppm2      6.309
 ASSI { 1377}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 54   and name HE% )
      2.600     2.600     2.900 peak  1377 weight  0.10000E+01 volume  0.29410E+06 ppm1      2.789 ppm2      6.967
 ASSI { 1378}
   (( segid "    " and resid 39   and name HB3 ))
   (  segid "    " and resid 31   and name HD% )
      2.600     2.600     2.900 peak  1378 weight  0.10000E+01 volume  0.29070E+06 ppm1      2.575 ppm2      6.951
 ASSI { 1379}
   (  segid "    " and resid 86   and name HE% )
   (  segid "    " and resid 39   and name HD% )
      2.100     2.100     3.400 peak  1379 weight  0.10000E+01 volume  0.11440E+07 ppm1      6.134 ppm2      6.696
 ASSI { 1383}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 33   and name HE% )
      3.200     1.300     1.300 peak  1383 weight  0.10000E+01 volume  0.84560E+05 ppm1      1.941 ppm2      6.809
 ASSI { 1386}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 19   and name HD1 ))
      3.300     3.300     2.200 peak  1386 weight  0.10000E+01 volume  0.65790E+05 ppm1     -0.440 ppm2      7.243
 ASSI { 1388}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.600     1.600     1.600 peak  1388 weight  0.10000E+01 volume  0.40150E+05 ppm1      2.005 ppm2      6.316
 ASSI { 1389}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.500     1.500     1.500 peak  1389 weight  0.10000E+01 volume  0.48160E+05 ppm1      1.557 ppm2      6.327
 ASSI { 1390}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 103  and name HE3 ))
      3.000     3.000     2.500 peak  1390 weight  0.10000E+01 volume  0.11290E+06 ppm1      2.111 ppm2      6.991
 ASSI { 1395}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HD% )
      2.600     0.800     0.800 peak  1395 weight  0.10000E+01 volume  0.31040E+06 ppm1      4.547 ppm2      6.665
 ASSI { 1401}
   (( segid "    " and resid 33   and name HZ  ))
   (  segid "    " and resid 33   and name HD% )
      5.500     3.800     0.000 peak  1401 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.480 ppm2      6.830

!!! ambiguous restraints


 ASSI {  143}
   (( segid "    " and resid 110  and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.200     1.200 peak   143 weight  0.10000E+01 volume  0.13850E+06 ppm1      1.947 ppm2      0.711
 OR {  143}
   (( segid "    " and resid 110  and name HB3 ))
   (  segid "    " and resid 107  and name HG2%)
 OR {  143}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 59   and name HG  ))
 OR {  143}
   (( segid "    " and resid 111  and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
 OR {  143}
   (( segid "    " and resid 112  and name HB3 ))
   (( segid "    " and resid 59   and name HG  ))
 ASSI {  382}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 79   and name HB3 ))
      2.200     2.200     3.300 peak   382 weight  0.10000E+01 volume  0.97890E+06 ppm1      2.558 ppm2      1.856
 OR {  382}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 79   and name HB3 ))
 OR {  382}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI {  700}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 89   and name HE2 ))
      2.700     2.700     2.800 peak   700 weight  0.10000E+01 volume  0.28680E+06 ppm1      1.785 ppm2      2.568
 OR {  700}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  700}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 89   and name HE3 ))
 ASSI {  729}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 16   and name HD% )
      2.600     0.800     0.800 peak   729 weight  0.10000E+01 volume  0.41360E+06 ppm1      1.563 ppm2      6.321
 OR {  729}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 103  and name HH2 ))
 ASSI { 1211}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 27   and name HD1%)
      2.700     0.900     0.900 peak  1211 weight  0.10000E+01 volume  0.33840E+06 ppm1      4.602 ppm2      0.674
 OR { 1211}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1402}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 107  and name HG12))
      1.200     1.200     4.300 peak  1402 weight  0.10000E+01 volume  0.39610E+08 ppm1      1.873 ppm2      1.871
 OR { 1402}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 107  and name HG12))
 OR { 1402}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 107  and name HG13))
 OR { 1402}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 107  and name HG13))
 OR { 1402}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
 ASSI { 1441}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.900     2.900     2.600 peak  1441 weight  0.10000E+01 volume  0.20210E+06 ppm1      0.614 ppm2      1.797
 OR { 1441}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 18   and name HB  ))
 OR { 1441}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI { 1485}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 87   and name HD3 ))
      2.800     2.800     2.700 peak  1485 weight  0.10000E+01 volume  0.24750E+06 ppm1      4.444 ppm2      2.673
 OR { 1485}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 87   and name HD2 ))
 OR { 1485}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 41   and name HG2 ))
 ASSI { 1560}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      1.900     1.900     3.600 peak  1560 weight  0.10000E+01 volume  0.23110E+07 ppm1      0.974 ppm2      3.934
 OR { 1560}
   (  segid "    " and resid 69   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  195}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.400     1.400     1.400 peak   195 weight  0.10000E+01 volume  0.55920E+06 ppm1      8.296 ppm2      2.560
 OR {  195}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  195}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 77   and name HG2 ))
 OR {  195}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI {  197}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      4.700     2.800     0.800 peak   197 weight  0.10000E+01 volume  0.82690E+05 ppm1      8.296 ppm2      1.352
 OR {  197}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 61   and name HG3 ))
 ASSI {  209}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 31   and name HE% )
      3.000     3.000     2.500 peak   209 weight  0.10000E+01 volume  0.12490E+07 ppm1      8.356 ppm2      6.966
 OR {  209}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
 ASSI {  383}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.900     1.100     1.100 peak   383 weight  0.10000E+01 volume  0.15460E+07 ppm1      8.874 ppm2      1.373
 OR {  383}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 64   and name HG13))
 ASSI {  449}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.300     1.400     1.400 peak   449 weight  0.10000E+01 volume  0.68880E+06 ppm1      7.624 ppm2      6.315
 OR {  449}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 103  and name HH2 ))
 ASSI {  230}
   (  segid "    " and resid 102  and name HB% )
   (( segid "    " and resid 103  and name HD1 ))
      2.900     1.100     1.100 peak   230 weight  0.10000E+01 volume  0.13970E+06 ppm1      1.062 ppm2      7.793
 OR {  230}
   (( segid "    " and resid 12   and name HG3 ))
   (( segid "    " and resid 103  and name HD1 ))
 ASSI {  340}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 31   and name HE% )
      2.900     1.100     1.100 peak   340 weight  0.10000E+01 volume  0.14810E+06 ppm1      2.154 ppm2      6.956
 OR {  340}
   (( segid "    " and resid 111  and name HB2 ))
   (  segid "    " and resid 114  and name HD% )
 ASSI {  351}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
      2.200     2.200     3.300 peak   351 weight  0.10000E+01 volume  0.71190E+06 ppm1      1.825 ppm2      6.914
 OR {  351}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 62   and name HD% )
 OR {  351}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 62   and name HD% )
 OR {  351}
   (( segid "    " and resid 107  and name HG13))
   (  segid "    " and resid 62   and name HD% )
 OR {  351}
   (( segid "    " and resid 107  and name HG12))
   (  segid "    " and resid 62   and name HD% )
 ASSI {  369}
   (( segid "    " and resid 11   and name HB  ))
   (  segid "    " and resid 33   and name HD% )
      2.700     0.900     0.900 peak   369 weight  0.10000E+01 volume  0.23050E+06 ppm1      1.046 ppm2      6.836
 OR {  369}
   (  segid "    " and resid 40   and name HG2%)
   (  segid "    " and resid 51   and name HD% )
 OR {  369}
   (  segid "    " and resid 40   and name HG2%)
   (  segid "    " and resid 31   and name HD% )
 ASSI {  391}
   (( segid "    " and resid 27   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
      2.400     2.400     3.100 peak   391 weight  0.10000E+01 volume  0.49000E+06 ppm1      1.540 ppm2      6.756
 OR {  391}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 29   and name HE% )
 ASSI {  416}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 39   and name HD% )
      3.800     1.800     1.700 peak   416 weight  0.10000E+01 volume  0.29180E+05 ppm1      2.183 ppm2      6.675
 OR {  416}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 54   and name HD% )
 ASSI {  428}
   (( segid "    " and resid 41   and name HG2 ))
   (  segid "    " and resid 39   and name HE% )
      2.300     2.300     3.200 peak   428 weight  0.10000E+01 volume  0.52780E+06 ppm1      2.669 ppm2      6.622
 OR {  428}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 39   and name HE% )
 OR {  428}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 39   and name HE% )
 OR {  428}
   (( segid "    " and resid 41   and name HG3 ))
   (  segid "    " and resid 39   and name HE% )
 ASSI {  461}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 103  and name HH2 ))
      2.600     0.800     0.800 peak   461 weight  0.10000E+01 volume  0.28600E+06 ppm1      0.786 ppm2      6.320
 OR {  461}
   (  segid "    " and resid 107  and name HD1%)
   (( segid "    " and resid 103  and name HH2 ))
 OR {  461}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 103  and name HH2 ))
 OR {  461}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 103  and name HH2 ))
 ASSI {  475}
   (  segid "    " and resid 88   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak   475 weight  0.10000E+01 volume  0.26160E+06 ppm1      0.601 ppm2      5.933
 OR {  475}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 1244}
   (( segid "    " and resid 103  and name HE3 ))
   (( segid "    " and resid 103  and name HZ2 ))
      3.600     1.600     1.600 peak  1244 weight  0.10000E+01 volume  0.41100E+05 ppm1      7.003 ppm2      5.829
 OR { 1244}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 103  and name HZ2 ))
 ASSI { 1280}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 29   and name HD% )
      3.100     3.100     2.400 peak  1280 weight  0.10000E+01 volume  0.98720E+05 ppm1      6.834 ppm2      6.601
 OR { 1280}
   (  segid "    " and resid 31   and name HD% )
   (  segid "    " and resid 39   and name HE% )
 ASSI { 1307}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.500     1.500     1.500 peak  1307 weight  0.10000E+01 volume  0.48760E+05 ppm1      1.644 ppm2      8.820
 OR { 1307}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 1331}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 19   and name HH2 ))
      2.900     2.900     2.600 peak  1331 weight  0.10000E+01 volume  0.15750E+06 ppm1      1.264 ppm2      6.748
 OR { 1331}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 29   and name HE% )
 ASSI { 1337}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     2.800     2.700 peak  1337 weight  0.10000E+01 volume  0.18840E+06 ppm1      7.006 ppm2      5.569
 OR { 1337}
   (( segid "    " and resid 103  and name HE3 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1338}
   (( segid "    " and resid 103  and name HZ3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.500     1.500     1.500 peak  1338 weight  0.10000E+01 volume  0.47400E+05 ppm1      6.467 ppm2      5.576
 OR { 1338}
   (( segid "    " and resid 33   and name HZ  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1355}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 19   and name HZ3 ))
      3.200     1.300     1.300 peak  1355 weight  0.10000E+01 volume  0.78100E+05 ppm1      1.339 ppm2      6.661
 OR { 1355}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 62   and name HE% )
 OR { 1355}
   (( segid "    " and resid 87   and name HB3 ))
   (  segid "    " and resid 86   and name HD% )
 OR { 1355}
   (( segid "    " and resid 88   and name HB  ))
   (  segid "    " and resid 86   and name HD% )
 ASSI { 1364}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 39   and name HE% )
      3.300     1.400     1.400 peak  1364 weight  0.10000E+01 volume  0.71580E+05 ppm1      4.905 ppm2      6.605
 OR { 1364}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 29   and name HD% )
 ASSI { 1382}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 103  and name HH2 ))
      3.500     1.500     1.500 peak  1382 weight  0.10000E+01 volume  0.48360E+05 ppm1      4.818 ppm2      6.332
 OR { 1382}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 16   and name HD% )
 OR { 1382}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 103  and name HH2 ))
 ASSI { 1397}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 39   and name HE% )
      5.500     3.800     0.000 peak  1397 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.419 ppm2      6.618
 OR { 1397}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 39   and name HE% )

!!! hydrogen bond restraints

!Sheet 1 (strand 1 to 4)
assi (resid 12 and name HN) (resid 32 and name O) 1.95 0.25 0.25 
assi (resid 32 and name HN) (resid 12 and name O) 1.95 0.25 0.25 
assi (resid 14 and name HN) (resid 30 and name O) 1.95 0.25 0.25 
assi (resid 30 and name HN) (resid 14 and name O) 1.95 0.25 0.25 
assi (resid 16 and name HN) (resid 28 and name O) 1.95 0.25 0.25
assi (resid 28 and name HN) (resid 16 and name O) 1.95 0.25 0.25
assi (resid 18 and name HN) (resid 26 and name O) 1.95 0.25 0.25 
assi (resid 26 and name HN) (resid 18 and name O) 1.95 0.25 0.25 
assi (resid 27 and name HN) (resid 42 and name O) 1.95 0.25 0.25 
assi (resid 42 and name HN) (resid 27 and name O) 1.95 0.25 0.25 
assi (resid 29 and name HN) (resid 40 and name O) 1.95 0.25 0.25 
assi (resid 40 and name HN) (resid 29 and name O) 1.95 0.25 0.25 
assi (resid 31 and name HN) (resid 38 and name O) 1.95 0.25 0.25 
assi (resid 38  and name HN) (resid 31 and name O) 1.95 0.25 0.25 
assi (resid 33 and name HN) (resid 36 and name O) 1.95 0.25 0.25
assi (resid 36 and name HN) (resid 33 and name O) 1.95 0.25 0.25
assi (resid 37 and name HN) (resid 57 and name O) 1.95 0.25 0.25 
assi (resid 57 and name HN) (resid 37 and name O) 1.95 0.25 0.25 
!Sheet 2 (strand 5-7)
assi (resid 63 and name HN) (resid 77 and name O) 1.95 0.25 0.25 
assi (resid 77 and name HN) (resid 63 and name O) 1.95 0.25 0.25 
assi (resid 65 and name HN) (resid 75 and name O) 1.95 0.25 0.25 
assi (resid 75 and name HN) (resid 65 and name O) 1.95 0.25 0.25 
assi (resid 67 and name HN) (resid 73 and name O) 1.95 0.25 0.25 
assi (resid 73 and name HN) (resid 67 and name O) 1.95 0.25 0.25 
assi (resid 74 and name HN) (resid 88 and name O) 1.95 0.25 0.25 
assi (resid 88 and name HN) (resid 74 and name O) 1.95 0.25 0.25 
assi (resid 76 and name HN) (resid 86 and name O) 1.95 0.25 0.25 
assi (resid 86 and name HN) (resid 76 and name O) 1.95 0.25 0.25
! Donor-Acceptor
!Sheet 1 (strand 1 to 4)
assi (resid 12 and name N) (resid 32 and name O) 2.95 0.25 0.25 
assi (resid 32 and name N) (resid 12 and name O) 2.95 0.25 0.25 
assi (resid 14 and name N) (resid 30 and name O) 2.95 0.25 0.25 
assi (resid 30 and name N) (resid 14 and name O) 2.95 0.25 0.25 
assi (resid 16 and name N) (resid 28 and name O) 2.95 0.25 0.25
assi (resid 28 and name N) (resid 16 and name O) 2.95 0.25 0.25
assi (resid 18 and name N) (resid 26 and name O) 2.95 0.25 0.25 
assi (resid 26 and name N) (resid 18 and name O) 2.95 0.25 0.25 
assi (resid 27 and name N) (resid 42 and name O) 2.95 0.25 0.25 
assi (resid 42 and name N) (resid 27 and name O) 2.95 0.25 0.25 
assi (resid 29 and name N) (resid 40 and name O) 2.95 0.25 0.25 
assi (resid 40 and name N) (resid 29 and name O) 2.95 0.25 0.25 
assi (resid 31 and name N) (resid 38 and name O) 2.95 0.25 0.25 
assi (resid 38  and name N) (resid 31 and name O) 2.95 0.25 0.25 
assi (resid 33 and name N) (resid 36 and name O) 2.95 0.25 0.25
assi (resid 36 and name N) (resid 33 and name O) 2.95 0.25 0.25
assi (resid 37 and name N) (resid 57 and name O) 2.95 0.25 0.25 
assi (resid 57 and name N) (resid 37 and name O) 2.95 0.25 0.25 
!Sheet 2 (strand 5-7)
assi (resid 63 and name N) (resid 77 and name O) 2.95 0.25 0.25 
assi (resid 77 and name N) (resid 63 and name O) 2.95 0.25 0.25 
assi (resid 65 and name N) (resid 75 and name O) 2.95 0.25 0.25 
assi (resid 75 and name N) (resid 65 and name O) 2.95 0.25 0.25 
assi (resid 67 and name N) (resid 73 and name O) 2.95 0.25 0.25 
assi (resid 73 and name N) (resid 67 and name O) 2.95 0.25 0.25 
assi (resid 74 and name N) (resid 88 and name O) 2.95 0.25 0.25 
assi (resid 88 and name N) (resid 74 and name O) 2.95 0.25 0.25 
assi (resid 76 and name N) (resid 86 and name O) 2.95 0.25 0.25 
assi (resid 86 and name N) (resid 76 and name O) 2.95 0.25 0.25

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1  11.393 -10.717 -14.074
    2   2H    MET   1          HT2       MET   1   9.912  -9.857 -13.936
    3   3H    MET   1          HT3       MET   1  10.296 -11.105 -12.814
    4    HA   MET   1           HA       MET   1  11.627  -8.505 -13.138
    5   1HB   MET   1          HB3       MET   1  10.064  -9.746 -10.862
    6   2HB   MET   1          HB2       MET   1  10.826  -8.161 -10.831
    7   1HG   MET   1          HG2       MET   1   9.346  -7.434 -12.655
    8   2HG   MET   1          HG3       MET   1   8.566  -9.014 -12.630
    9   1HE   MET   1          HE1       MET   1   6.416  -6.043 -11.560
   10   2HE   MET   1          HE2       MET   1   6.852  -7.203 -12.814
   11   3HE   MET   1          HE3       MET   1   5.697  -7.653 -11.560
   12    H    GLY   2           HN       GLY   2  11.578 -11.635 -11.439
   13   1HA   GLY   2          HA2       GLY   2  13.695 -12.824 -11.194
   14   2HA   GLY   2          HA1       GLY   2  14.465 -11.270 -10.904
   15    H    ASP   3           HN       ASP   3  15.312 -12.262  -8.957
   16    HA   ASP   3           HA       ASP   3  13.348 -12.141  -6.764
   17   1HB   ASP   3          HB3       ASP   3  15.504 -14.195  -7.214
   18   2HB   ASP   3          HB2       ASP   3  14.855 -13.877  -5.608
   19    H    THR   4           HN       THR   4  14.979 -10.068  -7.774
   20    HA   THR   4           HA       THR   4  17.071  -9.766  -5.746
   21    HB   THR   4           HB       THR   4  16.511  -7.876  -8.033
   22    HG1  THR   4           HG1      THR   4  18.129 -10.219  -8.056
   23   1HG2  THR   4          HG21      THR   4  19.094  -8.587  -6.659
   24   2HG2  THR   4          HG22      THR   4  18.135  -7.145  -6.323
   25   3HG2  THR   4          HG23      THR   4  18.861  -7.369  -7.915
   26    H    GLY   5           HN       GLY   5  14.886  -9.712  -4.421
   27   1HA   GLY   5          HA1       GLY   5  14.169  -6.865  -4.109
   28   2HA   GLY   5          HA2       GLY   5  13.004  -8.165  -3.900
   29    H    LYS   6           HN       LYS   6  14.057  -6.029  -2.086
   30    HA   LYS   6           HA       LYS   6  15.312  -7.636   0.007
   31   1HB   LYS   6          HB2       LYS   6  14.744  -4.666  -0.083
   32   2HB   LYS   6          HB3       LYS   6  15.652  -5.501   1.171
   33   1HG   LYS   6          HG2       LYS   6  17.303  -6.182  -0.550
   34   2HG   LYS   6          HG3       LYS   6  16.423  -5.196  -1.721
   35   1HD   LYS   6          HD3       LYS   6  16.795  -3.222  -0.284
   36   2HD   LYS   6          HD2       LYS   6  17.749  -4.229   0.809
   37   1HE   LYS   6          HE3       LYS   6  19.218  -3.010  -0.678
   38   2HE   LYS   6          HE2       LYS   6  19.291  -4.736  -1.036
   39   1HZ   LYS   6          HZ1       LYS   6  18.961  -2.875  -2.899
   40   2HZ   LYS   6          HZ2       LYS   6  17.337  -3.205  -2.551
   41   3HZ   LYS   6          HZ3       LYS   6  18.367  -4.455  -3.053
   42    H    LEU   7           HN       LEU   7  14.478  -6.836   2.316
   43    HA   LEU   7           HA       LEU   7  11.725  -7.718   2.425
   44   1HB   LEU   7          HB3       LEU   7  13.510  -6.879   4.712
   45   2HB   LEU   7          HB2       LEU   7  12.054  -7.850   4.806
   46    HG   LEU   7           HG       LEU   7  14.648  -8.688   3.510
   47   1HD1  LEU   7          HD21      LEU   7  14.147  -8.543   6.169
   48   2HD1  LEU   7          HD22      LEU   7  13.606 -10.181   5.810
   49   3HD1  LEU   7          HD23      LEU   7  15.255  -9.692   5.422
   50   1HD2  LEU   7          HD11      LEU   7  13.690 -10.716   2.954
   51   2HD2  LEU   7          HD12      LEU   7  12.352 -10.516   4.087
   52   3HD2  LEU   7          HD13      LEU   7  12.394  -9.575   2.595
   53    H    GLY   8           HN       GLY   8  13.588  -4.809   2.956
   54   1HA   GLY   8          HA2       GLY   8  12.907  -2.612   3.028
   55   2HA   GLY   8          HA1       GLY   8  11.273  -3.154   2.662
   56    H    ARG   9           HN       ARG   9   9.823  -3.503   4.312
   57    HA   ARG   9           HA       ARG   9   8.829  -3.226   6.346
   58   1HB   ARG   9          HB2       ARG   9  11.550  -3.834   7.519
   59   2HB   ARG   9          HB3       ARG   9   9.990  -4.023   8.305
   60   1HG   ARG   9          HG3       ARG   9   9.474  -5.933   7.132
   61   2HG   ARG   9          HG2       ARG   9  10.594  -5.554   5.821
   62   1HD   ARG   9          HD2       ARG   9  11.465  -7.372   7.175
   63   2HD   ARG   9          HD3       ARG   9  12.483  -5.940   7.329
   64    HE   ARG   9           HE       ARG   9  11.943  -5.815   9.548
   65   1HH1  ARG   9          HH12      ARG   9  10.538  -8.848   8.501
   66   2HH1  ARG   9          HH11      ARG   9   8.980  -8.468   9.188
   67   1HH2  ARG   9          HH22      ARG   9  11.193  -7.344  11.523
   68   2HH2  ARG   9          HH21      ARG   9   9.502  -6.920  11.397
   69    H    ILE  10           HN       ILE  10  10.623  -1.074   5.072
   70    HA   ILE  10           HA       ILE  10  11.525   0.539   7.215
   71    HB   ILE  10           HB       ILE  10  12.495   0.545   4.919
   72   1HG1  ILE  10          HG12      ILE  10  11.585   3.279   5.826
   73   2HG1  ILE  10          HG13      ILE  10  12.865   2.363   6.614
   74   1HG2  ILE  10          HG21      ILE  10  10.161   2.295   4.182
   75   2HG2  ILE  10          HG22      ILE  10  11.472   1.745   3.137
   76   3HG2  ILE  10          HG23      ILE  10  10.286   0.592   3.747
   77   1HD1  ILE  10          HD11      ILE  10  13.998   3.820   5.215
   78   2HD1  ILE  10          HD12      ILE  10  13.972   2.314   4.300
   79   3HD1  ILE  10          HD13      ILE  10  12.845   3.608   3.898
   80    H    ILE  11           HN       ILE  11   8.443   0.313   5.588
   81    HA   ILE  11           HA       ILE  11   7.578   2.662   7.138
   82    HB   ILE  11           HB       ILE  11   6.363   1.741   4.527
   83   1HG1  ILE  11          HG13      ILE  11   8.065   4.161   5.163
   84   2HG1  ILE  11          HG12      ILE  11   8.559   2.778   4.191
   85   1HG2  ILE  11          HG21      ILE  11   4.570   2.913   5.143
   86   2HG2  ILE  11          HG22      ILE  11   5.363   3.406   6.640
   87   3HG2  ILE  11          HG23      ILE  11   5.573   4.365   5.175
   88   1HD1  ILE  11          HD11      ILE  11   7.289   5.148   3.355
   89   2HD1  ILE  11          HD12      ILE  11   7.764   3.755   2.385
   90   3HD1  ILE  11          HD13      ILE  11   6.155   3.820   3.104
   91    H    ARG  12           HN       ARG  12   5.492   0.470   5.350
   92    HA   ARG  12           HA       ARG  12   4.617  -0.829   7.820
   93   1HB   ARG  12          HB2       ARG  12   3.418   1.458   7.205
   94   2HB   ARG  12          HB3       ARG  12   2.526   0.431   6.096
   95   1HG   ARG  12          HG3       ARG  12   1.262   0.658   8.094
   96   2HG   ARG  12          HG2       ARG  12   1.888  -0.991   8.031
   97   1HD   ARG  12          HD3       ARG  12   3.244  -0.684   9.819
   98   2HD   ARG  12          HD2       ARG  12   3.566   1.004   9.419
   99    HE   ARG  12           HE       ARG  12   1.915   1.594  10.856
  100   1HH1  ARG  12          HH11      ARG  12   1.336  -1.944  11.476
  101   2HH1  ARG  12          HH12      ARG  12   0.394  -1.840  10.009
  102   1HH2  ARG  12          HH21      ARG  12   0.045   0.445  12.744
  103   2HH2  ARG  12          HH22      ARG  12  -0.929   0.894  11.369
  104    H    HIS  13           HN       HIS  13   3.290  -2.711   7.434
  105    HA   HIS  13           HA       HIS  13   2.752  -3.469   4.703
  106   1HB   HIS  13          HB2       HIS  13   4.133  -5.405   4.582
  107   2HB   HIS  13          HB3       HIS  13   5.167  -4.069   5.061
  108    HD1  HIS  13           HD1      HIS  13   5.383  -4.002   7.921
  109    HD2  HIS  13           HD2      HIS  13   4.669  -7.602   5.963
  110    HE1  HIS  13           HE1      HIS  13   6.091  -5.804   9.530
  111    HE2  HIS  13           HE2      HIS  13   5.479  -7.965   8.389
  112    H    ASP  14           HN       ASP  14   0.677  -3.828   5.041
  113    HA   ASP  14           HA       ASP  14  -0.075  -6.001   6.862
  114   1HB   ASP  14          HB2       ASP  14  -1.292  -3.240   6.774
  115   2HB   ASP  14          HB3       ASP  14  -2.241  -4.634   7.292
  116    H    ALA  15           HN       ALA  15  -2.215  -6.939   6.298
  117    HA   ALA  15           HA       ALA  15  -2.542  -6.876   3.383
  118   1HB   ALA  15          HB1       ALA  15  -2.371  -9.080   3.681
  119   2HB   ALA  15          HB2       ALA  15  -2.679  -8.961   5.413
  120   3HB   ALA  15          HB3       ALA  15  -4.027  -8.998   4.278
  121    H    PHE  16           HN       PHE  16  -4.199  -5.834   2.561
  122    HA   PHE  16           HA       PHE  16  -6.582  -5.385   4.230
  123   1HB   PHE  16          HB3       PHE  16  -5.371  -3.754   1.999
  124   2HB   PHE  16          HB2       PHE  16  -7.031  -3.519   2.525
  125    HD1  PHE  16           HD1      PHE  16  -3.620  -3.733   4.042
  126    HD2  PHE  16           HD2      PHE  16  -7.438  -1.854   4.026
  127    HE1  PHE  16           HE1      PHE  16  -2.855  -2.169   5.780
  128    HE2  PHE  16           HE2      PHE  16  -6.679  -0.291   5.766
  129    HZ   PHE  16           HZ       PHE  16  -4.387  -0.449   6.647
  130    H    GLN  17           HN       GLN  17  -8.290  -6.537   3.675
  131    HA   GLN  17           HA       GLN  17  -8.389  -7.777   1.052
  132   1HB   GLN  17          HB3       GLN  17  -8.954  -9.156   3.010
  133   2HB   GLN  17          HB2       GLN  17 -10.255  -8.049   3.423
  134   1HG   GLN  17          HG3       GLN  17 -11.462  -8.643   1.426
  135   2HG   GLN  17          HG2       GLN  17 -10.124  -9.649   0.875
  136   1HE2  GLN  17          HE21      GLN  17 -10.540 -11.711   1.097
  137   2HE2  GLN  17          HE22      GLN  17 -11.199 -12.455   2.504
  138    H    VAL  18           HN       VAL  18  -9.002  -6.458  -0.486
  139    HA   VAL  18           HA       VAL  18 -11.570  -5.113  -0.198
  140    HB   VAL  18           HB       VAL  18  -9.934  -3.351  -1.695
  141   1HG1  VAL  18          HG21      VAL  18 -10.630  -2.478   0.976
  142   2HG1  VAL  18          HG22      VAL  18 -11.188  -1.885  -0.589
  143   3HG1  VAL  18          HG23      VAL  18 -11.971  -3.278   0.158
  144   1HG2  VAL  18          HG11      VAL  18  -8.562  -4.529   0.606
  145   2HG2  VAL  18          HG12      VAL  18  -7.918  -3.610  -0.753
  146   3HG2  VAL  18          HG13      VAL  18  -8.627  -2.766   0.624
  147    H    TRP  19           HN       TRP  19 -11.737  -3.783  -2.465
  148    HA   TRP  19           HA       TRP  19 -11.559  -5.856  -4.550
  149   1HB   TRP  19          HB2       TRP  19 -13.572  -3.618  -4.463
  150   2HB   TRP  19          HB3       TRP  19 -13.698  -5.179  -5.266
  151    HD1  TRP  19           HD1      TRP  19 -14.766  -7.133  -3.965
  152    HE1  TRP  19           HE1      TRP  19 -15.852  -7.393  -1.655
  153    HE3  TRP  19           HE3      TRP  19 -13.390  -2.595  -1.838
  154    HZ2  TRP  19           HZ2      TRP  19 -16.090  -5.945   0.727
  155    HZ3  TRP  19           HZ3      TRP  19 -14.111  -2.185   0.472
  156    HH2  TRP  19           HH2      TRP  19 -15.436  -3.803   1.716
  157    H    GLU  20           HN       GLU  20  -9.919  -5.168  -6.123
  158    HA   GLU  20           HA       GLU  20  -9.505  -2.356  -6.497
  159   1HB   GLU  20          HB2       GLU  20  -7.711  -4.182  -6.533
  160   2HB   GLU  20          HB3       GLU  20  -8.386  -4.688  -8.072
  161   1HG   GLU  20          HG3       GLU  20  -8.000  -2.087  -8.590
  162   2HG   GLU  20          HG2       GLU  20  -6.721  -2.354  -7.406
  163    H    GLY  21           HN       GLY  21  -9.370  -1.714  -8.947
  164   1HA   GLY  21          HA2       GLY  21 -11.062  -0.893 -10.440
  165   2HA   GLY  21          HA1       GLY  21 -10.294  -2.275 -11.182
  166    H    ASP  22           HN       ASP  22 -12.916  -1.917  -8.778
  167    HA   ASP  22           HA       ASP  22 -15.008  -2.780  -8.665
  168   1HB   ASP  22          HB2       ASP  22 -14.811  -2.484 -11.661
  169   2HB   ASP  22          HB3       ASP  22 -16.302  -2.878 -10.810
  170    H    GLU  23           HN       GLU  23 -12.583  -4.635  -9.405
  171    HA   GLU  23           HA       GLU  23 -14.007  -6.970 -10.407
  172   1HB   GLU  23          HB3       GLU  23 -11.767  -6.418 -11.293
  173   2HB   GLU  23          HB2       GLU  23 -11.098  -6.520  -9.672
  174   1HG   GLU  23          HG2       GLU  23 -11.549  -8.883  -9.584
  175   2HG   GLU  23          HG3       GLU  23 -12.354  -8.816 -11.150
  176    HA   PRO  24           HA       PRO  24 -15.090  -9.007  -6.638
  177   1HB   PRO  24          HB3       PRO  24 -13.309 -11.242  -7.306
  178   2HB   PRO  24          HB2       PRO  24 -15.057 -11.225  -7.081
  179   1HG   PRO  24          HG2       PRO  24 -13.616 -11.256  -9.530
  180   2HG   PRO  24          HG3       PRO  24 -15.368 -11.158  -9.301
  181   1HD   PRO  24          HD2       PRO  24 -13.712  -9.153 -10.335
  182   2HD   PRO  24          HD3       PRO  24 -15.388  -8.956  -9.793
  183    HA   PRO  25           HA       PRO  25 -12.228  -8.141  -3.461
  184   1HB   PRO  25          HB3       PRO  25 -12.430 -10.562  -2.027
  185   2HB   PRO  25          HB2       PRO  25 -13.321  -9.066  -1.752
  186   1HG   PRO  25          HG2       PRO  25 -14.145 -11.504  -3.231
  187   2HG   PRO  25          HG3       PRO  25 -15.128 -10.357  -2.304
  188   1HD   PRO  25          HD3       PRO  25 -15.162 -10.372  -4.982
  189   2HD   PRO  25          HD2       PRO  25 -15.256  -8.851  -4.067
  190    H    LYS  26           HN       LYS  26 -10.329  -8.412  -2.734
  191    HA   LYS  26           HA       LYS  26  -8.613 -10.623  -3.660
  192   1HB   LYS  26          HB3       LYS  26  -8.157  -7.702  -4.102
  193   2HB   LYS  26          HB2       LYS  26  -6.769  -8.725  -3.770
  194   1HG   LYS  26          HG3       LYS  26  -6.815  -8.696  -6.059
  195   2HG   LYS  26          HG2       LYS  26  -7.682 -10.187  -5.697
  196   1HD   LYS  26          HD3       LYS  26  -9.393  -9.450  -6.893
  197   2HD   LYS  26          HD2       LYS  26  -9.598  -8.131  -5.739
  198   1HE   LYS  26          HE2       LYS  26  -9.381  -7.276  -8.016
  199   2HE   LYS  26          HE3       LYS  26  -8.028  -6.761  -7.012
  200   1HZ   LYS  26          HZ1       LYS  26  -7.437  -9.207  -8.317
  201   2HZ   LYS  26          HZ2       LYS  26  -6.612  -7.727  -8.388
  202   3HZ   LYS  26          HZ3       LYS  26  -7.904  -8.035  -9.447
  203    H    LEU  27           HN       LEU  27  -6.607 -10.834  -2.418
  204    HA   LEU  27           HA       LEU  27  -6.831  -9.710   0.288
  205   1HB   LEU  27          HB3       LEU  27  -7.199 -12.310  -0.221
  206   2HB   LEU  27          HB2       LEU  27  -5.446 -12.309  -0.239
  207    HG   LEU  27           HG       LEU  27  -6.111 -12.963   1.951
  208   1HD1  LEU  27          HD21      LEU  27  -4.777 -10.451   1.560
  209   2HD1  LEU  27          HD22      LEU  27  -5.677 -10.443   3.077
  210   3HD1  LEU  27          HD23      LEU  27  -4.481 -11.702   2.769
  211   1HD2  LEU  27          HD11      LEU  27  -7.537 -10.772   2.991
  212   2HD2  LEU  27          HD12      LEU  27  -8.315 -11.217   1.471
  213   3HD2  LEU  27          HD13      LEU  27  -8.103 -12.423   2.740
  214    H    ARG  28           HN       ARG  28  -5.558  -8.022  -0.815
  215    HA   ARG  28           HA       ARG  28  -2.885  -8.792  -1.613
  216   1HB   ARG  28          HB3       ARG  28  -2.629  -6.363  -2.180
  217   2HB   ARG  28          HB2       ARG  28  -3.865  -7.228  -3.076
  218   1HG   ARG  28          HG2       ARG  28  -4.813  -5.869  -0.651
  219   2HG   ARG  28          HG3       ARG  28  -4.204  -4.807  -1.922
  220   1HD   ARG  28          HD2       ARG  28  -5.683  -6.259  -3.482
  221   2HD   ARG  28          HD3       ARG  28  -6.503  -6.715  -1.991
  222    HE   ARG  28           HE       ARG  28  -6.400  -3.973  -1.944
  223   1HH1  ARG  28          HH12      ARG  28  -7.298  -5.665  -4.951
  224   2HH1  ARG  28          HH11      ARG  28  -8.762  -6.098  -4.105
  225   1HH2  ARG  28          HH21      ARG  28  -8.682  -2.977  -2.474
  226   2HH2  ARG  28          HH22      ARG  28  -8.378  -2.846  -4.171
  227    H    TYR  29           HN       TYR  29  -1.126  -8.593  -0.519
  228    HA   TYR  29           HA       TYR  29  -1.202  -7.482   2.172
  229   1HB   TYR  29          HB3       TYR  29   1.077  -8.821   0.674
  230   2HB   TYR  29          HB2       TYR  29   1.091  -8.376   2.373
  231    HD1  TYR  29           HD1      TYR  29   1.890 -10.887   2.269
  232    HD2  TYR  29           HD2      TYR  29  -2.122  -9.615   1.657
  233    HE1  TYR  29           HE1      TYR  29   1.100 -13.132   2.864
  234    HE2  TYR  29           HE2      TYR  29  -2.923 -11.863   2.251
  235    HH   TYR  29           HH       TYR  29  -1.197 -14.504   2.205
  236    H    VAL  30           HN       VAL  30  -1.276  -5.310   1.948
  237    HA   VAL  30           HA       VAL  30   0.177  -3.880  -0.033
  238    HB   VAL  30           HB       VAL  30  -1.241  -2.852   2.433
  239   1HG1  VAL  30          HG21      VAL  30  -0.985  -0.706   1.677
  240   2HG1  VAL  30          HG22      VAL  30   0.550  -1.417   1.180
  241   3HG1  VAL  30          HG23      VAL  30  -0.746  -1.207   0.002
  242   1HG2  VAL  30          HG11      VAL  30  -2.320  -2.633  -0.347
  243   2HG2  VAL  30          HG12      VAL  30  -2.504  -4.152   0.532
  244   3HG2  VAL  30          HG13      VAL  30  -3.176  -2.663   1.195
  245    H    PHE  31           HN       PHE  31   2.265  -3.568  -0.005
  246    HA   PHE  31           HA       PHE  31   3.666  -3.246   2.570
  247   1HB   PHE  31          HB2       PHE  31   4.810  -4.078  -0.104
  248   2HB   PHE  31          HB3       PHE  31   5.670  -4.029   1.427
  249    HD1  PHE  31           HD1      PHE  31   4.365  -5.504   3.327
  250    HD2  PHE  31           HD2      PHE  31   4.292  -6.136  -0.878
  251    HE1  PHE  31           HE1      PHE  31   3.831  -7.876   3.699
  252    HE2  PHE  31           HE2      PHE  31   3.752  -8.509  -0.515
  253    HZ   PHE  31           HZ       PHE  31   3.522  -9.384   1.775
  254    H    LEU  32           HN       LEU  32   4.284  -1.170   2.954
  255    HA   LEU  32           HA       LEU  32   4.641   0.578   0.618
  256   1HB   LEU  32          HB2       LEU  32   4.856   1.701   3.354
  257   2HB   LEU  32          HB3       LEU  32   4.177   2.398   1.895
  258    HG   LEU  32           HG       LEU  32   2.790   0.298   3.552
  259   1HD1  LEU  32          HD11      LEU  32   1.439   2.763   3.643
  260   2HD1  LEU  32          HD12      LEU  32   2.252   1.928   4.967
  261   3HD1  LEU  32          HD13      LEU  32   3.132   3.113   4.001
  262   1HD2  LEU  32          HD21      LEU  32   2.375   1.201   0.930
  263   2HD2  LEU  32          HD22      LEU  32   1.299   0.210   1.914
  264   3HD2  LEU  32          HD23      LEU  32   1.130   1.964   1.919
  265    H    PHE  33           HN       PHE  33   6.661   0.896  -0.073
  266    HA   PHE  33           HA       PHE  33   8.810   0.863   1.939
  267   1HB   PHE  33          HB2       PHE  33   9.006  -0.309  -0.845
  268   2HB   PHE  33          HB3       PHE  33  10.298  -0.252   0.347
  269    HD1  PHE  33           HD1      PHE  33   9.171  -1.210   2.780
  270    HD2  PHE  33           HD2      PHE  33   8.359  -2.452  -1.204
  271    HE1  PHE  33           HE1      PHE  33   8.501  -3.428   3.609
  272    HE2  PHE  33           HE2      PHE  33   7.687  -4.669  -0.383
  273    HZ   PHE  33           HZ       PHE  33   7.757  -5.161   2.027
  274    H    ARG  34           HN       ARG  34  10.206   2.508   1.811
  275    HA   ARG  34           HA       ARG  34  11.173   4.459   1.214
  276   1HB   ARG  34          HB3       ARG  34  11.995   2.976  -0.635
  277   2HB   ARG  34          HB2       ARG  34  10.685   3.587  -1.633
  278   1HG   ARG  34          HG3       ARG  34  11.590   5.785  -1.623
  279   2HG   ARG  34          HG2       ARG  34  12.774   5.353  -0.386
  280   1HD   ARG  34          HD2       ARG  34  13.887   5.399  -2.503
  281   2HD   ARG  34          HD3       ARG  34  13.757   3.721  -1.979
  282    HE   ARG  34           HE       ARG  34  11.601   4.537  -3.697
  283   1HH1  ARG  34          HH11      ARG  34  14.977   3.175  -3.850
  284   2HH1  ARG  34          HH12      ARG  34  14.033   1.818  -4.397
  285   1HH2  ARG  34          HH22      ARG  34  11.816   2.769  -5.857
  286   2HH2  ARG  34          HH21      ARG  34  12.770   4.065  -6.532
  287    H    ASN  35           HN       ASN  35   9.172   4.514  -1.697
  288    HA   ASN  35           HA       ASN  35   7.396   6.484  -0.471
  289   1HB   ASN  35          HB2       ASN  35   9.376   7.694  -1.435
  290   2HB   ASN  35          HB3       ASN  35   8.938   7.062  -3.016
  291   1HD2  ASN  35          HD21      ASN  35   8.231   9.343  -0.571
  292   2HD2  ASN  35          HD22      ASN  35   6.811  10.034  -1.255
  293    H    LYS  36           HN       LYS  36   7.376   3.680  -1.744
  294    HA   LYS  36           HA       LYS  36   5.056   4.266  -3.442
  295   1HB   LYS  36          HB2       LYS  36   5.645   2.582  -5.046
  296   2HB   LYS  36          HB3       LYS  36   6.964   3.735  -4.906
  297   1HG   LYS  36          HG2       LYS  36   8.344   2.220  -3.820
  298   2HG   LYS  36          HG3       LYS  36   6.996   1.166  -3.373
  299   1HD   LYS  36          HD2       LYS  36   6.648   0.634  -5.739
  300   2HD   LYS  36          HD3       LYS  36   8.032   1.647  -6.167
  301   1HE   LYS  36          HE2       LYS  36   9.495   0.204  -4.819
  302   2HE   LYS  36          HE3       LYS  36   8.113  -0.818  -4.431
  303   1HZ   LYS  36          HZ1       LYS  36   9.710  -1.426  -6.381
  304   2HZ   LYS  36          HZ2       LYS  36   8.757  -0.329  -7.256
  305   3HZ   LYS  36          HZ3       LYS  36   8.040  -1.683  -6.532
  306    H    ILE  37           HN       ILE  37   3.451   2.766  -3.508
  307    HA   ILE  37           HA       ILE  37   3.384   0.915  -1.228
  308    HB   ILE  37           HB       ILE  37   1.146   2.119  -2.873
  309   1HG1  ILE  37          HG12      ILE  37   1.959   2.640  -0.006
  310   2HG1  ILE  37          HG13      ILE  37   2.293   3.711  -1.363
  311   1HG2  ILE  37          HG21      ILE  37   0.679  -0.171  -2.020
  312   2HG2  ILE  37          HG22      ILE  37   0.911   0.442  -0.383
  313   3HG2  ILE  37          HG23      ILE  37  -0.399   1.070  -1.382
  314   1HD1  ILE  37          HD11      ILE  37   0.266   4.160   0.196
  315   2HD1  ILE  37          HD12      ILE  37   0.110   4.383  -1.546
  316   3HD1  ILE  37          HD13      ILE  37  -0.519   2.922  -0.784
  317    H    MET  38           HN       MET  38   4.019  -1.090  -1.934
  318    HA   MET  38           HA       MET  38   2.849  -2.060  -4.458
  319   1HB   MET  38          HB3       MET  38   4.664  -3.820  -4.355
  320   2HB   MET  38          HB2       MET  38   5.201  -2.179  -4.680
  321   1HG   MET  38          HG3       MET  38   5.941  -1.933  -2.394
  322   2HG   MET  38          HG2       MET  38   5.315  -3.532  -1.996
  323   1HE   MET  38          HE1       MET  38   7.621  -5.881  -4.076
  324   2HE   MET  38          HE2       MET  38   6.510  -5.827  -2.708
  325   3HE   MET  38          HE3       MET  38   5.965  -5.319  -4.306
  326    H    PHE  39           HN       PHE  39   1.182  -3.356  -4.194
  327    HA   PHE  39           HA       PHE  39   1.067  -4.944  -1.731
  328   1HB   PHE  39          HB2       PHE  39  -1.420  -4.866  -1.997
  329   2HB   PHE  39          HB3       PHE  39  -0.664  -3.319  -1.648
  330    HD1  PHE  39           HD1      PHE  39  -0.067  -1.904  -3.862
  331    HD2  PHE  39           HD2      PHE  39  -3.049  -4.924  -3.581
  332    HE1  PHE  39           HE1      PHE  39  -1.220  -0.944  -5.812
  333    HE2  PHE  39           HE2      PHE  39  -4.211  -3.964  -5.531
  334    HZ   PHE  39           HZ       PHE  39  -3.293  -1.975  -6.647
  335    H    THR  40           HN       THR  40   1.065  -7.026  -1.878
  336    HA   THR  40           HA       THR  40   1.034  -8.273  -4.475
  337    HB   THR  40           HB       THR  40   1.496 -10.353  -3.145
  338    HG1  THR  40           HG1      THR  40   2.064  -8.964  -0.864
  339   1HG2  THR  40          HG21      THR  40   3.229  -8.239  -3.609
  340   2HG2  THR  40          HG22      THR  40   3.659  -9.894  -3.180
  341   3HG2  THR  40          HG23      THR  40   3.485  -8.673  -1.919
  342    H    GLU  41           HN       GLU  41  -1.013  -8.211  -5.295
  343    HA   GLU  41           HA       GLU  41  -3.325  -8.736  -3.751
  344   1HB   GLU  41          HB2       GLU  41  -2.861  -8.563  -6.714
  345   2HB   GLU  41          HB3       GLU  41  -4.425  -9.020  -6.058
  346   1HG   GLU  41          HG2       GLU  41  -4.048  -6.794  -4.657
  347   2HG   GLU  41          HG3       GLU  41  -3.055  -6.398  -6.060
  348    H    GLN  42           HN       GLN  42  -2.957 -10.679  -2.705
  349    HA   GLN  42           HA       GLN  42  -2.556 -13.117  -4.171
  350   1HB   GLN  42          HB2       GLN  42  -1.742 -12.914  -1.872
  351   2HB   GLN  42          HB3       GLN  42  -3.373 -12.601  -1.299
  352   1HG   GLN  42          HG2       GLN  42  -4.026 -14.860  -2.027
  353   2HG   GLN  42          HG3       GLN  42  -2.351 -15.164  -2.493
  354   1HE2  GLN  42          HE21      GLN  42  -4.600 -15.386  -0.059
  355   2HE2  GLN  42          HE22      GLN  42  -3.508 -15.889   1.187
  356    H    ASP  43           HN       ASP  43  -4.229 -12.942  -5.667
  357    HA   ASP  43           HA       ASP  43  -6.965 -12.966  -4.700
  358   1HB   ASP  43          HB3       ASP  43  -6.116 -11.579  -6.713
  359   2HB   ASP  43          HB2       ASP  43  -6.177 -13.107  -7.590
  360    H    ALA  44           HN       ALA  44  -7.916 -14.763  -4.244
  361    HA   ALA  44           HA       ALA  44  -6.818 -17.301  -5.012
  362   1HB   ALA  44          HB1       ALA  44  -8.142 -16.467  -2.834
  363   2HB   ALA  44          HB2       ALA  44  -9.471 -17.204  -3.728
  364   3HB   ALA  44          HB3       ALA  44  -8.044 -18.158  -3.323
  365    H    SER  45           HN       SER  45  -7.663 -15.831  -7.273
  366    HA   SER  45           HA       SER  45 -10.201 -16.730  -8.217
  367   1HB   SER  45          HB3       SER  45  -7.867 -15.931  -9.957
  368   2HB   SER  45          HB2       SER  45  -9.590 -15.751 -10.290
  369    HG   SER  45           HG       SER  45  -9.585 -14.267  -8.434
  370    H    THR  46           HN       THR  46 -10.275 -18.916  -7.949
  371    HA   THR  46           HA       THR  46  -9.929 -21.114  -8.292
  372    HB   THR  46           HB       THR  46  -9.295 -21.839 -10.582
  373    HG1  THR  46           HG1      THR  46  -8.498 -19.195 -10.783
  374   1HG2  THR  46          HG21      THR  46 -11.361 -19.687 -10.340
  375   2HG2  THR  46          HG22      THR  46 -11.584 -21.435 -10.333
  376   3HG2  THR  46          HG23      THR  46 -11.111 -20.613 -11.819
  377    H    SER  47           HN       SER  47  -7.220 -20.931 -10.405
  378    HA   SER  47           HA       SER  47  -5.363 -21.183  -8.157
  379   1HB   SER  47          HB2       SER  47  -5.445 -23.180 -10.428
  380   2HB   SER  47          HB3       SER  47  -4.346 -23.198  -9.050
  381    HG   SER  47           HG       SER  47  -6.648 -23.130  -7.934
  382    HA   PRO  48           HA       PRO  48  -2.772 -20.408 -12.271
  383   1HB   PRO  48          HB2       PRO  48  -4.920 -19.368 -14.035
  384   2HB   PRO  48          HB3       PRO  48  -3.527 -20.387 -14.421
  385   1HG   PRO  48          HG2       PRO  48  -5.965 -21.432 -14.277
  386   2HG   PRO  48          HG3       PRO  48  -4.564 -22.317 -13.646
  387   1HD   PRO  48          HD3       PRO  48  -6.656 -20.771 -12.168
  388   2HD   PRO  48          HD2       PRO  48  -5.905 -22.327 -11.756
  389    HA   PRO  49           HA       PRO  49  -4.120 -15.700 -12.723
  390   1HB   PRO  49          HB3       PRO  49  -6.227 -15.591 -10.630
  391   2HB   PRO  49          HB2       PRO  49  -6.112 -14.735 -12.174
  392   1HG   PRO  49          HG3       PRO  49  -7.767 -16.781 -11.919
  393   2HG   PRO  49          HG2       PRO  49  -6.800 -16.598 -13.396
  394   1HD   PRO  49          HD3       PRO  49  -6.361 -18.419 -11.052
  395   2HD   PRO  49          HD2       PRO  49  -6.202 -18.762 -12.787
  396    H    SER  50           HN       SER  50  -5.254 -14.599  -9.880
  397    HA   SER  50           HA       SER  50  -4.346 -13.693  -8.010
  398   1HB   SER  50          HB2       SER  50  -3.612 -16.020  -7.456
  399   2HB   SER  50          HB3       SER  50  -2.103 -15.713  -8.312
  400    HG   SER  50           HG       SER  50  -1.485 -15.079  -6.389
  401    H    TYR  51           HN       TYR  51  -2.096 -12.598  -7.288
  402    HA   TYR  51           HA       TYR  51  -0.719 -11.622  -9.693
  403   1HB   TYR  51          HB3       TYR  51  -2.221  -9.985  -7.687
  404   2HB   TYR  51          HB2       TYR  51  -0.776  -9.306  -8.426
  405    HD1  TYR  51           HD1      TYR  51  -3.985 -10.974  -9.405
  406    HD2  TYR  51           HD2      TYR  51  -0.989  -8.119 -10.387
  407    HE1  TYR  51           HE1      TYR  51  -5.287 -10.292 -11.376
  408    HE2  TYR  51           HE2      TYR  51  -2.282  -7.431 -12.357
  409    HH   TYR  51           HH       TYR  51  -5.510  -8.308 -12.833
  410    H    THR  52           HN       THR  52   1.239 -12.482  -9.301
  411    HA   THR  52           HA       THR  52   2.447 -12.526  -6.704
  412    HB   THR  52           HB       THR  52   3.588 -13.022  -9.468
  413    HG1  THR  52           HG1      THR  52   1.989 -14.518  -8.851
  414   1HG2  THR  52          HG21      THR  52   5.243 -12.491  -7.559
  415   2HG2  THR  52          HG22      THR  52   5.509 -13.910  -8.573
  416   3HG2  THR  52          HG23      THR  52   4.804 -14.093  -6.967
  417    H    HIS  53           HN       HIS  53   2.336 -10.377  -6.074
  418    HA   HIS  53           HA       HIS  53   2.787  -8.169  -5.941
  419   1HB   HIS  53          HB3       HIS  53   5.164  -7.579  -5.773
  420   2HB   HIS  53          HB2       HIS  53   4.767  -9.030  -4.870
  421    HD1  HIS  53           HD1      HIS  53   5.669 -11.326  -5.899
  422    HD2  HIS  53           HD2      HIS  53   7.186  -7.839  -7.584
  423    HE1  HIS  53           HE1      HIS  53   7.722 -12.022  -7.173
  424    HE2  HIS  53           HE2      HIS  53   8.753  -9.861  -7.945
  425    H    TYR  54           HN       TYR  54   1.766  -8.686  -8.418
  426    HA   TYR  54           HA       TYR  54   3.382  -7.298 -10.386
  427   1HB   TYR  54          HB2       TYR  54   1.951  -9.293 -10.945
  428   2HB   TYR  54          HB3       TYR  54   0.535  -8.290 -10.648
  429    HD1  TYR  54           HD1      TYR  54   3.726  -8.026 -12.580
  430    HD2  TYR  54           HD2      TYR  54  -0.488  -7.461 -12.533
  431    HE1  TYR  54           HE1      TYR  54   3.816  -7.240 -14.904
  432    HE2  TYR  54           HE2      TYR  54  -0.414  -6.670 -14.860
  433    HH   TYR  54           HH       TYR  54   1.931  -7.224 -16.908
  434    H    SER  55           HN       SER  55   0.467  -6.783  -8.485
  435    HA   SER  55           HA       SER  55  -0.131  -4.226  -9.628
  436   1HB   SER  55          HB2       SER  55  -1.120  -5.354  -6.997
  437   2HB   SER  55          HB3       SER  55  -1.885  -4.108  -7.983
  438    HG   SER  55           HG       SER  55  -2.900  -6.112  -8.303
  439    H    SER  56           HN       SER  56   0.558  -2.256  -8.963
  440    HA   SER  56           HA       SER  56   1.650  -1.843  -6.340
  441   1HB   SER  56          HB2       SER  56   3.885  -1.047  -7.225
  442   2HB   SER  56          HB3       SER  56   3.634  -2.792  -7.270
  443    HG   SER  56           HG       SER  56   2.745  -1.999  -9.552
  444    H    ILE  57           HN       ILE  57   1.931   0.317  -5.816
  445    HA   ILE  57           HA       ILE  57   0.993   2.289  -7.798
  446    HB   ILE  57           HB       ILE  57   0.212   2.040  -4.882
  447   1HG1  ILE  57          HG13      ILE  57  -1.053   0.582  -6.381
  448   2HG1  ILE  57          HG12      ILE  57  -2.080   1.868  -5.758
  449   1HG2  ILE  57          HG21      ILE  57   0.183   4.370  -6.668
  450   2HG2  ILE  57          HG22      ILE  57  -1.330   4.063  -5.816
  451   3HG2  ILE  57          HG23      ILE  57   0.165   4.284  -4.906
  452   1HD1  ILE  57          HD11      ILE  57  -1.978   3.040  -7.840
  453   2HD1  ILE  57          HD12      ILE  57  -0.778   1.909  -8.468
  454   3HD1  ILE  57          HD13      ILE  57  -2.427   1.363  -8.155
  455    H    ARG  58           HN       ARG  58   1.944   4.384  -7.561
  456    HA   ARG  58           HA       ARG  58   4.184   4.517  -5.672
  457   1HB   ARG  58          HB2       ARG  58   5.636   5.496  -7.296
  458   2HB   ARG  58          HB3       ARG  58   4.967   4.032  -7.996
  459   1HG   ARG  58          HG2       ARG  58   3.863   6.753  -8.587
  460   2HG   ARG  58          HG3       ARG  58   5.158   6.013  -9.526
  461   1HD   ARG  58          HD2       ARG  58   2.372   4.920  -9.139
  462   2HD   ARG  58          HD3       ARG  58   3.004   5.668 -10.603
  463    HE   ARG  58           HE       ARG  58   3.287   2.964  -9.840
  464   1HH1  ARG  58          HH11      ARG  58   4.495   5.192 -12.293
  465   2HH1  ARG  58          HH12      ARG  58   6.139   4.679 -12.030
  466   1HH2  ARG  58          HH22      ARG  58   5.472   1.726 -10.778
  467   2HH2  ARG  58          HH21      ARG  58   4.736   1.986 -12.335
  468    H    LEU  59           HN       LEU  59   4.194   6.287  -4.414
  469    HA   LEU  59           HA       LEU  59   2.056   8.098  -4.443
  470   1HB   LEU  59          HB2       LEU  59   4.549   7.731  -2.884
  471   2HB   LEU  59          HB3       LEU  59   3.768   9.295  -2.780
  472    HG   LEU  59           HG       LEU  59   1.790   8.338  -1.842
  473   1HD1  LEU  59          HD11      LEU  59   1.692   6.319  -3.240
  474   2HD1  LEU  59          HD12      LEU  59   3.010   5.617  -2.299
  475   3HD1  LEU  59          HD13      LEU  59   1.462   5.960  -1.528
  476   1HD2  LEU  59          HD21      LEU  59   3.876   6.757  -0.431
  477   2HD2  LEU  59          HD22      LEU  59   4.033   8.511  -0.505
  478   3HD2  LEU  59          HD23      LEU  59   2.600   7.785   0.221
  479    H    ASP  60           HN       ASP  60   3.665   8.205  -6.893
  480    HA   ASP  60           HA       ASP  60   4.653  10.960  -6.791
  481   1HB   ASP  60          HB3       ASP  60   6.188   9.271  -7.728
  482   2HB   ASP  60          HB2       ASP  60   4.989   8.875  -8.956
  483    H    LYS  61           HN       LYS  61   3.060   9.015  -9.328
  484    HA   LYS  61           HA       LYS  61   1.415  11.372  -9.897
  485   1HB   LYS  61          HB2       LYS  61   2.398   9.162 -11.668
  486   2HB   LYS  61          HB3       LYS  61   1.129  10.272 -12.167
  487   1HG   LYS  61          HG2       LYS  61   2.597  12.141 -11.993
  488   2HG   LYS  61          HG3       LYS  61   3.854  11.150 -11.250
  489   1HD   LYS  61          HD2       LYS  61   4.100   9.879 -13.296
  490   2HD   LYS  61          HD3       LYS  61   2.784  10.785 -14.045
  491   1HE   LYS  61          HE3       LYS  61   5.017  11.575 -14.738
  492   2HE   LYS  61          HE2       LYS  61   4.063  12.822 -13.934
  493   1HZ   LYS  61          HZ1       LYS  61   5.687  13.078 -12.476
  494   2HZ   LYS  61          HZ2       LYS  61   6.606  11.878 -13.249
  495   3HZ   LYS  61          HZ3       LYS  61   5.554  11.460 -11.987
  496    H    TYR  62           HN       TYR  62   0.240  10.115  -7.912
  497    HA   TYR  62           HA       TYR  62  -2.074   8.920  -9.231
  498   1HB   TYR  62          HB3       TYR  62  -2.270   7.100  -7.811
  499   2HB   TYR  62          HB2       TYR  62  -0.523   7.194  -7.998
  500    HD1  TYR  62           HD1      TYR  62   0.593   8.869  -6.158
  501    HD2  TYR  62           HD2      TYR  62  -3.035   6.695  -5.686
  502    HE1  TYR  62           HE1      TYR  62   0.843   8.991  -3.718
  503    HE2  TYR  62           HE2      TYR  62  -2.787   6.808  -3.243
  504    HH   TYR  62           HH       TYR  62  -0.167   8.653  -1.734
  505    H    ASN  63           HN       ASN  63  -4.056   9.497  -8.277
  506    HA   ASN  63           HA       ASN  63  -3.864  11.718  -6.396
  507   1HB   ASN  63          HB2       ASN  63  -5.151  12.139  -8.452
  508   2HB   ASN  63          HB3       ASN  63  -6.180  10.753  -8.103
  509   1HD2  ASN  63          HD21      ASN  63  -8.093  11.557  -7.687
  510   2HD2  ASN  63          HD22      ASN  63  -8.440  12.917  -6.675
  511    H    ILE  64           HN       ILE  64  -4.949  11.613  -4.405
  512    HA   ILE  64           HA       ILE  64  -6.241   9.063  -3.776
  513    HB   ILE  64           HB       ILE  64  -3.897   8.746  -3.266
  514   1HG1  ILE  64          HG12      ILE  64  -5.487   9.018  -0.712
  515   2HG1  ILE  64          HG13      ILE  64  -5.672   7.695  -1.861
  516   1HG2  ILE  64          HG21      ILE  64  -3.710  10.487  -0.971
  517   2HG2  ILE  64          HG22      ILE  64  -2.594  10.259  -2.317
  518   3HG2  ILE  64          HG23      ILE  64  -3.938  11.390  -2.470
  519   1HD1  ILE  64          HD11      ILE  64  -3.070   8.368  -0.542
  520   2HD1  ILE  64          HD12      ILE  64  -4.233   7.220   0.125
  521   3HD1  ILE  64          HD13      ILE  64  -3.491   6.914  -1.446
  522    H    ARG  65           HN       ARG  65  -7.620   9.044  -2.084
  523    HA   ARG  65           HA       ARG  65  -8.186  11.557  -0.688
  524   1HB   ARG  65          HB2       ARG  65 -10.419   9.786  -1.528
  525   2HB   ARG  65          HB3       ARG  65 -10.451  11.496  -1.160
  526   1HG   ARG  65          HG3       ARG  65  -9.333  11.985  -3.273
  527   2HG   ARG  65          HG2       ARG  65  -9.310  10.263  -3.658
  528   1HD   ARG  65          HD3       ARG  65 -11.155  11.382  -4.788
  529   2HD   ARG  65          HD2       ARG  65 -11.749  10.215  -3.608
  530    HE   ARG  65           HE       ARG  65 -11.566  12.766  -2.424
  531   1HH1  ARG  65          HH11      ARG  65 -13.965  11.534  -5.038
  532   2HH1  ARG  65          HH12      ARG  65 -14.725  11.008  -3.560
  533   1HH2  ARG  65          HH22      ARG  65 -14.131  13.310  -1.717
  534   2HH2  ARG  65          HH21      ARG  65 -14.309  14.198  -3.211
  535    H    GLN  66           HN       GLN  66  -9.764  10.999   1.225
  536    HA   GLN  66           HA       GLN  66  -9.429   8.273   2.180
  537   1HB   GLN  66          HB3       GLN  66  -8.406   8.990   4.324
  538   2HB   GLN  66          HB2       GLN  66  -7.354   9.251   2.940
  539   1HG   GLN  66          HG3       GLN  66  -7.887  11.611   2.939
  540   2HG   GLN  66          HG2       GLN  66  -9.026  11.377   4.262
  541   1HE2  GLN  66          HE21      GLN  66  -6.618   9.314   4.947
  542   2HE2  GLN  66          HE22      GLN  66  -5.695  10.317   6.012
  543    H    HIS  67           HN       HIS  67 -11.095   7.612   3.313
  544    HA   HIS  67           HA       HIS  67 -13.113   9.578   4.116
  545   1HB   HIS  67          HB3       HIS  67 -13.231   6.566   3.855
  546   2HB   HIS  67          HB2       HIS  67 -14.560   7.552   4.454
  547    HD1  HIS  67           HD1      HIS  67 -15.165   9.608   2.585
  548    HD2  HIS  67           HD2      HIS  67 -13.513   6.036   1.243
  549    HE1  HIS  67           HE1      HIS  67 -15.708   9.487   0.129
  550    HE2  HIS  67           HE2      HIS  67 -14.818   7.248  -0.634
  551    H    THR  68           HN       THR  68 -13.898   9.592   6.300
  552    HA   THR  68           HA       THR  68 -12.361   8.004   8.223
  553    HB   THR  68           HB       THR  68 -12.717  10.968   8.657
  554    HG1  THR  68           HG1      THR  68 -10.833   9.650   7.067
  555   1HG2  THR  68          HG21      THR  68 -10.270   9.911   9.649
  556   2HG2  THR  68          HG22      THR  68 -11.601   8.892  10.203
  557   3HG2  THR  68          HG23      THR  68 -11.616  10.625  10.538
  558    H    THR  69           HN       THR  69 -13.463   9.737  10.412
  559    HA   THR  69           HA       THR  69 -15.214   9.736  11.832
  560    HB   THR  69           HB       THR  69 -16.950   9.758   9.357
  561    HG1  THR  69           HG1      THR  69 -15.284  11.711  10.480
  562   1HG2  THR  69          HG21      THR  69 -18.438  11.158  10.680
  563   2HG2  THR  69          HG22      THR  69 -17.370  10.984  12.074
  564   3HG2  THR  69          HG23      THR  69 -18.213   9.576  11.428
  565    H    ASP  70           HN       ASP  70 -14.276   7.437  11.965
  566    HA   ASP  70           HA       ASP  70 -14.790   5.376  12.798
  567   1HB   ASP  70          HB3       ASP  70 -17.097   5.968  13.290
  568   2HB   ASP  70          HB2       ASP  70 -17.538   5.752  11.599
  569    H    GLU  71           HN       GLU  71 -15.881   6.087   9.504
  570    HA   GLU  71           HA       GLU  71 -14.896   3.461   8.682
  571   1HB   GLU  71          HB3       GLU  71 -16.784   5.417   7.473
  572   2HB   GLU  71          HB2       GLU  71 -15.867   4.362   6.409
  573   1HG   GLU  71          HG3       GLU  71 -17.230   3.049   8.666
  574   2HG   GLU  71          HG2       GLU  71 -18.268   3.736   7.418
  575    H    ASP  72           HN       ASP  72 -12.728   3.810   8.766
  576    HA   ASP  72           HA       ASP  72 -11.545   5.951   7.194
  577   1HB   ASP  72          HB2       ASP  72 -10.135   3.704   8.656
  578   2HB   ASP  72          HB3       ASP  72  -9.391   5.155   7.996
  579    H    THR  73           HN       THR  73 -11.054   5.709   5.160
  580    HA   THR  73           HA       THR  73 -10.282   3.127   4.071
  581    HB   THR  73           HB       THR  73 -12.686   4.697   3.089
  582    HG1  THR  73           HG1      THR  73 -12.485   2.749   4.860
  583   1HG2  THR  73          HG21      THR  73 -13.001   3.156   1.353
  584   2HG2  THR  73          HG22      THR  73 -11.734   2.088   1.960
  585   3HG2  THR  73          HG23      THR  73 -11.311   3.652   1.258
  586    H    ILE  74           HN       ILE  74  -8.564   3.498   2.644
  587    HA   ILE  74           HA       ILE  74  -8.141   6.246   1.812
  588    HB   ILE  74           HB       ILE  74  -6.402   3.780   1.914
  589   1HG1  ILE  74          HG12      ILE  74  -6.553   5.177   3.928
  590   2HG1  ILE  74          HG13      ILE  74  -4.931   5.208   3.241
  591   1HG2  ILE  74          HG21      ILE  74  -4.961   6.055   0.912
  592   2HG2  ILE  74          HG22      ILE  74  -5.088   4.422   0.253
  593   3HG2  ILE  74          HG23      ILE  74  -6.296   5.637  -0.167
  594   1HD1  ILE  74          HD11      ILE  74  -5.198   7.388   2.431
  595   2HD1  ILE  74          HD12      ILE  74  -6.949   7.343   2.643
  596   3HD1  ILE  74          HD13      ILE  74  -5.891   7.410   4.054
  597    H    VAL  75           HN       VAL  75  -8.901   6.780  -0.110
  598    HA   VAL  75           HA       VAL  75  -9.298   4.655  -2.107
  599    HB   VAL  75           HB       VAL  75 -10.833   7.170  -1.554
  600   1HG1  VAL  75          HG21      VAL  75 -11.412   5.352  -3.853
  601   2HG1  VAL  75          HG22      VAL  75 -12.067   6.957  -3.529
  602   3HG1  VAL  75          HG23      VAL  75 -10.382   6.776  -4.029
  603   1HG2  VAL  75          HG11      VAL  75 -12.578   5.085  -1.871
  604   2HG2  VAL  75          HG12      VAL  75 -11.222   4.390  -0.983
  605   3HG2  VAL  75          HG13      VAL  75 -12.056   5.809  -0.351
  606    H    LEU  76           HN       LEU  76  -7.798   4.758  -3.680
  607    HA   LEU  76           HA       LEU  76  -6.697   7.378  -4.302
  608   1HB   LEU  76          HB3       LEU  76  -4.974   6.124  -5.591
  609   2HB   LEU  76          HB2       LEU  76  -4.969   5.854  -3.860
  610    HG   LEU  76           HG       LEU  76  -6.511   3.969  -5.518
  611   1HD1  LEU  76          HD21      LEU  76  -4.140   2.738  -5.592
  612   2HD1  LEU  76          HD22      LEU  76  -4.738   3.748  -6.908
  613   3HD1  LEU  76          HD23      LEU  76  -3.602   4.413  -5.733
  614   1HD2  LEU  76          HD11      LEU  76  -5.678   2.368  -3.873
  615   2HD2  LEU  76          HD12      LEU  76  -4.679   3.626  -3.145
  616   3HD2  LEU  76          HD13      LEU  76  -6.437   3.750  -3.081
  617    H    GLN  77           HN       GLN  77  -6.871   8.323  -6.200
  618    HA   GLN  77           HA       GLN  77  -8.720   7.109  -8.133
  619   1HB   GLN  77          HB3       GLN  77  -9.285   9.296  -6.872
  620   2HB   GLN  77          HB2       GLN  77  -8.088  10.046  -7.918
  621   1HG   GLN  77          HG3       GLN  77  -9.363   9.424  -9.880
  622   2HG   GLN  77          HG2       GLN  77 -10.534   8.574  -8.870
  623   1HE2  GLN  77          HE21      GLN  77 -10.057  11.313 -10.535
  624   2HE2  GLN  77          HE22      GLN  77 -10.896  12.478  -9.576
  625    HA   PRO  78           HA       PRO  78  -5.292   6.940 -10.881
  626   1HB   PRO  78          HB3       PRO  78  -6.601   6.363 -13.146
  627   2HB   PRO  78          HB2       PRO  78  -6.434   5.207 -11.817
  628   1HG   PRO  78          HG3       PRO  78  -8.752   6.976 -12.508
  629   2HG   PRO  78          HG2       PRO  78  -8.753   5.260 -12.060
  630   1HD   PRO  78          HD2       PRO  78  -9.330   7.235 -10.296
  631   2HD   PRO  78          HD3       PRO  78  -8.542   5.717  -9.816
  632    H    GLN  79           HN       GLN  79  -4.333   8.902 -11.192
  633    HA   GLN  79           HA       GLN  79  -5.563  10.741 -13.128
  634   1HB   GLN  79          HB3       GLN  79  -3.750  12.328 -12.437
  635   2HB   GLN  79          HB2       GLN  79  -4.866  11.906 -11.148
  636   1HG   GLN  79          HG3       GLN  79  -3.305  10.596 -10.047
  637   2HG   GLN  79          HG2       GLN  79  -2.286  10.439 -11.480
  638   1HE2  GLN  79          HE21      GLN  79  -2.789  13.419 -11.915
  639   2HE2  GLN  79          HE22      GLN  79  -1.525  14.124 -10.968
  640    H    GLU  80           HN       GLU  80  -4.415   8.165 -13.589
  641    HA   GLU  80           HA       GLU  80  -2.546   8.835 -15.729
  642   1HB   GLU  80          HB3       GLU  80  -2.115   6.664 -13.668
  643   2HB   GLU  80          HB2       GLU  80  -1.273   6.697 -15.208
  644   1HG   GLU  80          HG3       GLU  80  -0.487   9.032 -14.504
  645   2HG   GLU  80          HG2       GLU  80  -1.014   8.567 -12.886
  646    HA   PRO  81           HA       PRO  81  -5.554   6.467 -17.976
  647   1HB   PRO  81          HB3       PRO  81  -3.344   6.062 -19.903
  648   2HB   PRO  81          HB2       PRO  81  -4.938   6.776 -20.153
  649   1HG   PRO  81          HG2       PRO  81  -2.742   8.294 -20.079
  650   2HG   PRO  81          HG3       PRO  81  -4.272   8.856 -19.383
  651   1HD   PRO  81          HD3       PRO  81  -1.847   7.776 -18.010
  652   2HD   PRO  81          HD2       PRO  81  -2.925   9.102 -17.526
  653    H    GLY  82           HN       GLY  82  -5.963   4.517 -17.052
  654   1HA   GLY  82          HA1       GLY  82  -5.523   2.118 -17.823
  655   2HA   GLY  82          HA2       GLY  82  -3.886   2.433 -17.259
  656    H    LEU  83           HN       LEU  83  -3.987   3.532 -14.949
  657    HA   LEU  83           HA       LEU  83  -4.666   1.579 -13.110
  658   1HB   LEU  83          HB3       LEU  83  -4.470   4.557 -12.616
  659   2HB   LEU  83          HB2       LEU  83  -4.422   3.321 -11.377
  660    HG   LEU  83           HG       LEU  83  -2.370   3.622 -13.568
  661   1HD1  LEU  83          HD21      LEU  83  -0.981   4.319 -11.449
  662   2HD1  LEU  83          HD22      LEU  83  -1.951   5.503 -12.325
  663   3HD1  LEU  83          HD23      LEU  83  -2.563   4.792 -10.832
  664   1HD2  LEU  83          HD11      LEU  83  -2.059   2.078 -11.019
  665   2HD2  LEU  83          HD12      LEU  83  -2.765   1.342 -12.456
  666   3HD2  LEU  83          HD13      LEU  83  -1.119   1.968 -12.506
  667    HA   PRO  84           HA       PRO  84  -9.037   2.393 -12.578
  668   1HB   PRO  84          HB2       PRO  84  -9.591   0.249 -11.093
  669   2HB   PRO  84          HB3       PRO  84  -9.070   0.064 -12.771
  670   1HG   PRO  84          HG2       PRO  84  -7.582  -0.460 -10.262
  671   2HG   PRO  84          HG3       PRO  84  -7.383  -1.196 -11.859
  672   1HD   PRO  84          HD2       PRO  84  -5.865   0.946 -10.697
  673   2HD   PRO  84          HD3       PRO  84  -5.675   0.221 -12.306
  674    H    SER  85           HN       SER  85 -10.612   2.353 -10.541
  675    HA   SER  85           HA       SER  85  -9.229   3.767  -8.374
  676   1HB   SER  85          HB3       SER  85 -12.210   3.569  -8.868
  677   2HB   SER  85          HB2       SER  85 -11.371   4.684  -7.789
  678    HG   SER  85           HG       SER  85 -10.987   4.633 -10.607
  679    H    PHE  86           HN       PHE  86  -8.589   2.361  -6.871
  680    HA   PHE  86           HA       PHE  86 -10.492   0.261  -6.058
  681   1HB   PHE  86          HB2       PHE  86  -8.885  -1.347  -6.157
  682   2HB   PHE  86          HB3       PHE  86  -8.189  -0.256  -7.345
  683    HD1  PHE  86           HD1      PHE  86  -7.970  -1.402  -3.853
  684    HD2  PHE  86           HD2      PHE  86  -6.061   0.763  -6.981
  685    HE1  PHE  86           HE1      PHE  86  -5.893  -1.341  -2.532
  686    HE2  PHE  86           HE2      PHE  86  -3.986   0.833  -5.661
  687    HZ   PHE  86           HZ       PHE  86  -3.913  -0.221  -3.423
  688    H    ARG  87           HN       ARG  87 -11.063   0.275  -3.897
  689    HA   ARG  87           HA       ARG  87  -9.759   2.179  -2.198
  690   1HB   ARG  87          HB2       ARG  87 -12.190   0.394  -1.981
  691   2HB   ARG  87          HB3       ARG  87 -11.672   1.448  -0.689
  692   1HG   ARG  87          HG3       ARG  87 -13.355   2.635  -1.732
  693   2HG   ARG  87          HG2       ARG  87 -11.877   3.343  -2.381
  694   1HD   ARG  87          HD3       ARG  87 -13.357   3.064  -4.199
  695   2HD   ARG  87          HD2       ARG  87 -12.130   1.808  -4.348
  696    HE   ARG  87           HE       ARG  87 -14.306   0.759  -2.915
  697   1HH1  ARG  87          HH12      ARG  87 -14.113   2.045  -6.354
  698   2HH1  ARG  87          HH11      ARG  87 -13.571   0.407  -6.596
  699   1HH2  ARG  87          HH22      ARG  87 -15.879  -0.536  -3.951
  700   2HH2  ARG  87          HH21      ARG  87 -16.209  -0.272  -5.636
  701    H    ILE  88           HN       ILE  88  -9.986   1.242   0.221
  702    HA   ILE  88           HA       ILE  88  -9.019  -1.445   0.530
  703    HB   ILE  88           HB       ILE  88  -7.215  -0.564   2.196
  704   1HG1  ILE  88          HG12      ILE  88  -7.326   1.719   0.219
  705   2HG1  ILE  88          HG13      ILE  88  -7.697   1.815   1.938
  706   1HG2  ILE  88          HG21      ILE  88  -6.378  -0.351  -0.670
  707   2HG2  ILE  88          HG22      ILE  88  -5.575  -1.144   0.685
  708   3HG2  ILE  88          HG23      ILE  88  -7.007  -1.879  -0.037
  709   1HD1  ILE  88          HD11      ILE  88  -5.366   2.551   1.028
  710   2HD1  ILE  88          HD12      ILE  88  -5.504   1.679   2.560
  711   3HD1  ILE  88          HD13      ILE  88  -5.028   0.820   1.095
  712    H    LYS  89           HN       LYS  89 -10.001  -2.295   2.264
  713    HA   LYS  89           HA       LYS  89 -11.327  -0.372   4.069
  714   1HB   LYS  89          HB2       LYS  89 -12.188  -3.126   3.167
  715   2HB   LYS  89          HB3       LYS  89 -13.014  -2.206   4.416
  716   1HG   LYS  89          HG2       LYS  89 -12.672  -1.377   1.539
  717   2HG   LYS  89          HG3       LYS  89 -14.123  -2.081   2.251
  718   1HD   LYS  89          HD2       LYS  89 -12.902   0.488   3.230
  719   2HD   LYS  89          HD3       LYS  89 -14.153   0.418   1.986
  720   1HE   LYS  89          HE2       LYS  89 -15.586  -0.824   3.589
  721   2HE   LYS  89          HE3       LYS  89 -14.359  -0.556   4.827
  722   1HZ   LYS  89          HZ1       LYS  89 -16.293   1.283   3.695
  723   2HZ   LYS  89          HZ2       LYS  89 -14.742   1.925   3.933
  724   3HZ   LYS  89          HZ3       LYS  89 -15.592   1.258   5.243
  725    HA   PRO  90           HA       PRO  90  -9.393  -2.126   7.617
  726   1HB   PRO  90          HB3       PRO  90 -11.372  -2.079   9.465
  727   2HB   PRO  90          HB2       PRO  90 -10.583  -0.612   8.876
  728   1HG   PRO  90          HG3       PRO  90 -13.210  -1.802   8.088
  729   2HG   PRO  90          HG2       PRO  90 -12.790  -0.106   8.385
  730   1HD   PRO  90          HD2       PRO  90 -12.985  -1.169   5.890
  731   2HD   PRO  90          HD3       PRO  90 -11.890   0.169   6.288
  732    H    LYS  91           HN       LYS  91 -10.152  -4.140   5.877
  733    HA   LYS  91           HA       LYS  91 -11.662  -6.123   7.339
  734   1HB   LYS  91          HB2       LYS  91 -11.579  -5.680   4.767
  735   2HB   LYS  91          HB3       LYS  91 -10.109  -6.640   4.837
  736   1HG   LYS  91          HG2       LYS  91 -12.307  -7.811   4.251
  737   2HG   LYS  91          HG3       LYS  91 -11.237  -8.573   5.432
  738   1HD   LYS  91          HD3       LYS  91 -12.587  -7.698   7.253
  739   2HD   LYS  91          HD2       LYS  91 -13.623  -6.851   6.105
  740   1HE   LYS  91          HE3       LYS  91 -14.429  -8.912   5.206
  741   2HE   LYS  91          HE2       LYS  91 -13.257  -9.840   6.142
  742   1HZ   LYS  91          HZ1       LYS  91 -15.564  -8.295   7.205
  743   2HZ   LYS  91          HZ2       LYS  91 -14.376  -9.009   8.177
  744   3HZ   LYS  91          HZ3       LYS  91 -15.375  -9.978   7.211
  745    H    ASP  92           HN       ASP  92  -9.375  -5.173   8.618
  746    HA   ASP  92           HA       ASP  92  -7.019  -6.592   8.414
  747   1HB   ASP  92          HB3       ASP  92  -8.376  -5.615  10.939
  748   2HB   ASP  92          HB2       ASP  92  -6.687  -6.081  10.816
  749    H    PHE  93           HN       PHE  93  -9.213  -7.184  11.115
  750    HA   PHE  93           HA       PHE  93  -9.534  -9.977  10.633
  751   1HB   PHE  93          HB3       PHE  93  -8.239 -10.447  12.913
  752   2HB   PHE  93          HB2       PHE  93  -7.417 -10.476  11.357
  753    HD1  PHE  93           HD1      PHE  93  -8.343  -7.921  13.936
  754    HD2  PHE  93           HD2      PHE  93  -5.396  -9.444  11.277
  755    HE1  PHE  93           HE1      PHE  93  -6.761  -6.209  14.714
  756    HE2  PHE  93           HE2      PHE  93  -3.806  -7.739  12.055
  757    HZ   PHE  93           HZ       PHE  93  -4.490  -6.115  13.779
  758    H    GLU  94           HN       GLU  94  -9.077  -9.535  13.918
  759    HA   GLU  94           HA       GLU  94 -11.886  -9.612  14.471
  760   1HB   GLU  94          HB3       GLU  94  -9.784  -9.098  16.550
  761   2HB   GLU  94          HB2       GLU  94 -11.279 -10.012  16.691
  762   1HG   GLU  94          HG2       GLU  94 -10.365 -11.830  15.443
  763   2HG   GLU  94          HG3       GLU  94  -8.920 -10.896  15.054
  764    H    THR  95           HN       THR  95  -9.992  -7.675  16.600
  765    HA   THR  95           HA       THR  95 -11.587  -5.306  15.877
  766    HB   THR  95           HB       THR  95 -10.054  -5.793  18.441
  767    HG1  THR  95           HG1      THR  95 -11.595  -7.048  19.069
  768   1HG2  THR  95          HG21      THR  95 -10.977  -3.935  19.282
  769   2HG2  THR  95          HG22      THR  95 -12.508  -4.189  18.445
  770   3HG2  THR  95          HG23      THR  95 -11.139  -3.480  17.587
  771    H    SER  96           HN       SER  96 -10.590  -3.421  15.323
  772    HA   SER  96           HA       SER  96  -7.782  -3.055  15.730
  773   1HB   SER  96          HB2       SER  96  -7.844  -4.610  13.779
  774   2HB   SER  96          HB3       SER  96  -8.816  -3.431  12.900
  775    HG   SER  96           HG       SER  96  -6.475  -3.431  12.495
  776    H    GLU  97           HN       GLU  97  -8.498  -1.590  12.946
  777    HA   GLU  97           HA       GLU  97  -9.349   0.409  12.214
  778   1HB   GLU  97          HB3       GLU  97 -11.235   0.620  13.573
  779   2HB   GLU  97          HB2       GLU  97 -10.282   0.529  15.042
  780   1HG   GLU  97          HG2       GLU  97  -9.344   2.796  14.418
  781   2HG   GLU  97          HG3       GLU  97 -10.566   2.855  13.153
  782    H    TYR  98           HN       TYR  98  -8.171   0.849  15.475
  783    HA   TYR  98           HA       TYR  98  -6.544   3.029  15.165
  784   1HB   TYR  98          HB2       TYR  98  -5.910   0.660  16.935
  785   2HB   TYR  98          HB3       TYR  98  -5.351   2.316  17.163
  786    HD1  TYR  98           HD1      TYR  98  -7.520   4.031  16.933
  787    HD2  TYR  98           HD2      TYR  98  -7.555   0.063  18.459
  788    HE1  TYR  98           HE1      TYR  98  -9.542   4.555  18.226
  789    HE2  TYR  98           HE2      TYR  98  -9.581   0.575  19.753
  790    HH   TYR  98           HH       TYR  98 -11.604   2.654  19.250
  791    H    VAL  99           HN       VAL  99  -5.911  -0.139  14.067
  792    HA   VAL  99           HA       VAL  99  -3.071   0.171  13.609
  793    HB   VAL  99           HB       VAL  99  -4.991  -1.858  12.442
  794   1HG1  VAL  99          HG21      VAL  99  -2.552  -1.215  11.419
  795   2HG1  VAL  99          HG22      VAL  99  -2.133  -2.506  12.548
  796   3HG1  VAL  99          HG23      VAL  99  -3.318  -2.798  11.275
  797   1HG2  VAL  99          HG11      VAL  99  -2.925  -2.590  14.439
  798   2HG2  VAL  99          HG12      VAL  99  -4.341  -1.709  15.017
  799   3HG2  VAL  99          HG13      VAL  99  -4.540  -3.250  14.182
  800    H    ARG 100           HN       ARG 100  -5.958   0.168  11.567
  801    HA   ARG 100           HA       ARG 100  -4.628   0.955   9.165
  802   1HB   ARG 100          HB3       ARG 100  -6.655  -0.340   9.096
  803   2HB   ARG 100          HB2       ARG 100  -7.525   0.894   9.989
  804   1HG   ARG 100          HG2       ARG 100  -7.158   2.432   8.062
  805   2HG   ARG 100          HG3       ARG 100  -6.513   1.051   7.170
  806   1HD   ARG 100          HD3       ARG 100  -8.761   1.128   6.538
  807   2HD   ARG 100          HD2       ARG 100  -8.704  -0.126   7.774
  808    HE   ARG 100           HE       ARG 100 -10.192   2.290   7.859
  809   1HH1  ARG 100          HH12      ARG 100  -8.602   0.001  10.200
  810   2HH1  ARG 100          HH11      ARG 100 -10.198  -0.092  10.868
  811   1HH2  ARG 100          HH21      ARG 100 -11.772   2.018  10.081
  812   2HH2  ARG 100          HH22      ARG 100 -10.557   3.155  10.616
  813    H    LYS 101           HN       LYS 101  -5.918   2.646  11.889
  814    HA   LYS 101           HA       LYS 101  -6.462   5.152  10.682
  815   1HB   LYS 101          HB3       LYS 101  -7.147   4.474  13.001
  816   2HB   LYS 101          HB2       LYS 101  -5.470   4.697  13.489
  817   1HG   LYS 101          HG2       LYS 101  -6.579   6.670  14.060
  818   2HG   LYS 101          HG3       LYS 101  -5.666   7.059  12.613
  819   1HD   LYS 101          HD3       LYS 101  -7.783   8.040  12.303
  820   2HD   LYS 101          HD2       LYS 101  -7.809   6.567  11.330
  821   1HE   LYS 101          HE2       LYS 101  -9.012   5.404  13.100
  822   2HE   LYS 101          HE3       LYS 101  -8.951   6.848  14.108
  823   1HZ   LYS 101          HZ1       LYS 101 -11.088   6.522  12.933
  824   2HZ   LYS 101          HZ2       LYS 101 -10.284   6.728  11.454
  825   3HZ   LYS 101          HZ3       LYS 101 -10.342   8.001  12.576
  826    H    ALA 102           HN       ALA 102  -3.607   3.590  11.931
  827    HA   ALA 102           HA       ALA 102  -1.890   5.850  11.705
  828   1HB   ALA 102          HB1       ALA 102  -1.589   2.969  12.300
  829   2HB   ALA 102          HB2       ALA 102  -0.175   3.783  11.629
  830   3HB   ALA 102          HB3       ALA 102  -0.909   4.376  13.120
  831    H    TRP 103           HN       TRP 103  -2.980   3.296   9.598
  832    HA   TRP 103           HA       TRP 103  -1.049   3.502   7.571
  833   1HB   TRP 103          HB3       TRP 103  -3.822   2.428   7.715
  834   2HB   TRP 103          HB2       TRP 103  -3.125   2.703   6.122
  835    HD1  TRP 103           HD1      TRP 103  -2.598   0.550   9.272
  836    HE1  TRP 103           HE1      TRP 103  -1.149  -1.486   8.617
  837    HE3  TRP 103           HE3      TRP 103  -1.427   1.890   4.494
  838    HZ2  TRP 103           HZ2      TRP 103   0.311  -2.370   6.360
  839    HZ3  TRP 103           HZ3      TRP 103  -0.013   0.409   3.157
  840    HH2  TRP 103           HH2      TRP 103   0.844  -1.679   4.069
  841    H    LEU 104           HN       LEU 104  -4.038   5.325   8.164
  842    HA   LEU 104           HA       LEU 104  -4.057   6.707   5.691
  843   1HB   LEU 104          HB2       LEU 104  -4.898   7.921   8.316
  844   2HB   LEU 104          HB3       LEU 104  -5.561   8.221   6.722
  845    HG   LEU 104           HG       LEU 104  -5.876   5.632   8.246
  846   1HD1  LEU 104          HD11      LEU 104  -7.150   8.112   8.624
  847   2HD1  LEU 104          HD12      LEU 104  -8.310   7.037   7.841
  848   3HD1  LEU 104          HD13      LEU 104  -7.538   6.555   9.354
  849   1HD2  LEU 104          HD21      LEU 104  -6.659   6.549   5.545
  850   2HD2  LEU 104          HD22      LEU 104  -6.258   4.933   6.127
  851   3HD2  LEU 104          HD23      LEU 104  -7.848   5.619   6.455
  852    H    ARG 105           HN       ARG 105  -3.101   7.827   8.869
  853    HA   ARG 105           HA       ARG 105  -1.706  10.070   8.313
  854   1HB   ARG 105          HB3       ARG 105  -0.891   7.996  10.356
  855   2HB   ARG 105          HB2       ARG 105  -0.349   9.669  10.342
  856   1HG   ARG 105          HG3       ARG 105  -2.712  10.381  10.595
  857   2HG   ARG 105          HG2       ARG 105  -3.162   8.680  10.752
  858   1HD   ARG 105          HD2       ARG 105  -1.743   8.461  12.711
  859   2HD   ARG 105          HD3       ARG 105  -1.225  10.139  12.540
  860    HE   ARG 105           HE       ARG 105  -4.034  10.058  12.721
  861   1HH1  ARG 105          HH11      ARG 105  -1.192  10.539  14.852
  862   2HH1  ARG 105          HH12      ARG 105  -1.822   9.232  15.820
  863   1HH2  ARG 105          HH21      ARG 105  -4.377  11.453  15.278
  864   2HH2  ARG 105          HH22      ARG 105  -4.765   9.804  15.680
  865    H    ASP 106           HN       ASP 106  -0.467   6.765   7.929
  866    HA   ASP 106           HA       ASP 106   2.220   7.438   7.371
  867   1HB   ASP 106          HB2       ASP 106   0.515   5.062   6.645
  868   2HB   ASP 106          HB3       ASP 106   2.147   5.227   6.011
  869    H    ILE 107           HN       ILE 107  -0.576   6.942   5.254
  870    HA   ILE 107           HA       ILE 107   0.678   7.432   2.801
  871    HB   ILE 107           HB       ILE 107  -2.102   7.401   3.778
  872   1HG1  ILE 107          HG13      ILE 107  -2.423   5.999   1.777
  873   2HG1  ILE 107          HG12      ILE 107  -0.786   6.374   1.253
  874   1HG2  ILE 107          HG21      ILE 107  -3.070   8.399   1.782
  875   2HG2  ILE 107          HG22      ILE 107  -2.100   9.578   2.664
  876   3HG2  ILE 107          HG23      ILE 107  -1.462   8.829   1.199
  877   1HD1  ILE 107          HD11      ILE 107  -1.739   4.454   3.246
  878   2HD1  ILE 107          HD12      ILE 107  -0.290   4.435   2.239
  879   3HD1  ILE 107          HD13      ILE 107  -0.316   5.382   3.727
  880    H    ALA 108           HN       ALA 108  -0.830   9.672   5.089
  881    HA   ALA 108           HA       ALA 108  -0.612  12.008   3.515
  882   1HB   ALA 108          HB1       ALA 108  -1.864  12.797   5.161
  883   2HB   ALA 108          HB2       ALA 108  -1.591  11.309   6.069
  884   3HB   ALA 108          HB3       ALA 108  -0.499  12.678   6.274
  885    H    GLU 109           HN       GLU 109   1.745  10.252   5.224
  886    HA   GLU 109           HA       GLU 109   3.826  12.058   4.448
  887   1HB   GLU 109          HB3       GLU 109   4.728  12.296   6.813
  888   2HB   GLU 109          HB2       GLU 109   3.313  13.264   6.424
  889   1HG   GLU 109          HG2       GLU 109   1.882  11.695   7.578
  890   2HG   GLU 109          HG3       GLU 109   3.261  10.650   7.908
  891    H    GLU 110           HN       GLU 110   4.271  10.182   3.322
  892    HA   GLU 110           HA       GLU 110   4.698   7.657   4.417
  893   1HB   GLU 110          HB2       GLU 110   5.784   7.112   2.314
  894   2HB   GLU 110          HB3       GLU 110   4.342   8.075   2.019
  895   1HG   GLU 110          HG2       GLU 110   7.003   9.419   2.192
  896   2HG   GLU 110          HG3       GLU 110   6.555   8.554   0.727
  897    H    GLN 111           HN       GLN 111   6.602   6.496   4.771
  898    HA   GLN 111           HA       GLN 111   8.632   6.016   5.490
  899   1HB   GLN 111          HB2       GLN 111   9.299   7.512   3.586
  900   2HB   GLN 111          HB3       GLN 111   9.478   8.803   4.770
  901   1HG   GLN 111          HG3       GLN 111  11.595   8.024   4.757
  902   2HG   GLN 111          HG2       GLN 111  10.891   6.984   5.997
  903   1HE2  GLN 111          HE21      GLN 111  12.806   6.979   3.371
  904   2HE2  GLN 111          HE22      GLN 111  12.530   5.376   2.773
  905    H    GLU 112           HN       GLU 112   8.510   5.704   7.608
  906    HA   GLU 112           HA       GLU 112   7.854   7.663   9.529
  907   1HB   GLU 112          HB2       GLU 112   9.447   5.128   9.925
  908   2HB   GLU 112          HB3       GLU 112   8.651   6.052  11.188
  909   1HG   GLU 112          HG2       GLU 112   6.479   5.513  10.172
  910   2HG   GLU 112          HG3       GLU 112   7.315   4.527   8.968
  911    H    LYS 113           HN       LYS 113  10.865   6.481   8.217
  912    HA   LYS 113           HA       LYS 113  12.657   7.616  10.034
  913   1HB   LYS 113          HB3       LYS 113  12.907   6.787   7.156
  914   2HB   LYS 113          HB2       LYS 113  14.266   7.480   8.025
  915   1HG   LYS 113          HG2       LYS 113  14.472   5.113   8.067
  916   2HG   LYS 113          HG3       LYS 113  14.065   5.653   9.695
  917   1HD   LYS 113          HD2       LYS 113  11.727   5.016   9.317
  918   2HD   LYS 113          HD3       LYS 113  12.146   4.470   7.689
  919   1HE   LYS 113          HE2       LYS 113  13.604   2.777   8.584
  920   2HE   LYS 113          HE3       LYS 113  13.355   3.381  10.222
  921   1HZ   LYS 113          HZ1       LYS 113  12.022   1.345   9.355
  922   2HZ   LYS 113          HZ2       LYS 113  11.022   2.528   8.664
  923   3HZ   LYS 113          HZ3       LYS 113  11.272   2.503  10.340
  924    H    TYR 114           HN       TYR 114  10.916   9.056   7.388
  925    HA   TYR 114           HA       TYR 114  12.580  11.302   6.999
  926   1HB   TYR 114          HB3       TYR 114  10.798  10.603   5.419
  927   2HB   TYR 114          HB2       TYR 114   9.588  11.093   6.600
  928    HD1  TYR 114           HD1      TYR 114   9.512  13.543   7.288
  929    HD2  TYR 114           HD2      TYR 114  11.694  12.161   3.911
  930    HE1  TYR 114           HE1      TYR 114   9.548  15.827   6.390
  931    HE2  TYR 114           HE2      TYR 114  11.739  14.446   3.001
  932    HH   TYR 114           HH       TYR 114   9.762  16.827   3.917
  933    H    ALA 115           HN       ALA 115   9.860  10.676   9.159
  934    HA   ALA 115           HA       ALA 115  10.096  13.317  10.360
  935   1HB   ALA 115          HB1       ALA 115   8.196  12.371  11.822
  936   2HB   ALA 115          HB2       ALA 115   7.861  12.703  10.122
  937   3HB   ALA 115          HB3       ALA 115   8.159  11.049  10.655
  938    H    ALA 116           HN       ALA 116   9.927  10.011  11.635
  939    HA   ALA 116           HA       ALA 116  12.300  10.216  13.175
  940   1HB   ALA 116          HB1       ALA 116   9.690  10.375  14.690
  941   2HB   ALA 116          HB2       ALA 116  11.274  10.098  15.411
  942   3HB   ALA 116          HB3       ALA 116  10.927  11.629  14.608
  943    H    GLU 117           HN       GLU 117  13.019   8.207  12.957
  944    HA   GLU 117           HA       GLU 117  11.188   6.038  12.474
  945   1HB   GLU 117          HB2       GLU 117  13.216   4.666  12.217
  946   2HB   GLU 117          HB3       GLU 117  13.266   6.117  11.227
  947   1HG   GLU 117          HG2       GLU 117  14.701   7.179  12.940
  948   2HG   GLU 117          HG3       GLU 117  14.722   5.648  13.816
  949    H    ARG 118           HN       ARG 118  10.931   4.193  13.716
  950    HA   ARG 118           HA       ARG 118  11.819   4.402  16.510
  951   1HB   ARG 118          HB2       ARG 118   9.104   3.610  15.455
  952   2HB   ARG 118          HB3       ARG 118   9.626   3.274  17.097
  953   1HG   ARG 118          HG3       ARG 118   9.587   5.492  17.716
  954   2HG   ARG 118          HG2       ARG 118   9.734   6.068  16.053
  955   1HD   ARG 118          HD2       ARG 118   7.313   4.647  17.151
  956   2HD   ARG 118          HD3       ARG 118   7.477   6.401  17.065
  957    HE   ARG 118           HE       ARG 118   7.962   5.302  14.524
  958   1HH1  ARG 118          HH11      ARG 118   4.709   4.998  16.299
  959   2HH1  ARG 118          HH12      ARG 118   4.620   6.686  15.880
  960   1HH2  ARG 118          HH21      ARG 118   6.157   4.967  12.970
  961   2HH2  ARG 118          HH22      ARG 118   5.221   6.415  13.208
  962    H    ASP 119           HN       ASP 119  11.311   2.189  17.601
  963    HA   ASP 119           HA       ASP 119  12.105   0.087  17.899
  964   1HB   ASP 119          HB3       ASP 119  10.031  -0.336  16.553
  965   2HB   ASP 119          HB2       ASP 119  11.044  -0.414  15.113
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1  20.308 -12.448   6.303
    2   2H    MET   1          HT2       MET   1  21.358 -12.701   7.636
    3   3H    MET   1          HT3       MET   1  19.781 -13.398   7.625
    4    HA   MET   1           HA       MET   1  22.150 -14.110   6.061
    5   1HB   MET   1          HB3       MET   1  20.159 -15.669   7.737
    6   2HB   MET   1          HB2       MET   1  21.545 -16.367   6.905
    7   1HG   MET   1          HG3       MET   1  23.018 -14.938   8.280
    8   2HG   MET   1          HG2       MET   1  21.592 -14.394   9.173
    9   1HE   MET   1          HE1       MET   1  22.608 -15.707  11.844
   10   2HE   MET   1          HE2       MET   1  23.934 -16.712  11.288
   11   3HE   MET   1          HE3       MET   1  23.717 -15.096  10.620
   12    H    GLY   2           HN       GLY   2  18.827 -15.345   6.375
   13   1HA   GLY   2          HA2       GLY   2  18.838 -15.844   3.504
   14   2HA   GLY   2          HA1       GLY   2  17.730 -16.536   4.671
   15    H    ASP   3           HN       ASP   3  18.567 -13.668   2.889
   16    HA   ASP   3           HA       ASP   3  17.377 -12.001   1.981
   17   1HB   ASP   3          HB2       ASP   3  15.902 -13.721   1.124
   18   2HB   ASP   3          HB3       ASP   3  14.989 -13.742   2.626
   19    H    THR   4           HN       THR   4  17.310 -10.108   2.851
   20    HA   THR   4           HA       THR   4  15.616  -9.638   5.203
   21    HB   THR   4           HB       THR   4  18.334  -8.352   4.841
   22    HG1  THR   4           HG1      THR   4  17.619 -10.654   6.358
   23   1HG2  THR   4          HG21      THR   4  18.193  -7.704   7.111
   24   2HG2  THR   4          HG22      THR   4  16.737  -8.672   7.368
   25   3HG2  THR   4          HG23      THR   4  16.675  -7.235   6.352
   26    H    GLY   5           HN       GLY   5  14.980  -9.323   2.534
   27   1HA   GLY   5          HA1       GLY   5  15.402  -6.596   1.714
   28   2HA   GLY   5          HA2       GLY   5  14.391  -7.789   0.912
   29    H    LYS   6           HN       LYS   6  12.663  -8.464   3.032
   30    HA   LYS   6           HA       LYS   6  11.103  -5.993   3.103
   31   1HB   LYS   6          HB2       LYS   6   9.193  -7.390   3.712
   32   2HB   LYS   6          HB3       LYS   6   9.968  -7.986   2.252
   33   1HG   LYS   6          HG2       LYS   6  11.022  -9.774   3.504
   34   2HG   LYS   6          HG3       LYS   6  10.348  -9.148   5.004
   35   1HD   LYS   6          HD3       LYS   6   8.098  -9.609   4.261
   36   2HD   LYS   6          HD2       LYS   6   8.683 -10.085   2.667
   37   1HE   LYS   6          HE3       LYS   6   9.409 -11.512   5.221
   38   2HE   LYS   6          HE2       LYS   6   8.082 -11.994   4.156
   39   1HZ   LYS   6          HZ1       LYS   6  10.352 -11.699   2.571
   40   2HZ   LYS   6          HZ2       LYS   6   9.534 -13.132   2.976
   41   3HZ   LYS   6          HZ3       LYS   6  10.832 -12.601   3.927
   42    H    LEU   7           HN       LEU   7  13.182  -7.692   5.083
   43    HA   LEU   7           HA       LEU   7  11.909  -7.065   7.599
   44   1HB   LEU   7          HB3       LEU   7  13.544  -9.029   6.943
   45   2HB   LEU   7          HB2       LEU   7  14.782  -7.841   7.349
   46    HG   LEU   7           HG       LEU   7  12.594  -8.750   9.230
   47   1HD1  LEU   7          HD21      LEU   7  14.318 -10.029  10.374
   48   2HD1  LEU   7          HD22      LEU   7  14.096 -10.594   8.724
   49   3HD1  LEU   7          HD23      LEU   7  15.487  -9.587   9.143
   50   1HD2  LEU   7          HD11      LEU   7  14.094  -7.744  10.959
   51   2HD2  LEU   7          HD12      LEU   7  15.027  -7.030   9.646
   52   3HD2  LEU   7          HD13      LEU   7  13.343  -6.581   9.861
   53    H    GLY   8           HN       GLY   8  11.681  -4.800   7.298
   54   1HA   GLY   8          HA1       GLY   8  13.660  -3.220   8.501
   55   2HA   GLY   8          HA2       GLY   8  13.783  -3.013   6.749
   56    H    ARG   9           HN       ARG   9  11.237  -3.171   5.940
   57    HA   ARG   9           HA       ARG   9   9.437  -1.865   5.506
   58   1HB   ARG   9          HB3       ARG   9   9.316  -1.916   8.518
   59   2HB   ARG   9          HB2       ARG   9   7.989  -1.411   7.460
   60   1HG   ARG   9          HG2       ARG   9   7.813  -3.585   6.514
   61   2HG   ARG   9          HG3       ARG   9   9.280  -4.116   7.340
   62   1HD   ARG   9          HD3       ARG   9   6.870  -3.111   8.819
   63   2HD   ARG   9          HD2       ARG   9   7.055  -4.810   8.374
   64    HE   ARG   9           HE       ARG   9   9.344  -3.840   9.766
   65   1HH1  ARG   9          HH12      ARG   9   5.903  -4.780  10.860
   66   2HH1  ARG   9          HH11      ARG   9   6.769  -6.296  10.830
   67   1HH2  ARG   9          HH21      ARG   9   9.575  -5.351  11.870
   68   2HH2  ARG   9          HH22      ARG   9   8.573  -4.279  12.808
   69    H    ILE  10           HN       ILE  10  10.934  -0.196   4.716
   70    HA   ILE  10           HA       ILE  10  11.765   2.012   6.174
   71    HB   ILE  10           HB       ILE  10  12.537   1.491   3.913
   72   1HG1  ILE  10          HG13      ILE  10  12.399   3.919   4.979
   73   2HG1  ILE  10          HG12      ILE  10  13.018   3.664   3.353
   74   1HG2  ILE  10          HG21      ILE  10   9.695   1.778   3.287
   75   2HG2  ILE  10          HG22      ILE  10  10.776   2.563   2.134
   76   3HG2  ILE  10          HG23      ILE  10  10.973   0.847   2.471
   77   1HD1  ILE  10          HD11      ILE  10  11.546   5.135   2.620
   78   2HD1  ILE  10          HD12      ILE  10  10.248   4.044   3.106
   79   3HD1  ILE  10          HD13      ILE  10  10.846   5.273   4.217
   80    H    ILE  11           HN       ILE  11   8.644   1.326   4.663
   81    HA   ILE  11           HA       ILE  11   7.557   3.717   5.993
   82    HB   ILE  11           HB       ILE  11   6.571   2.396   3.455
   83   1HG1  ILE  11          HG13      ILE  11   7.549   5.225   3.945
   84   2HG1  ILE  11          HG12      ILE  11   8.527   3.940   3.225
   85   1HG2  ILE  11          HG21      ILE  11   4.726   3.883   3.442
   86   2HG2  ILE  11          HG22      ILE  11   4.765   3.154   5.049
   87   3HG2  ILE  11          HG23      ILE  11   5.353   4.798   4.807
   88   1HD1  ILE  11          HD11      ILE  11   5.939   4.489   1.950
   89   2HD1  ILE  11          HD12      ILE  11   7.165   5.741   1.817
   90   3HD1  ILE  11          HD13      ILE  11   7.487   4.108   1.230
   91    H    ARG  12           HN       ARG  12   5.785   1.021   4.511
   92    HA   ARG  12           HA       ARG  12   5.145  -0.148   7.106
   93   1HB   ARG  12          HB2       ARG  12   3.222   1.367   5.401
   94   2HB   ARG  12          HB3       ARG  12   2.646  -0.014   6.310
   95   1HG   ARG  12          HG3       ARG  12   3.941   2.421   7.470
   96   2HG   ARG  12          HG2       ARG  12   2.220   2.077   7.433
   97   1HD   ARG  12          HD2       ARG  12   2.489   1.166   9.443
   98   2HD   ARG  12          HD3       ARG  12   3.256  -0.175   8.593
   99    HE   ARG  12           HE       ARG  12   5.272   1.634   8.973
  100   1HH1  ARG  12          HH12      ARG  12   2.948   0.394  11.398
  101   2HH1  ARG  12          HH11      ARG  12   4.206  -0.682  11.933
  102   1HH2  ARG  12          HH22      ARG  12   6.835   0.848  10.907
  103   2HH2  ARG  12          HH21      ARG  12   6.002   1.913  12.015
  104    H    HIS  13           HN       HIS  13   3.212  -1.722   6.659
  105    HA   HIS  13           HA       HIS  13   2.807  -2.929   4.218
  106   1HB   HIS  13          HB2       HIS  13   4.122  -4.816   4.045
  107   2HB   HIS  13          HB3       HIS  13   5.268  -3.601   4.580
  108    HD1  HIS  13           HD1      HIS  13   6.528  -6.011   4.934
  109    HD2  HIS  13           HD2      HIS  13   3.584  -4.984   7.695
  110    HE1  HIS  13           HE1      HIS  13   6.890  -7.522   6.910
  111    HE2  HIS  13           HE2      HIS  13   5.015  -6.989   8.503
  112    H    ASP  14           HN       ASP  14   1.095  -4.330   4.328
  113    HA   ASP  14           HA       ASP  14   0.279  -5.714   6.672
  114   1HB   ASP  14          HB3       ASP  14  -0.181  -3.128   7.120
  115   2HB   ASP  14          HB2       ASP  14  -1.614  -3.428   6.135
  116    H    ALA  15           HN       ALA  15  -2.450  -5.901   6.246
  117    HA   ALA  15           HA       ALA  15  -2.707  -6.549   3.386
  118   1HB   ALA  15          HB1       ALA  15  -3.810  -8.722   4.133
  119   2HB   ALA  15          HB2       ALA  15  -2.056  -8.616   4.292
  120   3HB   ALA  15          HB3       ALA  15  -3.089  -8.424   5.704
  121    H    PHE  16           HN       PHE  16  -4.786  -6.450   2.546
  122    HA   PHE  16           HA       PHE  16  -6.998  -5.792   4.348
  123   1HB   PHE  16          HB2       PHE  16  -6.164  -4.102   1.988
  124   2HB   PHE  16          HB3       PHE  16  -7.718  -3.953   2.805
  125    HD1  PHE  16           HD1      PHE  16  -7.620  -3.537   5.383
  126    HD2  PHE  16           HD2      PHE  16  -4.374  -2.843   2.719
  127    HE1  PHE  16           HE1      PHE  16  -6.584  -2.038   7.046
  128    HE2  PHE  16           HE2      PHE  16  -3.331  -1.344   4.373
  129    HZ   PHE  16           HZ       PHE  16  -4.437  -0.934   6.539
  130    H    GLN  17           HN       GLN  17  -9.069  -6.087   3.396
  131    HA   GLN  17           HA       GLN  17  -9.054  -7.661   0.920
  132   1HB   GLN  17          HB3       GLN  17  -9.296  -9.192   2.862
  133   2HB   GLN  17          HB2       GLN  17 -10.712  -8.291   3.370
  134   1HG   GLN  17          HG2       GLN  17 -11.904  -8.944   1.389
  135   2HG   GLN  17          HG3       GLN  17 -10.467  -9.702   0.723
  136   1HE2  GLN  17          HE21      GLN  17 -10.778 -11.801   0.692
  137   2HE2  GLN  17          HE22      GLN  17 -11.451 -12.754   1.980
  138    H    VAL  18           HN       VAL  18  -9.688  -5.988  -0.241
  139    HA   VAL  18           HA       VAL  18 -12.403  -4.979   0.229
  140    HB   VAL  18           HB       VAL  18 -11.154  -2.825  -0.883
  141   1HG1  VAL  18          HG21      VAL  18 -11.997  -3.584   1.864
  142   2HG1  VAL  18          HG22      VAL  18 -11.234  -2.034   1.595
  143   3HG1  VAL  18          HG23      VAL  18 -12.712  -2.428   0.740
  144   1HG2  VAL  18          HG11      VAL  18  -9.023  -2.601  -0.270
  145   2HG2  VAL  18          HG12      VAL  18  -9.320  -3.261   1.343
  146   3HG2  VAL  18          HG13      VAL  18  -9.049  -4.339  -0.030
  147    H    TRP  19           HN       TRP  19 -12.721  -3.321  -1.770
  148    HA   TRP  19           HA       TRP  19 -12.840  -5.102  -4.045
  149   1HB   TRP  19          HB2       TRP  19 -14.023  -2.354  -3.738
  150   2HB   TRP  19          HB3       TRP  19 -14.534  -3.624  -4.837
  151    HD1  TRP  19           HD1      TRP  19 -16.019  -5.622  -3.798
  152    HE1  TRP  19           HE1      TRP  19 -17.462  -5.736  -1.664
  153    HE3  TRP  19           HE3      TRP  19 -14.033  -1.645  -1.264
  154    HZ2  TRP  19           HZ2      TRP  19 -17.714  -4.324   0.762
  155    HZ3  TRP  19           HZ3      TRP  19 -14.924  -1.090   0.958
  156    HH2  TRP  19           HH2      TRP  19 -16.728  -2.414   1.950
  157    H    GLU  20           HN       GLU  20 -11.583  -4.992  -5.696
  158    HA   GLU  20           HA       GLU  20  -9.920  -2.621  -6.270
  159   1HB   GLU  20          HB2       GLU  20  -9.175  -5.219  -5.945
  160   2HB   GLU  20          HB3       GLU  20  -9.527  -5.217  -7.681
  161   1HG   GLU  20          HG2       GLU  20  -7.836  -3.667  -8.131
  162   2HG   GLU  20          HG3       GLU  20  -7.657  -3.234  -6.418
  163    H    GLY  21           HN       GLY  21 -10.631  -1.389  -8.182
  164   1HA   GLY  21          HA1       GLY  21 -12.977  -2.012  -9.444
  165   2HA   GLY  21          HA2       GLY  21 -11.735  -0.954 -10.085
  166    H    ASP  22           HN       ASP  22 -13.630  -3.248 -10.954
  167    HA   ASP  22           HA       ASP  22 -13.759  -4.653 -12.709
  168   1HB   ASP  22          HB2       ASP  22 -10.990  -3.618 -13.335
  169   2HB   ASP  22          HB3       ASP  22 -11.878  -4.756 -14.357
  170    H    GLU  23           HN       GLU  23 -12.454  -5.263 -10.068
  171    HA   GLU  23           HA       GLU  23 -11.605  -7.975 -10.782
  172   1HB   GLU  23          HB2       GLU  23 -10.044  -5.986  -9.161
  173   2HB   GLU  23          HB3       GLU  23  -9.888  -7.701  -8.834
  174   1HG   GLU  23          HG2       GLU  23  -9.451  -6.535 -11.560
  175   2HG   GLU  23          HG3       GLU  23  -8.167  -6.671 -10.374
  176    HA   PRO  24           HA       PRO  24 -14.369  -8.839  -7.428
  177   1HB   PRO  24          HB2       PRO  24 -13.583 -11.303  -6.665
  178   2HB   PRO  24          HB3       PRO  24 -14.349 -11.023  -8.250
  179   1HG   PRO  24          HG3       PRO  24 -11.421 -11.244  -7.579
  180   2HG   PRO  24          HG2       PRO  24 -12.328 -12.070  -8.865
  181   1HD   PRO  24          HD3       PRO  24 -10.883  -9.849  -9.351
  182   2HD   PRO  24          HD2       PRO  24 -12.421 -10.180 -10.206
  183    HA   PRO  25           HA       PRO  25 -12.436  -7.582  -3.626
  184   1HB   PRO  25          HB3       PRO  25 -13.771  -9.290  -1.862
  185   2HB   PRO  25          HB2       PRO  25 -14.329  -7.701  -2.370
  186   1HG   PRO  25          HG3       PRO  25 -15.138 -10.390  -3.347
  187   2HG   PRO  25          HG2       PRO  25 -16.102  -8.909  -3.179
  188   1HD   PRO  25          HD2       PRO  25 -15.226  -9.802  -5.572
  189   2HD   PRO  25          HD3       PRO  25 -15.387  -8.073  -5.206
  190    H    LYS  26           HN       LYS  26 -10.597  -8.207  -2.555
  191    HA   LYS  26           HA       LYS  26  -9.997 -11.017  -2.239
  192   1HB   LYS  26          HB2       LYS  26  -7.958 -10.935  -3.566
  193   2HB   LYS  26          HB3       LYS  26  -9.359 -10.547  -4.564
  194   1HG   LYS  26          HG3       LYS  26  -8.860  -8.166  -4.326
  195   2HG   LYS  26          HG2       LYS  26  -7.449  -8.574  -3.350
  196   1HD   LYS  26          HD3       LYS  26  -6.584  -8.180  -5.481
  197   2HD   LYS  26          HD2       LYS  26  -6.675  -9.944  -5.368
  198   1HE   LYS  26          HE3       LYS  26  -8.598 -10.015  -6.743
  199   2HE   LYS  26          HE2       LYS  26  -8.845  -8.274  -6.624
  200   1HZ   LYS  26          HZ1       LYS  26  -7.749  -9.254  -8.744
  201   2HZ   LYS  26          HZ2       LYS  26  -6.352  -9.313  -7.789
  202   3HZ   LYS  26          HZ3       LYS  26  -7.104  -7.831  -8.051
  203    H    LEU  27           HN       LEU  27  -8.204 -11.454  -0.954
  204    HA   LEU  27           HA       LEU  27  -7.500  -9.335   0.903
  205   1HB   LEU  27          HB3       LEU  27  -8.098 -11.583   1.732
  206   2HB   LEU  27          HB2       LEU  27  -6.765 -12.264   0.842
  207    HG   LEU  27           HG       LEU  27  -5.159 -11.185   2.285
  208   1HD1  LEU  27          HD21      LEU  27  -5.789  -9.793   4.165
  209   2HD1  LEU  27          HD22      LEU  27  -6.360  -9.085   2.660
  210   3HD1  LEU  27          HD23      LEU  27  -7.494  -9.919   3.705
  211   1HD2  LEU  27          HD11      LEU  27  -5.689 -12.244   4.413
  212   2HD2  LEU  27          HD12      LEU  27  -7.347 -12.450   3.907
  213   3HD2  LEU  27          HD13      LEU  27  -6.072 -13.298   3.063
  214    H    ARG  28           HN       ARG  28  -6.280  -8.042  -0.526
  215    HA   ARG  28           HA       ARG  28  -3.832  -9.187  -1.618
  216   1HB   ARG  28          HB3       ARG  28  -3.672  -7.305  -3.010
  217   2HB   ARG  28          HB2       ARG  28  -5.395  -7.653  -2.959
  218   1HG   ARG  28          HG3       ARG  28  -4.038  -5.590  -1.246
  219   2HG   ARG  28          HG2       ARG  28  -4.750  -5.244  -2.815
  220   1HD   ARG  28          HD3       ARG  28  -6.211  -6.242  -0.358
  221   2HD   ARG  28          HD2       ARG  28  -6.275  -4.623  -1.043
  222    HE   ARG  28           HE       ARG  28  -7.801  -6.883  -1.864
  223   1HH1  ARG  28          HH12      ARG  28  -6.964  -3.517  -3.206
  224   2HH1  ARG  28          HH11      ARG  28  -6.426  -4.526  -4.545
  225   1HH2  ARG  28          HH22      ARG  28  -9.640  -5.880  -3.520
  226   2HH2  ARG  28          HH21      ARG  28  -8.593  -6.096  -4.890
  227    H    TYR  29           HN       TYR  29  -1.776  -8.274  -1.167
  228    HA   TYR  29           HA       TYR  29  -1.662  -7.151   1.528
  229   1HB   TYR  29          HB2       TYR  29   0.448  -8.469  -0.175
  230   2HB   TYR  29          HB3       TYR  29   0.758  -7.774   1.408
  231    HD1  TYR  29           HD1      TYR  29   1.635 -10.199   1.644
  232    HD2  TYR  29           HD2      TYR  29  -2.488  -9.205   1.373
  233    HE1  TYR  29           HE1      TYR  29   1.059 -12.328   2.716
  234    HE2  TYR  29           HE2      TYR  29  -3.078 -11.335   2.454
  235    HH   TYR  29           HH       TYR  29  -0.567 -13.504   3.696
  236    H    VAL  30           HN       VAL  30  -0.643  -5.313   2.039
  237    HA   VAL  30           HA       VAL  30   0.061  -3.531  -0.213
  238    HB   VAL  30           HB       VAL  30  -1.033  -2.629   2.441
  239   1HG1  VAL  30          HG21      VAL  30   0.266  -0.959   1.179
  240   2HG1  VAL  30          HG22      VAL  30  -0.828  -1.167  -0.184
  241   3HG1  VAL  30          HG23      VAL  30  -1.428  -0.517   1.341
  242   1HG2  VAL  30          HG11      VAL  30  -2.425  -3.524  -0.021
  243   2HG2  VAL  30          HG12      VAL  30  -2.895  -3.696   1.673
  244   3HG2  VAL  30          HG13      VAL  30  -3.092  -2.151   0.850
  245    H    PHE  31           HN       PHE  31   2.170  -3.076  -0.303
  246    HA   PHE  31           HA       PHE  31   3.615  -2.708   2.254
  247   1HB   PHE  31          HB2       PHE  31   4.904  -3.728  -0.274
  248   2HB   PHE  31          HB3       PHE  31   5.558  -3.763   1.358
  249    HD1  PHE  31           HD1      PHE  31   3.432  -5.403  -1.088
  250    HD2  PHE  31           HD2      PHE  31   4.763  -5.467   2.956
  251    HE1  PHE  31           HE1      PHE  31   2.632  -7.716  -0.861
  252    HE2  PHE  31           HE2      PHE  31   3.964  -7.782   3.186
  253    HZ   PHE  31           HZ       PHE  31   2.903  -8.906   1.276
  254    H    LEU  32           HN       LEU  32   4.072  -0.520   2.391
  255    HA   LEU  32           HA       LEU  32   4.547   0.876  -0.139
  256   1HB   LEU  32          HB2       LEU  32   4.683   2.405   2.391
  257   2HB   LEU  32          HB3       LEU  32   3.956   2.819   0.846
  258    HG   LEU  32           HG       LEU  32   2.726   0.980   2.902
  259   1HD1  LEU  32          HD11      LEU  32   1.217   3.337   2.443
  260   2HD1  LEU  32          HD12      LEU  32   2.034   2.837   3.931
  261   3HD1  LEU  32          HD13      LEU  32   2.874   3.832   2.742
  262   1HD2  LEU  32          HD21      LEU  32   1.185   0.449   1.381
  263   2HD2  LEU  32          HD22      LEU  32   0.963   2.138   0.929
  264   3HD2  LEU  32          HD23      LEU  32   2.232   1.183   0.166
  265    H    PHE  33           HN       PHE  33   6.573   0.968  -0.848
  266    HA   PHE  33           HA       PHE  33   8.743   1.270   1.129
  267   1HB   PHE  33          HB3       PHE  33   8.483  -0.748  -1.061
  268   2HB   PHE  33          HB2       PHE  33  10.082  -0.145  -0.645
  269    HD1  PHE  33           HD1      PHE  33   7.052  -1.335   1.229
  270    HD2  PHE  33           HD2      PHE  33  11.275  -1.482   0.743
  271    HE1  PHE  33           HE1      PHE  33   7.209  -2.932   3.090
  272    HE2  PHE  33           HE2      PHE  33  11.432  -3.077   2.604
  273    HZ   PHE  33           HZ       PHE  33   9.398  -3.800   3.777
  274    H    ARG  34           HN       ARG  34  10.155   2.785   0.733
  275    HA   ARG  34           HA       ARG  34  11.290   4.499  -0.175
  276   1HB   ARG  34          HB2       ARG  34  11.693   2.406  -1.858
  277   2HB   ARG  34          HB3       ARG  34  11.029   3.594  -2.971
  278   1HG   ARG  34          HG2       ARG  34  13.390   4.066  -1.152
  279   2HG   ARG  34          HG3       ARG  34  13.500   3.612  -2.857
  280   1HD   ARG  34          HD2       ARG  34  12.549   5.658  -3.564
  281   2HD   ARG  34          HD3       ARG  34  12.048   6.080  -1.918
  282    HE   ARG  34           HE       ARG  34  14.842   5.785  -1.937
  283   1HH1  ARG  34          HH12      ARG  34  12.479   8.492  -2.926
  284   2HH1  ARG  34          HH11      ARG  34  13.553   8.427  -4.310
  285   1HH2  ARG  34          HH22      ARG  34  16.233   7.640  -2.047
  286   2HH2  ARG  34          HH21      ARG  34  15.536   9.178  -2.471
  287    H    ASN  35           HN       ASN  35   9.645   4.121  -3.223
  288    HA   ASN  35           HA       ASN  35   7.982   6.481  -2.651
  289   1HB   ASN  35          HB2       ASN  35   8.470   7.259  -5.011
  290   2HB   ASN  35          HB3       ASN  35   9.832   7.388  -3.904
  291   1HD2  ASN  35          HD21      ASN  35  11.579   7.084  -5.090
  292   2HD2  ASN  35          HD22      ASN  35  11.811   5.819  -6.253
  293    H    LYS  36           HN       LYS  36   7.382   3.559  -2.834
  294    HA   LYS  36           HA       LYS  36   5.158   3.846  -4.653
  295   1HB   LYS  36          HB3       LYS  36   5.688   1.747  -5.897
  296   2HB   LYS  36          HB2       LYS  36   6.755   3.099  -6.266
  297   1HG   LYS  36          HG3       LYS  36   8.304   1.442  -6.076
  298   2HG   LYS  36          HG2       LYS  36   8.253   1.958  -4.399
  299   1HD   LYS  36          HD3       LYS  36   6.672   0.160  -3.889
  300   2HD   LYS  36          HD2       LYS  36   6.729  -0.370  -5.560
  301   1HE   LYS  36          HE3       LYS  36   9.072  -0.300  -3.666
  302   2HE   LYS  36          HE2       LYS  36   8.157  -1.741  -4.113
  303   1HZ   LYS  36          HZ1       LYS  36   9.030  -1.762  -6.225
  304   2HZ   LYS  36          HZ2       LYS  36  10.352  -1.208  -5.327
  305   3HZ   LYS  36          HZ3       LYS  36   9.420  -0.112  -6.219
  306    H    ILE  37           HN       ILE  37   3.720   1.966  -4.648
  307    HA   ILE  37           HA       ILE  37   3.722   0.681  -1.994
  308    HB   ILE  37           HB       ILE  37   1.407   1.345  -3.822
  309   1HG1  ILE  37          HG13      ILE  37   2.067   2.336  -1.049
  310   2HG1  ILE  37          HG12      ILE  37   2.347   3.237  -2.534
  311   1HG2  ILE  37          HG21      ILE  37   1.514  -0.310  -1.324
  312   2HG2  ILE  37          HG22      ILE  37   0.045   0.543  -1.802
  313   3HG2  ILE  37          HG23      ILE  37   0.756  -0.683  -2.865
  314   1HD1  ILE  37          HD11      ILE  37  -0.326   2.369  -1.464
  315   2HD1  ILE  37          HD12      ILE  37   0.342   4.009  -1.448
  316   3HD1  ILE  37          HD13      ILE  37  -0.059   3.220  -2.981
  317    H    MET  38           HN       MET  38   4.450  -1.316  -2.174
  318    HA   MET  38           HA       MET  38   4.259  -2.829  -4.613
  319   1HB   MET  38          HB3       MET  38   6.232  -2.982  -3.094
  320   2HB   MET  38          HB2       MET  38   5.186  -3.707  -1.867
  321   1HG   MET  38          HG2       MET  38   4.739  -5.584  -3.358
  322   2HG   MET  38          HG3       MET  38   5.793  -4.875  -4.573
  323   1HE   MET  38          HE1       MET  38   6.357  -7.237  -4.531
  324   2HE   MET  38          HE2       MET  38   8.070  -7.413  -4.170
  325   3HE   MET  38          HE3       MET  38   6.862  -8.148  -3.114
  326    H    PHE  39           HN       PHE  39   2.691  -4.180  -5.149
  327    HA   PHE  39           HA       PHE  39   0.738  -4.939  -3.081
  328   1HB   PHE  39          HB3       PHE  39   0.433  -3.535  -5.510
  329   2HB   PHE  39          HB2       PHE  39  -0.318  -5.101  -5.745
  330    HD1  PHE  39           HD1      PHE  39  -0.142  -2.985  -2.695
  331    HD2  PHE  39           HD2      PHE  39  -2.569  -4.693  -5.730
  332    HE1  PHE  39           HE1      PHE  39  -2.142  -2.159  -1.544
  333    HE2  PHE  39           HE2      PHE  39  -4.599  -3.876  -4.585
  334    HZ   PHE  39           HZ       PHE  39  -4.371  -2.618  -2.471
  335    H    THR  40           HN       THR  40   0.314  -7.020  -2.816
  336    HA   THR  40           HA       THR  40   1.079  -8.949  -4.881
  337    HB   THR  40           HB       THR  40   1.714  -9.358  -1.950
  338    HG1  THR  40           HG1      THR  40   3.054  -7.886  -3.744
  339   1HG2  THR  40          HG21      THR  40   2.290 -10.909  -4.429
  340   2HG2  THR  40          HG22      THR  40   1.625 -11.462  -2.891
  341   3HG2  THR  40          HG23      THR  40   3.327 -11.042  -3.007
  342    H    GLU  41           HN       GLU  41  -0.475 -10.507  -5.149
  343    HA   GLU  41           HA       GLU  41  -2.781 -10.335  -3.343
  344   1HB   GLU  41          HB2       GLU  41  -2.471 -11.215  -6.207
  345   2HB   GLU  41          HB3       GLU  41  -3.952 -11.488  -5.286
  346   1HG   GLU  41          HG3       GLU  41  -4.321  -9.155  -5.033
  347   2HG   GLU  41          HG2       GLU  41  -2.719  -8.771  -5.658
  348    H    GLN  42           HN       GLN  42  -3.284 -11.896  -2.059
  349    HA   GLN  42           HA       GLN  42  -2.653 -14.668  -2.670
  350   1HB   GLN  42          HB2       GLN  42  -1.657 -13.166  -0.276
  351   2HB   GLN  42          HB3       GLN  42  -2.073 -14.874  -0.117
  352   1HG   GLN  42          HG3       GLN  42  -0.469 -15.452  -1.835
  353   2HG   GLN  42          HG2       GLN  42  -0.088 -13.742  -2.078
  354   1HE2  GLN  42          HE21      GLN  42   0.572 -16.544  -0.320
  355   2HE2  GLN  42          HE22      GLN  42   1.577 -15.870   0.898
  356    H    ASP  43           HN       ASP  43  -4.821 -14.800  -3.096
  357    HA   ASP  43           HA       ASP  43  -6.583 -14.531  -0.801
  358   1HB   ASP  43          HB2       ASP  43  -6.936 -13.009  -2.862
  359   2HB   ASP  43          HB3       ASP  43  -7.499 -14.479  -3.660
  360    H    ALA  44           HN       ALA  44  -7.981 -16.174  -0.413
  361    HA   ALA  44           HA       ALA  44  -8.772 -18.236  -0.321
  362   1HB   ALA  44          HB1       ALA  44  -9.522 -19.155  -2.197
  363   2HB   ALA  44          HB2       ALA  44  -8.783 -17.791  -3.014
  364   3HB   ALA  44          HB3       ALA  44  -7.898 -19.298  -2.874
  365    H    SER  45           HN       SER  45  -7.717 -19.349   1.152
  366    HA   SER  45           HA       SER  45  -4.944 -19.994   0.857
  367   1HB   SER  45          HB2       SER  45  -5.349 -21.133   3.097
  368   2HB   SER  45          HB3       SER  45  -5.643 -19.414   3.031
  369    HG   SER  45           HG       SER  45  -7.513 -19.972   3.851
  370    H    THR  46           HN       THR  46  -7.513 -21.382  -0.541
  371    HA   THR  46           HA       THR  46  -6.494 -24.127  -0.227
  372    HB   THR  46           HB       THR  46  -8.656 -24.769  -1.377
  373    HG1  THR  46           HG1      THR  46  -9.916 -23.263  -2.088
  374   1HG2  THR  46          HG21      THR  46  -8.963 -25.136   0.829
  375   2HG2  THR  46          HG22      THR  46 -10.113 -23.827   0.615
  376   3HG2  THR  46          HG23      THR  46  -8.523 -23.488   1.271
  377    H    SER  47           HN       SER  47  -7.911 -22.121  -2.773
  378    HA   SER  47           HA       SER  47  -5.753 -22.947  -4.600
  379   1HB   SER  47          HB3       SER  47  -7.815 -24.192  -5.172
  380   2HB   SER  47          HB2       SER  47  -8.706 -22.675  -5.289
  381    HG   SER  47           HG       SER  47  -7.821 -23.669  -7.303
  382    HA   PRO  48           HA       PRO  48  -5.892 -18.340  -4.201
  383   1HB   PRO  48          HB2       PRO  48  -3.136 -18.493  -5.204
  384   2HB   PRO  48          HB3       PRO  48  -3.748 -17.773  -3.730
  385   1HG   PRO  48          HG3       PRO  48  -2.294 -20.055  -3.765
  386   2HG   PRO  48          HG2       PRO  48  -3.518 -19.691  -2.510
  387   1HD   PRO  48          HD2       PRO  48  -3.670 -21.531  -4.867
  388   2HD   PRO  48          HD3       PRO  48  -4.411 -21.687  -3.253
  389    HA   PRO  49           HA       PRO  49  -6.336 -18.147  -8.688
  390   1HB   PRO  49          HB2       PRO  49  -8.720 -16.838  -8.661
  391   2HB   PRO  49          HB3       PRO  49  -8.568 -18.581  -8.459
  392   1HG   PRO  49          HG2       PRO  49  -9.357 -16.592  -6.509
  393   2HG   PRO  49          HG3       PRO  49  -9.443 -18.359  -6.390
  394   1HD   PRO  49          HD3       PRO  49  -7.446 -16.523  -5.294
  395   2HD   PRO  49          HD2       PRO  49  -7.731 -18.236  -4.925
  396    H    SER  50           HN       SER  50  -6.423 -15.611  -6.310
  397    HA   SER  50           HA       SER  50  -6.063 -13.582  -8.380
  398   1HB   SER  50          HB3       SER  50  -6.396 -13.109  -5.425
  399   2HB   SER  50          HB2       SER  50  -6.625 -11.965  -6.736
  400    HG   SER  50           HG       SER  50  -8.365 -13.446  -7.452
  401    H    TYR  51           HN       TYR  51  -4.114 -13.025  -8.926
  402    HA   TYR  51           HA       TYR  51  -2.042 -12.652  -6.911
  403   1HB   TYR  51          HB3       TYR  51  -1.927 -15.043  -8.063
  404   2HB   TYR  51          HB2       TYR  51  -1.227 -14.124  -9.400
  405    HD1  TYR  51           HD1      TYR  51   0.536 -12.226  -8.316
  406    HD2  TYR  51           HD2      TYR  51  -0.296 -16.121  -6.833
  407    HE1  TYR  51           HE1      TYR  51   2.742 -12.278  -7.236
  408    HE2  TYR  51           HE2      TYR  51   1.901 -16.171  -5.738
  409    HH   TYR  51           HH       TYR  51   3.783 -15.120  -5.355
  410    H    THR  52           HN       THR  52  -2.896 -12.617 -10.305
  411    HA   THR  52           HA       THR  52  -2.449 -11.262 -12.055
  412    HB   THR  52           HB       THR  52  -2.684  -8.881 -10.294
  413    HG1  THR  52           HG1      THR  52  -4.252  -9.816  -9.257
  414   1HG2  THR  52          HG21      THR  52  -2.878  -9.055 -12.914
  415   2HG2  THR  52          HG22      THR  52  -3.869  -7.942 -11.976
  416   3HG2  THR  52          HG23      THR  52  -4.534  -9.516 -12.521
  417    H    HIS  53           HN       HIS  53  -0.090 -12.062 -11.739
  418    HA   HIS  53           HA       HIS  53   2.148 -11.648 -11.910
  419   1HB   HIS  53          HB2       HIS  53   1.412  -8.814 -12.642
  420   2HB   HIS  53          HB3       HIS  53   2.794  -9.756 -13.188
  421    HD1  HIS  53           HD1      HIS  53   1.843 -12.083 -14.598
  422    HD2  HIS  53           HD2      HIS  53  -0.414  -8.587 -14.569
  423    HE1  HIS  53           HE1      HIS  53   0.289 -12.257 -16.575
  424    HE2  HIS  53           HE2      HIS  53  -1.094 -10.147 -16.509
  425    H    TYR  54           HN       TYR  54   2.703  -8.510 -11.555
  426    HA   TYR  54           HA       TYR  54   2.882  -8.545  -8.628
  427   1HB   TYR  54          HB3       TYR  54   5.026  -8.028 -10.644
  428   2HB   TYR  54          HB2       TYR  54   5.029  -7.084  -9.156
  429    HD1  TYR  54           HD1      TYR  54   4.679 -10.661 -10.210
  430    HD2  TYR  54           HD2      TYR  54   6.250  -7.879  -7.413
  431    HE1  TYR  54           HE1      TYR  54   5.807 -12.499  -9.026
  432    HE2  TYR  54           HE2      TYR  54   7.379  -9.701  -6.219
  433    HH   TYR  54           HH       TYR  54   7.943 -12.658  -7.495
  434    H    SER  55           HN       SER  55   1.074  -7.211  -8.466
  435    HA   SER  55           HA       SER  55   0.668  -4.890 -10.017
  436   1HB   SER  55          HB2       SER  55  -1.127  -6.043  -8.782
  437   2HB   SER  55          HB3       SER  55  -0.377  -5.582  -7.260
  438    HG   SER  55           HG       SER  55  -1.975  -4.125  -7.664
  439    H    SER  56           HN       SER  56   1.386  -2.815  -9.769
  440    HA   SER  56           HA       SER  56   2.851  -2.151  -7.310
  441   1HB   SER  56          HB2       SER  56   4.472  -2.935  -9.051
  442   2HB   SER  56          HB3       SER  56   3.933  -1.614 -10.090
  443    HG   SER  56           HG       SER  56   5.616  -0.733  -9.079
  444    H    ILE  57           HN       ILE  57   2.412  -0.218  -6.572
  445    HA   ILE  57           HA       ILE  57   0.932   1.677  -8.282
  446    HB   ILE  57           HB       ILE  57   0.717   0.953  -5.378
  447   1HG1  ILE  57          HG13      ILE  57  -0.798   0.032  -7.199
  448   2HG1  ILE  57          HG12      ILE  57  -1.609   0.775  -5.815
  449   1HG2  ILE  57          HG21      ILE  57  -0.900   3.200  -5.692
  450   2HG2  ILE  57          HG22      ILE  57   0.555   3.071  -4.709
  451   3HG2  ILE  57          HG23      ILE  57   0.667   3.658  -6.370
  452   1HD1  ILE  57          HD11      ILE  57  -2.775   1.928  -7.309
  453   2HD1  ILE  57          HD12      ILE  57  -1.317   2.861  -7.590
  454   3HD1  ILE  57          HD13      ILE  57  -1.690   1.486  -8.622
  455    H    ARG  58           HN       ARG  58   1.756   3.780  -8.426
  456    HA   ARG  58           HA       ARG  58   4.420   4.121  -7.304
  457   1HB   ARG  58          HB2       ARG  58   4.673   5.919  -8.859
  458   2HB   ARG  58          HB3       ARG  58   3.949   4.571  -9.715
  459   1HG   ARG  58          HG3       ARG  58   1.758   5.637  -9.561
  460   2HG   ARG  58          HG2       ARG  58   2.477   6.992  -8.668
  461   1HD   ARG  58          HD3       ARG  58   2.740   6.262 -11.542
  462   2HD   ARG  58          HD2       ARG  58   2.436   7.831 -10.810
  463    HE   ARG  58           HE       ARG  58   5.026   6.706 -10.241
  464   1HH1  ARG  58          HH11      ARG  58   3.387   9.130 -12.491
  465   2HH1  ARG  58          HH12      ARG  58   4.572  10.119 -11.685
  466   1HH2  ARG  58          HH22      ARG  58   6.759   8.604 -10.915
  467   2HH2  ARG  58          HH21      ARG  58   6.724   8.093 -12.574
  468    H    LEU  59           HN       LEU  59   5.025   6.194  -6.264
  469    HA   LEU  59           HA       LEU  59   2.739   7.370  -4.835
  470   1HB   LEU  59          HB2       LEU  59   5.556   6.895  -3.891
  471   2HB   LEU  59          HB3       LEU  59   4.429   7.934  -3.039
  472    HG   LEU  59           HG       LEU  59   4.125   4.972  -3.509
  473   1HD1  LEU  59          HD21      LEU  59   4.643   4.628  -1.271
  474   2HD1  LEU  59          HD22      LEU  59   5.790   5.858  -1.764
  475   3HD1  LEU  59          HD23      LEU  59   4.358   6.338  -0.851
  476   1HD2  LEU  59          HD11      LEU  59   2.336   6.647  -1.806
  477   2HD2  LEU  59          HD12      LEU  59   2.011   6.401  -3.509
  478   3HD2  LEU  59          HD13      LEU  59   2.075   5.026  -2.424
  479    H    ASP  60           HN       ASP  60   3.449   8.257  -7.317
  480    HA   ASP  60           HA       ASP  60   4.775  10.814  -6.746
  481   1HB   ASP  60          HB3       ASP  60   6.183   9.473  -8.195
  482   2HB   ASP  60          HB2       ASP  60   4.833   9.216  -9.308
  483    H    LYS  61           HN       LYS  61   2.854   9.623  -9.523
  484    HA   LYS  61           HA       LYS  61   1.315  12.090  -9.287
  485   1HB   LYS  61          HB2       LYS  61   2.022  10.340 -11.588
  486   2HB   LYS  61          HB3       LYS  61   0.615  11.407 -11.695
  487   1HG   LYS  61          HG3       LYS  61   3.399  12.301 -10.987
  488   2HG   LYS  61          HG2       LYS  61   2.690  12.395 -12.605
  489   1HD   LYS  61          HD3       LYS  61   0.922  13.849 -11.749
  490   2HD   LYS  61          HD2       LYS  61   1.618  13.756 -10.131
  491   1HE   LYS  61          HE2       LYS  61   3.691  14.780 -11.003
  492   2HE   LYS  61          HE3       LYS  61   2.910  14.921 -12.576
  493   1HZ   LYS  61          HZ1       LYS  61   2.631  16.590 -10.267
  494   2HZ   LYS  61          HZ2       LYS  61   1.125  16.072 -10.866
  495   3HZ   LYS  61          HZ3       LYS  61   2.226  16.905 -11.868
  496    H    TYR  62           HN       TYR  62   0.211  10.840  -7.480
  497    HA   TYR  62           HA       TYR  62  -2.286   9.838  -8.594
  498   1HB   TYR  62          HB3       TYR  62  -2.358   7.821  -7.434
  499   2HB   TYR  62          HB2       TYR  62  -0.662   7.887  -7.893
  500    HD1  TYR  62           HD1      TYR  62  -2.864   7.234  -5.309
  501    HD2  TYR  62           HD2      TYR  62   0.874   9.130  -6.044
  502    HE1  TYR  62           HE1      TYR  62  -2.303   7.038  -2.928
  503    HE2  TYR  62           HE2      TYR  62   1.454   8.924  -3.661
  504    HH   TYR  62           HH       TYR  62   0.006   8.780  -1.447
  505    H    ASN  63           HN       ASN  63  -4.074  10.152  -7.122
  506    HA   ASN  63           HA       ASN  63  -3.402  12.015  -4.925
  507   1HB   ASN  63          HB2       ASN  63  -4.702  13.136  -6.639
  508   2HB   ASN  63          HB3       ASN  63  -5.920  11.869  -6.594
  509   1HD2  ASN  63          HD21      ASN  63  -7.673  12.356  -5.426
  510   2HD2  ASN  63          HD22      ASN  63  -7.743  13.511  -4.143
  511    H    ILE  64           HN       ILE  64  -3.700  11.162  -2.978
  512    HA   ILE  64           HA       ILE  64  -5.664   8.981  -2.777
  513    HB   ILE  64           HB       ILE  64  -3.239   8.360  -2.453
  514   1HG1  ILE  64          HG12      ILE  64  -4.985   7.849  -0.059
  515   2HG1  ILE  64          HG13      ILE  64  -5.262   7.096  -1.625
  516   1HG2  ILE  64          HG21      ILE  64  -3.011   8.980   0.290
  517   2HG2  ILE  64          HG22      ILE  64  -1.981   9.519  -1.040
  518   3HG2  ILE  64          HG23      ILE  64  -3.372  10.485  -0.555
  519   1HD1  ILE  64          HD11      ILE  64  -3.567   5.652  -1.357
  520   2HD1  ILE  64          HD12      ILE  64  -2.547   6.832  -0.541
  521   3HD1  ILE  64          HD13      ILE  64  -3.814   6.006   0.357
  522    H    ARG  65           HN       ARG  65  -7.126   8.947  -1.136
  523    HA   ARG  65           HA       ARG  65  -7.092  11.100   0.857
  524   1HB   ARG  65          HB3       ARG  65  -9.394  10.530  -0.987
  525   2HB   ARG  65          HB2       ARG  65  -9.524  11.499   0.451
  526   1HG   ARG  65          HG2       ARG  65  -7.733  12.128  -1.893
  527   2HG   ARG  65          HG3       ARG  65  -9.310  12.866  -1.573
  528   1HD   ARG  65          HD2       ARG  65  -6.917  12.953   0.266
  529   2HD   ARG  65          HD3       ARG  65  -7.472  14.284  -0.762
  530    HE   ARG  65           HE       ARG  65  -9.662  13.657   0.729
  531   1HH1  ARG  65          HH11      ARG  65  -6.660  13.728   2.799
  532   2HH1  ARG  65          HH12      ARG  65  -6.562  15.378   2.362
  533   1HH2  ARG  65          HH21      ARG  65  -9.825  14.180   3.329
  534   2HH2  ARG  65          HH22      ARG  65  -9.565  15.844   2.872
  535    H    GLN  66           HN       GLN  66  -7.852  10.516   2.756
  536    HA   GLN  66           HA       GLN  66  -8.877   7.802   3.002
  537   1HB   GLN  66          HB3       GLN  66  -8.125   7.815   5.292
  538   2HB   GLN  66          HB2       GLN  66  -6.804   8.375   4.277
  539   1HG   GLN  66          HG2       GLN  66  -8.598  10.202   5.849
  540   2HG   GLN  66          HG3       GLN  66  -7.062   9.585   6.438
  541   1HE2  GLN  66          HE21      GLN  66  -5.208  10.547   5.802
  542   2HE2  GLN  66          HE22      GLN  66  -5.096  11.805   4.621
  543    H    HIS  67           HN       HIS  67 -10.966   7.613   3.176
  544    HA   HIS  67           HA       HIS  67 -12.546   9.914   3.987
  545   1HB   HIS  67          HB3       HIS  67 -13.202   7.324   2.618
  546   2HB   HIS  67          HB2       HIS  67 -14.475   8.283   3.373
  547    HD1  HIS  67           HD1      HIS  67 -14.197  11.011   2.568
  548    HD2  HIS  67           HD2      HIS  67 -13.117   7.940  -0.022
  549    HE1  HIS  67           HE1      HIS  67 -14.240  12.016   0.264
  550    HE2  HIS  67           HE2      HIS  67 -13.706  10.107  -1.297
  551    H    THR  68           HN       THR  68 -13.074  10.159   5.996
  552    HA   THR  68           HA       THR  68 -13.396   7.783   7.691
  553    HB   THR  68           HB       THR  68 -13.176  10.695   8.544
  554    HG1  THR  68           HG1      THR  68 -11.179   8.668   8.431
  555   1HG2  THR  68          HG21      THR  68 -12.212   9.202  10.590
  556   2HG2  THR  68          HG22      THR  68 -13.513   8.176  10.002
  557   3HG2  THR  68          HG23      THR  68 -13.845   9.843  10.492
  558    H    THR  69           HN       THR  69 -14.894  10.893   8.377
  559    HA   THR  69           HA       THR  69 -17.030  11.599   8.539
  560    HB   THR  69           HB       THR  69 -17.498   9.870   6.115
  561    HG1  THR  69           HG1      THR  69 -16.202  12.371   6.421
  562   1HG2  THR  69          HG21      THR  69 -19.555  10.848   6.782
  563   2HG2  THR  69          HG22      THR  69 -18.925  11.813   5.421
  564   3HG2  THR  69          HG23      THR  69 -18.779  12.414   7.074
  565    H    ASP  70           HN       ASP  70 -16.816   8.081   8.319
  566    HA   ASP  70           HA       ASP  70 -18.837   7.793  10.340
  567   1HB   ASP  70          HB2       ASP  70 -20.159   7.884   8.224
  568   2HB   ASP  70          HB3       ASP  70 -19.218   6.529   7.608
  569    H    GLU  71           HN       GLU  71 -16.898   6.194   7.848
  570    HA   GLU  71           HA       GLU  71 -15.530   4.589   9.827
  571   1HB   GLU  71          HB3       GLU  71 -17.558   3.470   8.072
  572   2HB   GLU  71          HB2       GLU  71 -15.960   2.734   7.834
  573   1HG   GLU  71          HG3       GLU  71 -15.898   2.335  10.321
  574   2HG   GLU  71          HG2       GLU  71 -17.580   2.872  10.382
  575    H    ASP  72           HN       ASP  72 -13.495   4.236   9.281
  576    HA   ASP  72           HA       ASP  72 -12.095   5.596   7.437
  577   1HB   ASP  72          HB2       ASP  72 -11.533   2.859   8.572
  578   2HB   ASP  72          HB3       ASP  72 -10.358   3.769   7.623
  579    H    THR  73           HN       THR  73 -11.223   5.265   5.532
  580    HA   THR  73           HA       THR  73 -11.599   3.059   3.807
  581    HB   THR  73           HB       THR  73 -13.268   5.535   3.300
  582    HG1  THR  73           HG1      THR  73 -13.982   3.463   4.476
  583   1HG2  THR  73          HG21      THR  73 -12.207   3.620   1.332
  584   2HG2  THR  73          HG22      THR  73 -12.720   5.284   1.133
  585   3HG2  THR  73          HG23      THR  73 -13.921   3.996   1.214
  586    H    ILE  74           HN       ILE  74 -10.145   3.161   2.084
  587    HA   ILE  74           HA       ILE  74  -8.583   5.653   1.871
  588    HB   ILE  74           HB       ILE  74  -7.487   2.833   1.712
  589   1HG1  ILE  74          HG12      ILE  74  -7.940   3.548   4.034
  590   2HG1  ILE  74          HG13      ILE  74  -6.209   3.424   3.737
  591   1HG2  ILE  74          HG21      ILE  74  -5.388   4.664   1.857
  592   2HG2  ILE  74          HG22      ILE  74  -5.871   3.711   0.462
  593   3HG2  ILE  74          HG23      ILE  74  -6.512   5.339   0.676
  594   1HD1  ILE  74          HD11      ILE  74  -7.874   5.899   3.988
  595   2HD1  ILE  74          HD12      ILE  74  -6.520   5.391   4.988
  596   3HD1  ILE  74          HD13      ILE  74  -6.251   5.922   3.325
  597    H    VAL  75           HN       VAL  75  -9.041   6.498  -0.056
  598    HA   VAL  75           HA       VAL  75  -9.280   4.667  -2.345
  599    HB   VAL  75           HB       VAL  75 -10.660   6.308  -3.438
  600   1HG1  VAL  75          HG11      VAL  75 -11.912   6.259  -0.748
  601   2HG1  VAL  75          HG12      VAL  75 -12.604   5.879  -2.312
  602   3HG1  VAL  75          HG13      VAL  75 -11.532   4.734  -1.520
  603   1HG2  VAL  75          HG21      VAL  75 -10.383   8.060  -1.021
  604   2HG2  VAL  75          HG22      VAL  75  -9.519   8.293  -2.525
  605   3HG2  VAL  75          HG23      VAL  75 -11.273   8.420  -2.470
  606    H    LEU  76           HN       LEU  76  -8.333   5.423  -4.353
  607    HA   LEU  76           HA       LEU  76  -6.561   7.695  -4.157
  608   1HB   LEU  76          HB3       LEU  76  -4.719   6.311  -5.276
  609   2HB   LEU  76          HB2       LEU  76  -4.917   6.227  -3.531
  610    HG   LEU  76           HG       LEU  76  -6.362   4.232  -5.148
  611   1HD1  LEU  76          HD21      LEU  76  -4.597   3.554  -6.283
  612   2HD1  LEU  76          HD22      LEU  76  -3.528   4.636  -5.404
  613   3HD1  LEU  76          HD23      LEU  76  -3.895   3.045  -4.744
  614   1HD2  LEU  76          HD11      LEU  76  -6.616   4.075  -2.808
  615   2HD2  LEU  76          HD12      LEU  76  -5.573   2.749  -3.303
  616   3HD2  LEU  76          HD13      LEU  76  -4.888   4.179  -2.539
  617    H    GLN  77           HN       GLN  77  -6.697   8.865  -5.825
  618    HA   GLN  77           HA       GLN  77  -8.019   7.798  -8.206
  619   1HB   GLN  77          HB2       GLN  77  -7.508  10.600  -7.207
  620   2HB   GLN  77          HB3       GLN  77  -8.088  10.282  -8.834
  621   1HG   GLN  77          HG2       GLN  77  -9.943  10.852  -7.460
  622   2HG   GLN  77          HG3       GLN  77 -10.057   9.149  -7.874
  623   1HE2  GLN  77          HE21      GLN  77 -10.775   7.999  -6.292
  624   2HE2  GLN  77          HE22      GLN  77 -10.576   8.330  -4.613
  625    HA   PRO  78           HA       PRO  78  -4.021   7.854 -10.168
  626   1HB   PRO  78          HB2       PRO  78  -4.696   6.299 -12.224
  627   2HB   PRO  78          HB3       PRO  78  -4.539   5.655 -10.606
  628   1HG   PRO  78          HG3       PRO  78  -6.992   6.261 -12.142
  629   2HG   PRO  78          HG2       PRO  78  -6.699   4.983 -10.987
  630   1HD   PRO  78          HD2       PRO  78  -8.016   7.408 -10.483
  631   2HD   PRO  78          HD3       PRO  78  -7.440   6.256  -9.268
  632    H    GLN  79           HN       GLN  79  -3.390   9.661 -11.205
  633    HA   GLN  79           HA       GLN  79  -5.210  10.908 -13.107
  634   1HB   GLN  79          HB2       GLN  79  -3.665  12.828 -13.056
  635   2HB   GLN  79          HB3       GLN  79  -4.259  12.393 -11.463
  636   1HG   GLN  79          HG3       GLN  79  -2.189  11.313 -10.912
  637   2HG   GLN  79          HG2       GLN  79  -1.581  11.589 -12.544
  638   1HE2  GLN  79          HE21      GLN  79  -1.549  12.700  -9.444
  639   2HE2  GLN  79          HE22      GLN  79  -0.847  14.234  -9.744
  640    H    GLU  80           HN       GLU  80  -3.307   8.464 -13.434
  641    HA   GLU  80           HA       GLU  80  -2.340   9.286 -16.070
  642   1HB   GLU  80          HB3       GLU  80  -1.042   7.228 -14.272
  643   2HB   GLU  80          HB2       GLU  80  -0.474   7.740 -15.854
  644   1HG   GLU  80          HG3       GLU  80  -0.308  10.078 -14.819
  645   2HG   GLU  80          HG2       GLU  80  -0.436   9.246 -13.268
  646    HA   PRO  81           HA       PRO  81  -5.082   6.144 -17.470
  647   1HB   PRO  81          HB2       PRO  81  -3.301   5.744 -19.789
  648   2HB   PRO  81          HB3       PRO  81  -4.972   6.324 -19.729
  649   1HG   PRO  81          HG2       PRO  81  -2.933   7.985 -20.281
  650   2HG   PRO  81          HG3       PRO  81  -4.347   8.509 -19.331
  651   1HD   PRO  81          HD2       PRO  81  -1.620   7.716 -18.373
  652   2HD   PRO  81          HD3       PRO  81  -2.652   9.069 -17.853
  653    H    GLY  82           HN       GLY  82  -1.829   5.447 -16.709
  654   1HA   GLY  82          HA1       GLY  82  -2.120   2.613 -17.354
  655   2HA   GLY  82          HA2       GLY  82  -0.672   3.394 -16.771
  656    H    LEU  83           HN       LEU  83  -3.737   3.931 -15.178
  657    HA   LEU  83           HA       LEU  83  -3.086   1.992 -13.096
  658   1HB   LEU  83          HB3       LEU  83  -3.250   4.967 -12.710
  659   2HB   LEU  83          HB2       LEU  83  -3.576   3.869 -11.394
  660    HG   LEU  83           HG       LEU  83  -0.969   3.893 -12.919
  661   1HD1  LEU  83          HD21      LEU  83  -1.311   4.987 -10.157
  662   2HD1  LEU  83          HD22      LEU  83  -0.025   5.297 -11.348
  663   3HD1  LEU  83          HD23      LEU  83  -1.629   6.014 -11.552
  664   1HD2  LEU  83          HD11      LEU  83  -2.111   2.066 -11.117
  665   2HD2  LEU  83          HD12      LEU  83  -0.467   2.089 -11.730
  666   3HD2  LEU  83          HD13      LEU  83  -0.859   2.929 -10.237
  667    HA   PRO  84           HA       PRO  84  -7.538   1.783 -13.183
  668   1HB   PRO  84          HB2       PRO  84  -7.856  -0.268 -11.525
  669   2HB   PRO  84          HB3       PRO  84  -6.998  -0.497 -13.049
  670   1HG   PRO  84          HG2       PRO  84  -5.898  -0.111 -10.288
  671   2HG   PRO  84          HG3       PRO  84  -5.401  -1.267 -11.519
  672   1HD   PRO  84          HD3       PRO  84  -4.139   1.128 -11.046
  673   2HD   PRO  84          HD2       PRO  84  -4.058   0.253 -12.571
  674    H    SER  85           HN       SER  85  -9.213   1.179 -11.178
  675    HA   SER  85           HA       SER  85  -8.733   3.282  -9.169
  676   1HB   SER  85          HB2       SER  85 -11.307   3.141  -8.912
  677   2HB   SER  85          HB3       SER  85 -10.654   3.952 -10.347
  678    HG   SER  85           HG       SER  85 -11.041   2.068 -11.535
  679    H    PHE  86           HN       PHE  86  -8.241   2.521  -7.210
  680    HA   PHE  86           HA       PHE  86  -9.455  -0.012  -6.351
  681   1HB   PHE  86          HB3       PHE  86  -7.454  -0.967  -6.628
  682   2HB   PHE  86          HB2       PHE  86  -6.693   0.587  -6.937
  683    HD1  PHE  86           HD1      PHE  86  -7.849  -1.522  -4.073
  684    HD2  PHE  86           HD2      PHE  86  -5.077   1.345  -5.553
  685    HE1  PHE  86           HE1      PHE  86  -6.554  -1.681  -1.979
  686    HE2  PHE  86           HE2      PHE  86  -3.788   1.192  -3.472
  687    HZ   PHE  86           HZ       PHE  86  -4.522  -0.321  -1.682
  688    H    ARG  87           HN       ARG  87  -9.735  -0.293  -4.109
  689    HA   ARG  87           HA       ARG  87  -9.307   2.054  -2.388
  690   1HB   ARG  87          HB2       ARG  87 -11.921   0.584  -2.793
  691   2HB   ARG  87          HB3       ARG  87 -11.630   1.726  -1.499
  692   1HG   ARG  87          HG3       ARG  87 -11.940   3.488  -2.831
  693   2HG   ARG  87          HG2       ARG  87 -10.987   2.781  -4.143
  694   1HD   ARG  87          HD2       ARG  87 -13.279   3.094  -4.864
  695   2HD   ARG  87          HD3       ARG  87 -12.908   1.375  -4.760
  696    HE   ARG  87           HE       ARG  87 -14.057   2.154  -2.342
  697   1HH1  ARG  87          HH12      ARG  87 -15.622   0.977  -5.596
  698   2HH1  ARG  87          HH11      ARG  87 -16.106   2.649  -5.473
  699   1HH2  ARG  87          HH22      ARG  87 -16.825   2.447  -2.409
  700   2HH2  ARG  87          HH21      ARG  87 -16.836   0.724  -2.734
  701    H    ILE  88           HN       ILE  88  -8.755   1.534  -0.294
  702    HA   ILE  88           HA       ILE  88  -8.992  -1.297   0.493
  703    HB   ILE  88           HB       ILE  88  -7.019  -0.522   2.120
  704   1HG1  ILE  88          HG12      ILE  88  -6.369   0.968  -0.420
  705   2HG1  ILE  88          HG13      ILE  88  -6.924   1.745   1.072
  706   1HG2  ILE  88          HG21      ILE  88  -7.270  -2.203  -0.063
  707   2HG2  ILE  88          HG22      ILE  88  -5.801  -1.275  -0.367
  708   3HG2  ILE  88          HG23      ILE  88  -5.969  -2.185   1.117
  709   1HD1  ILE  88          HD11      ILE  88  -4.951   1.345   2.176
  710   2HD1  ILE  88          HD12      ILE  88  -4.524  -0.035   1.143
  711   3HD1  ILE  88          HD13      ILE  88  -4.375   1.606   0.521
  712    H    LYS  89           HN       LYS  89 -10.330  -1.572   2.186
  713    HA   LYS  89           HA       LYS  89 -10.442   0.557   4.215
  714   1HB   LYS  89          HB3       LYS  89 -12.734   0.872   4.138
  715   2HB   LYS  89          HB2       LYS  89 -12.386   0.642   2.432
  716   1HG   LYS  89          HG2       LYS  89 -13.511  -1.311   2.322
  717   2HG   LYS  89          HG3       LYS  89 -13.054  -1.792   3.963
  718   1HD   LYS  89          HD3       LYS  89 -14.617  -0.046   4.820
  719   2HD   LYS  89          HD2       LYS  89 -15.168   0.197   3.163
  720   1HE   LYS  89          HE3       LYS  89 -15.836  -2.175   3.069
  721   2HE   LYS  89          HE2       LYS  89 -15.341  -2.357   4.762
  722   1HZ   LYS  89          HZ1       LYS  89 -16.980  -0.491   5.224
  723   2HZ   LYS  89          HZ2       LYS  89 -17.645  -1.999   4.808
  724   3HZ   LYS  89          HZ3       LYS  89 -17.586  -0.747   3.663
  725    HA   PRO  90           HA       PRO  90 -10.494  -2.794   7.041
  726   1HB   PRO  90          HB3       PRO  90 -11.645  -1.651   9.196
  727   2HB   PRO  90          HB2       PRO  90 -10.028  -1.151   8.610
  728   1HG   PRO  90          HG2       PRO  90 -12.709   0.144   8.167
  729   2HG   PRO  90          HG3       PRO  90 -11.161   0.895   8.588
  730   1HD   PRO  90          HD3       PRO  90 -12.137   0.829   6.060
  731   2HD   PRO  90          HD2       PRO  90 -10.392   0.849   6.436
  732    H    LYS  91           HN       LYS  91 -12.034  -4.062   5.739
  733    HA   LYS  91           HA       LYS  91 -14.790  -3.837   5.867
  734   1HB   LYS  91          HB3       LYS  91 -14.780  -6.350   5.329
  735   2HB   LYS  91          HB2       LYS  91 -14.073  -5.222   4.180
  736   1HG   LYS  91          HG2       LYS  91 -12.064  -6.131   4.352
  737   2HG   LYS  91          HG3       LYS  91 -12.163  -6.231   6.113
  738   1HD   LYS  91          HD3       LYS  91 -12.012  -8.467   5.068
  739   2HD   LYS  91          HD2       LYS  91 -13.538  -8.239   5.928
  740   1HE   LYS  91          HE3       LYS  91 -14.486  -7.513   3.670
  741   2HE   LYS  91          HE2       LYS  91 -13.038  -8.217   2.975
  742   1HZ   LYS  91          HZ1       LYS  91 -15.206  -9.549   4.460
  743   2HZ   LYS  91          HZ2       LYS  91 -13.692 -10.260   4.346
  744   3HZ   LYS  91          HZ3       LYS  91 -14.556  -9.942   2.930
  745    H    ASP  92           HN       ASP  92 -13.551  -6.841   7.363
  746    HA   ASP  92           HA       ASP  92 -14.915  -6.052   9.824
  747   1HB   ASP  92          HB3       ASP  92 -16.467  -7.348   8.358
  748   2HB   ASP  92          HB2       ASP  92 -15.342  -8.688   8.432
  749    H    PHE  93           HN       PHE  93 -13.119  -5.987  11.063
  750    HA   PHE  93           HA       PHE  93 -12.019  -8.472  11.923
  751   1HB   PHE  93          HB3       PHE  93  -9.624  -7.834  11.587
  752   2HB   PHE  93          HB2       PHE  93 -10.473  -8.248  10.106
  753    HD1  PHE  93           HD1      PHE  93 -10.944  -6.532   8.426
  754    HD2  PHE  93           HD2      PHE  93  -8.859  -5.638  12.015
  755    HE1  PHE  93           HE1      PHE  93 -10.169  -4.413   7.438
  756    HE2  PHE  93           HE2      PHE  93  -8.070  -3.525  11.046
  757    HZ   PHE  93           HZ       PHE  93  -8.723  -2.907   8.751
  758    H    GLU  94           HN       GLU  94 -10.752  -8.229  13.875
  759    HA   GLU  94           HA       GLU  94 -10.997  -5.575  15.116
  760   1HB   GLU  94          HB3       GLU  94 -12.847  -7.211  15.774
  761   2HB   GLU  94          HB2       GLU  94 -11.599  -8.129  16.586
  762   1HG   GLU  94          HG3       GLU  94 -11.262  -6.516  18.190
  763   2HG   GLU  94          HG2       GLU  94 -11.955  -5.238  17.202
  764    H    THR  95           HN       THR  95  -9.549  -5.213  16.896
  765    HA   THR  95           HA       THR  95  -7.525  -5.237  17.912
  766    HB   THR  95           HB       THR  95  -7.321  -8.185  17.240
  767    HG1  THR  95           HG1      THR  95  -8.926  -8.503  18.530
  768   1HG2  THR  95          HG21      THR  95  -6.346  -8.089  19.662
  769   2HG2  THR  95          HG22      THR  95  -6.036  -6.395  19.246
  770   3HG2  THR  95          HG23      THR  95  -5.337  -7.695  18.275
  771    H    SER  96           HN       SER  96  -7.500  -4.098  15.660
  772    HA   SER  96           HA       SER  96  -4.931  -4.338  14.566
  773   1HB   SER  96          HB3       SER  96  -7.238  -5.402  12.937
  774   2HB   SER  96          HB2       SER  96  -5.773  -4.788  12.176
  775    HG   SER  96           HG       SER  96  -5.608  -6.732  14.209
  776    H    GLU  97           HN       GLU  97  -8.067  -2.949  14.745
  777    HA   GLU  97           HA       GLU  97  -8.133  -0.996  12.801
  778   1HB   GLU  97          HB2       GLU  97  -9.084  -0.588  15.643
  779   2HB   GLU  97          HB3       GLU  97  -9.671   0.226  14.207
  780   1HG   GLU  97          HG2       GLU  97 -11.335  -1.283  14.495
  781   2HG   GLU  97          HG3       GLU  97 -10.255  -2.234  13.468
  782    H    TYR  98           HN       TYR  98  -6.475  -0.931  15.916
  783    HA   TYR  98           HA       TYR  98  -5.776   1.779  15.899
  784   1HB   TYR  98          HB2       TYR  98  -4.392  -0.559  17.205
  785   2HB   TYR  98          HB3       TYR  98  -3.948   1.126  17.472
  786    HD1  TYR  98           HD1      TYR  98  -6.936  -1.102  17.624
  787    HD2  TYR  98           HD2      TYR  98  -4.884   2.255  19.228
  788    HE1  TYR  98           HE1      TYR  98  -8.609  -0.945  19.418
  789    HE2  TYR  98           HE2      TYR  98  -6.550   2.425  21.027
  790    HH   TYR  98           HH       TYR  98  -8.640   1.747  21.661
  791    H    VAL  99           HN       VAL  99  -4.045  -1.042  14.562
  792    HA   VAL  99           HA       VAL  99  -1.847   0.601  13.674
  793    HB   VAL  99           HB       VAL  99  -0.878  -1.270  12.718
  794   1HG1  VAL  99          HG11      VAL  99  -0.757  -1.915  14.878
  795   2HG1  VAL  99          HG12      VAL  99  -2.500  -1.952  15.091
  796   3HG1  VAL  99          HG13      VAL  99  -1.689  -3.264  14.261
  797   1HG2  VAL  99          HG21      VAL  99  -3.639  -2.411  12.344
  798   2HG2  VAL  99          HG22      VAL  99  -2.469  -1.925  11.099
  799   3HG2  VAL  99          HG23      VAL  99  -2.166  -3.348  12.112
  800    H    ARG 100           HN       ARG 100  -4.934  -0.386  12.457
  801    HA   ARG 100           HA       ARG 100  -4.505   0.167   9.723
  802   1HB   ARG 100          HB2       ARG 100  -6.347  -1.227  10.301
  803   2HB   ARG 100          HB3       ARG 100  -6.991  -0.037  11.403
  804   1HG   ARG 100          HG2       ARG 100  -6.765   1.002   8.711
  805   2HG   ARG 100          HG3       ARG 100  -7.783  -0.443   8.794
  806   1HD   ARG 100          HD2       ARG 100  -8.078   1.950  10.607
  807   2HD   ARG 100          HD3       ARG 100  -9.003   1.718   9.123
  808    HE   ARG 100           HE       ARG 100  -9.385  -0.581  10.561
  809   1HH1  ARG 100          HH11      ARG 100 -10.176   2.906  11.242
  810   2HH1  ARG 100          HH12      ARG 100 -10.447   2.312  12.855
  811   1HH2  ARG 100          HH21      ARG 100 -11.192  -0.928  11.870
  812   2HH2  ARG 100          HH22      ARG 100 -12.186   0.419  12.311
  813    H    LYS 101           HN       LYS 101  -5.847   2.118  12.392
  814    HA   LYS 101           HA       LYS 101  -6.364   4.391  10.757
  815   1HB   LYS 101          HB3       LYS 101  -7.428   3.912  12.993
  816   2HB   LYS 101          HB2       LYS 101  -5.908   4.411  13.746
  817   1HG   LYS 101          HG2       LYS 101  -6.151   6.631  13.018
  818   2HG   LYS 101          HG3       LYS 101  -7.417   6.184  11.846
  819   1HD   LYS 101          HD2       LYS 101  -7.759   5.876  14.824
  820   2HD   LYS 101          HD3       LYS 101  -8.197   7.345  13.961
  821   1HE   LYS 101          HE2       LYS 101  -9.700   6.014  12.514
  822   2HE   LYS 101          HE3       LYS 101  -9.306   4.589  13.475
  823   1HZ   LYS 101          HZ1       LYS 101 -10.688   7.046  14.403
  824   2HZ   LYS 101          HZ2       LYS 101 -10.164   5.822  15.437
  825   3HZ   LYS 101          HZ3       LYS 101 -11.343   5.485  14.285
  826    H    ALA 102           HN       ALA 102  -3.560   3.077  12.171
  827    HA   ALA 102           HA       ALA 102  -1.966   5.449  12.303
  828   1HB   ALA 102          HB1       ALA 102  -1.442   3.259  13.476
  829   2HB   ALA 102          HB2       ALA 102  -0.960   2.631  11.917
  830   3HB   ALA 102          HB3       ALA 102  -0.091   3.989  12.593
  831    H    TRP 103           HN       TRP 103  -2.812   3.044   9.902
  832    HA   TRP 103           HA       TRP 103  -0.911   3.772   7.940
  833   1HB   TRP 103          HB3       TRP 103  -3.494   2.270   7.881
  834   2HB   TRP 103          HB2       TRP 103  -2.790   2.815   6.358
  835    HD1  TRP 103           HD1      TRP 103  -1.694   0.723   9.453
  836    HE1  TRP 103           HE1      TRP 103  -0.086  -1.108   8.623
  837    HE3  TRP 103           HE3      TRP 103  -1.487   2.005   4.521
  838    HZ2  TRP 103           HZ2      TRP 103   1.113  -1.889   6.186
  839    HZ3  TRP 103           HZ3      TRP 103  -0.097   0.682   2.997
  840    HH2  TRP 103           HH2      TRP 103   1.184  -1.227   3.801
  841    H    LEU 104           HN       LEU 104  -4.160   4.885   8.685
  842    HA   LEU 104           HA       LEU 104  -4.502   6.579   6.453
  843   1HB   LEU 104          HB2       LEU 104  -5.723   6.445   9.180
  844   2HB   LEU 104          HB3       LEU 104  -6.032   7.841   8.163
  845    HG   LEU 104           HG       LEU 104  -6.896   6.265   6.416
  846   1HD1  LEU 104          HD11      LEU 104  -6.987   4.219   8.615
  847   2HD1  LEU 104          HD12      LEU 104  -7.401   4.014   6.918
  848   3HD1  LEU 104          HD13      LEU 104  -5.727   4.245   7.391
  849   1HD2  LEU 104          HD21      LEU 104  -8.157   6.789   9.039
  850   2HD2  LEU 104          HD22      LEU 104  -8.631   7.316   7.412
  851   3HD2  LEU 104          HD23      LEU 104  -8.964   5.666   7.961
  852    H    ARG 105           HN       ARG 105  -2.951   6.979   9.555
  853    HA   ARG 105           HA       ARG 105  -2.619   9.794   9.415
  854   1HB   ARG 105          HB2       ARG 105  -2.427   8.751  11.560
  855   2HB   ARG 105          HB3       ARG 105  -1.167   7.662  10.994
  856   1HG   ARG 105          HG3       ARG 105   0.459   9.294  11.072
  857   2HG   ARG 105          HG2       ARG 105  -0.713  10.617  10.924
  858   1HD   ARG 105          HD3       ARG 105  -0.526   8.825  13.334
  859   2HD   ARG 105          HD2       ARG 105   0.326  10.363  13.200
  860    HE   ARG 105           HE       ARG 105  -2.495   9.956  13.672
  861   1HH1  ARG 105          HH11      ARG 105  -0.431  12.684  12.126
  862   2HH1  ARG 105          HH12      ARG 105  -0.381  12.936  13.844
  863   1HH2  ARG 105          HH21      ARG 105  -3.849  12.388  12.850
  864   2HH2  ARG 105          HH22      ARG 105  -3.169  12.899  14.385
  865    H    ASP 106           HN       ASP 106  -0.522   7.053   8.590
  866    HA   ASP 106           HA       ASP 106   1.641   8.672   7.709
  867   1HB   ASP 106          HB3       ASP 106   1.757   6.227   8.417
  868   2HB   ASP 106          HB2       ASP 106   1.134   5.845   6.811
  869    H    ILE 107           HN       ILE 107  -1.110   7.186   6.114
  870    HA   ILE 107           HA       ILE 107  -0.425   7.750   3.448
  871    HB   ILE 107           HB       ILE 107  -3.035   7.327   4.857
  872   1HG1  ILE 107          HG12      ILE 107  -1.461   5.754   2.818
  873   2HG1  ILE 107          HG13      ILE 107  -1.631   5.378   4.525
  874   1HG2  ILE 107          HG21      ILE 107  -3.404   8.921   2.975
  875   2HG2  ILE 107          HG22      ILE 107  -2.790   7.666   1.883
  876   3HG2  ILE 107          HG23      ILE 107  -4.252   7.393   2.816
  877   1HD1  ILE 107          HD11      ILE 107  -3.321   4.661   2.316
  878   2HD1  ILE 107          HD12      ILE 107  -3.320   4.060   3.983
  879   3HD1  ILE 107          HD13      ILE 107  -4.239   5.514   3.555
  880    H    ALA 108           HN       ALA 108  -1.995   9.706   5.940
  881    HA   ALA 108           HA       ALA 108  -2.691  11.886   4.237
  882   1HB   ALA 108          HB1       ALA 108  -2.834  13.142   6.433
  883   2HB   ALA 108          HB2       ALA 108  -3.845  11.703   6.306
  884   3HB   ALA 108          HB3       ALA 108  -2.331  11.660   7.222
  885    H    GLU 109           HN       GLU 109  -0.156  11.457   6.667
  886    HA   GLU 109           HA       GLU 109   1.446  13.657   5.692
  887   1HB   GLU 109          HB3       GLU 109   2.273  11.518   7.664
  888   2HB   GLU 109          HB2       GLU 109   2.905  13.147   7.516
  889   1HG   GLU 109          HG3       GLU 109   0.890  14.094   8.356
  890   2HG   GLU 109          HG2       GLU 109   0.075  12.537   8.304
  891    H    GLU 110           HN       GLU 110   0.953  11.834   3.675
  892    HA   GLU 110           HA       GLU 110   2.846   9.807   3.307
  893   1HB   GLU 110          HB2       GLU 110   2.075   9.731   1.028
  894   2HB   GLU 110          HB3       GLU 110   0.701  10.050   2.066
  895   1HG   GLU 110          HG3       GLU 110   1.019  12.504   1.540
  896   2HG   GLU 110          HG2       GLU 110   2.163  11.993   0.307
  897    H    GLN 111           HN       GLN 111   4.685   9.636   2.151
  898    HA   GLN 111           HA       GLN 111   6.877  10.417   1.936
  899   1HB   GLN 111          HB2       GLN 111   5.718   9.754  -0.191
  900   2HB   GLN 111          HB3       GLN 111   5.466  11.467  -0.499
  901   1HG   GLN 111          HG2       GLN 111   7.772  11.864  -0.726
  902   2HG   GLN 111          HG3       GLN 111   8.174  10.292  -0.033
  903   1HE2  GLN 111          HE21      GLN 111   7.321  11.996  -2.863
  904   2HE2  GLN 111          HE22      GLN 111   7.003  10.651  -3.896
  905    H    GLU 112           HN       GLU 112   7.257  11.952   3.458
  906    HA   GLU 112           HA       GLU 112   6.472  14.570   3.590
  907   1HB   GLU 112          HB2       GLU 112   9.134  13.354   4.317
  908   2HB   GLU 112          HB3       GLU 112   8.641  14.982   4.785
  909   1HG   GLU 112          HG2       GLU 112   6.765  14.068   6.036
  910   2HG   GLU 112          HG3       GLU 112   7.206  12.437   5.527
  911    H    LYS 113           HN       LYS 113   9.047  13.245   1.570
  912    HA   LYS 113           HA       LYS 113  10.054  15.796   0.777
  913   1HB   LYS 113          HB3       LYS 113  10.458  12.979  -0.153
  914   2HB   LYS 113          HB2       LYS 113  11.103  14.317  -1.091
  915   1HG   LYS 113          HG3       LYS 113  12.846  13.555   0.307
  916   2HG   LYS 113          HG2       LYS 113  12.262  15.067   1.009
  917   1HD   LYS 113          HD3       LYS 113  10.927  13.800   2.620
  918   2HD   LYS 113          HD2       LYS 113  11.538  12.299   1.927
  919   1HE   LYS 113          HE3       LYS 113  13.258  14.442   3.166
  920   2HE   LYS 113          HE2       LYS 113  12.697  12.991   4.010
  921   1HZ   LYS 113          HZ1       LYS 113  13.813  11.867   1.895
  922   2HZ   LYS 113          HZ2       LYS 113  14.692  12.231   3.304
  923   3HZ   LYS 113          HZ3       LYS 113  14.769  13.273   1.955
  924    H    TYR 114           HN       TYR 114   7.323  13.992  -0.148
  925    HA   TYR 114           HA       TYR 114   7.037  14.630  -2.865
  926   1HB   TYR 114          HB2       TYR 114   5.701  12.963  -1.555
  927   2HB   TYR 114          HB3       TYR 114   4.830  14.302  -0.834
  928    HD1  TYR 114           HD1      TYR 114   3.810  15.981  -2.669
  929    HD2  TYR 114           HD2      TYR 114   4.712  11.882  -3.277
  930    HE1  TYR 114           HE1      TYR 114   2.166  15.902  -4.490
  931    HE2  TYR 114           HE2      TYR 114   3.068  11.781  -5.097
  932    HH   TYR 114           HH       TYR 114   1.836  13.062  -6.525
  933    H    ALA 115           HN       ALA 115   5.167  16.142  -0.220
  934    HA   ALA 115           HA       ALA 115   4.454  18.382  -1.802
  935   1HB   ALA 115          HB1       ALA 115   3.417  17.380   0.425
  936   2HB   ALA 115          HB2       ALA 115   4.393  18.644   1.149
  937   3HB   ALA 115          HB3       ALA 115   3.181  19.060  -0.053
  938    H    ALA 116           HN       ALA 116   7.371  17.640  -0.348
  939    HA   ALA 116           HA       ALA 116   8.140  20.379   0.221
  940   1HB   ALA 116          HB1       ALA 116  10.134  18.170   0.003
  941   2HB   ALA 116          HB2       ALA 116  10.039  19.531   1.162
  942   3HB   ALA 116          HB3       ALA 116   8.968  18.125   1.332
  943    H    GLU 117           HN       GLU 117   8.414  18.005  -2.321
  944    HA   GLU 117           HA       GLU 117   9.228  18.043  -4.422
  945   1HB   GLU 117          HB3       GLU 117   8.294  20.772  -3.950
  946   2HB   GLU 117          HB2       GLU 117   9.554  20.671  -5.181
  947   1HG   GLU 117          HG3       GLU 117   7.028  19.039  -5.168
  948   2HG   GLU 117          HG2       GLU 117   7.291  20.504  -6.117
  949    H    ARG 118           HN       ARG 118  11.048  17.905  -2.303
  950    HA   ARG 118           HA       ARG 118  13.480  18.380  -3.709
  951   1HB   ARG 118          HB3       ARG 118  12.779  20.628  -2.533
  952   2HB   ARG 118          HB2       ARG 118  13.316  19.800  -1.082
  953   1HG   ARG 118          HG3       ARG 118  15.213  20.936  -1.680
  954   2HG   ARG 118          HG2       ARG 118  15.482  19.370  -2.449
  955   1HD   ARG 118          HD3       ARG 118  14.080  21.467  -4.006
  956   2HD   ARG 118          HD2       ARG 118  15.814  21.642  -3.753
  957    HE   ARG 118           HE       ARG 118  15.321  19.040  -4.659
  958   1HH1  ARG 118          HH12      ARG 118  14.021  21.787  -6.440
  959   2HH1  ARG 118          HH11      ARG 118  15.670  22.290  -6.793
  960   1HH2  ARG 118          HH22      ARG 118  16.751  19.251  -7.204
  961   2HH2  ARG 118          HH21      ARG 118  15.088  19.073  -7.659
  962    H    ASP 119           HN       ASP 119  15.251  17.385  -2.604
  963    HA   ASP 119           HA       ASP 119  14.543  15.781  -0.258
  964   1HB   ASP 119          HB2       ASP 119  15.748  13.839  -1.227
  965   2HB   ASP 119          HB3       ASP 119  14.307  14.275  -2.143
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1  13.212 -15.778  -4.003
    2   2H    MET   1          HT2       MET   1  13.729 -16.254  -5.572
    3   3H    MET   1          HT3       MET   1  12.234 -16.833  -4.946
    4    HA   MET   1           HA       MET   1  12.115 -15.026  -6.618
    5   1HB   MET   1          HB2       MET   1  10.355 -13.830  -5.318
    6   2HB   MET   1          HB3       MET   1  10.223 -15.580  -5.218
    7   1HG   MET   1          HG2       MET   1  11.080 -15.605  -3.007
    8   2HG   MET   1          HG3       MET   1  11.567 -13.914  -3.109
    9   1HE   MET   1          HE1       MET   1   8.660 -16.020  -4.066
   10   2HE   MET   1          HE2       MET   1   7.998 -16.148  -2.436
   11   3HE   MET   1          HE3       MET   1   7.233 -15.085  -3.618
   12    H    GLY   2           HN       GLY   2  14.639 -14.518  -6.059
   13   1HA   GLY   2          HA1       GLY   2  15.711 -12.366  -6.417
   14   2HA   GLY   2          HA2       GLY   2  14.637 -11.696  -5.187
   15    H    ASP   3           HN       ASP   3  14.859 -12.445  -3.028
   16    HA   ASP   3           HA       ASP   3  16.153 -12.614  -1.151
   17   1HB   ASP   3          HB3       ASP   3  16.956 -15.122  -2.639
   18   2HB   ASP   3          HB2       ASP   3  17.137 -14.864  -0.907
   19    H    THR   4           HN       THR   4  17.411 -10.752  -2.376
   20    HA   THR   4           HA       THR   4  20.217 -11.402  -1.980
   21    HB   THR   4           HB       THR   4  19.916 -11.735  -4.365
   22    HG1  THR   4           HG1      THR   4  21.507  -9.830  -3.307
   23   1HG2  THR   4          HG21      THR   4  19.469  -9.490  -5.668
   24   2HG2  THR   4          HG22      THR   4  18.497  -9.140  -4.237
   25   3HG2  THR   4          HG23      THR   4  18.160 -10.576  -5.203
   26    H    GLY   5           HN       GLY   5  17.694  -9.483  -1.259
   27   1HA   GLY   5          HA1       GLY   5  18.657  -7.729   0.395
   28   2HA   GLY   5          HA2       GLY   5  19.280  -7.013  -1.083
   29    H    LYS   6           HN       LYS   6  16.177  -8.608  -0.987
   30    HA   LYS   6           HA       LYS   6  14.886  -6.085  -1.669
   31   1HB   LYS   6          HB2       LYS   6  14.486  -8.312  -2.894
   32   2HB   LYS   6          HB3       LYS   6  13.566  -8.796  -1.478
   33   1HG   LYS   6          HG2       LYS   6  12.102  -6.817  -1.823
   34   2HG   LYS   6          HG3       LYS   6  12.969  -6.497  -3.327
   35   1HD   LYS   6          HD3       LYS   6  12.324  -8.740  -4.140
   36   2HD   LYS   6          HD2       LYS   6  11.398  -8.986  -2.658
   37   1HE   LYS   6          HE2       LYS   6   9.901  -8.310  -4.412
   38   2HE   LYS   6          HE3       LYS   6  10.028  -7.012  -3.227
   39   1HZ   LYS   6          HZ1       LYS   6  10.464  -6.857  -5.961
   40   2HZ   LYS   6          HZ2       LYS   6  11.982  -6.658  -5.232
   41   3HZ   LYS   6          HZ3       LYS   6  10.695  -5.638  -4.804
   42    H    LEU   7           HN       LEU   7  15.791  -5.978   0.853
   43    HA   LEU   7           HA       LEU   7  13.404  -6.411   2.517
   44   1HB   LEU   7          HB2       LEU   7  15.399  -7.698   3.245
   45   2HB   LEU   7          HB3       LEU   7  16.275  -6.192   3.437
   46    HG   LEU   7           HG       LEU   7  14.605  -5.503   5.161
   47   1HD1  LEU   7          HD11      LEU   7  13.299  -7.881   4.193
   48   2HD1  LEU   7          HD12      LEU   7  13.550  -7.957   5.938
   49   3HD1  LEU   7          HD13      LEU   7  12.675  -6.600   5.235
   50   1HD2  LEU   7          HD21      LEU   7  16.136  -6.262   6.569
   51   2HD2  LEU   7          HD22      LEU   7  15.407  -7.864   6.495
   52   3HD2  LEU   7          HD23      LEU   7  16.692  -7.421   5.364
   53    H    GLY   8           HN       GLY   8  12.396  -4.519   2.158
   54   1HA   GLY   8          HA2       GLY   8  13.634  -2.171   3.384
   55   2HA   GLY   8          HA1       GLY   8  13.111  -2.024   1.709
   56    H    ARG   9           HN       ARG   9  11.832  -3.452   4.682
   57    HA   ARG   9           HA       ARG   9   9.126  -2.820   4.007
   58   1HB   ARG   9          HB2       ARG   9  10.358  -3.849   6.568
   59   2HB   ARG   9          HB3       ARG   9   8.630  -3.742   6.258
   60   1HG   ARG   9          HG3       ARG   9   8.714  -5.399   4.591
   61   2HG   ARG   9          HG2       ARG   9  10.473  -5.313   4.483
   62   1HD   ARG   9          HD3       ARG   9  10.679  -6.263   6.710
   63   2HD   ARG   9          HD2       ARG   9   8.924  -6.289   6.881
   64    HE   ARG   9           HE       ARG   9   9.529  -7.748   4.593
   65   1HH1  ARG   9          HH11      ARG   9   9.927  -8.271   8.178
   66   2HH1  ARG   9          HH12      ARG   9  11.283  -9.236   7.649
   67   1HH2  ARG   9          HH21      ARG   9  10.638 -10.360   5.109
   68   2HH2  ARG   9          HH22      ARG   9   8.947 -10.499   5.518
   69    H    ILE  10           HN       ILE  10  10.381  -0.486   3.869
   70    HA   ILE  10           HA       ILE  10  10.267   1.033   6.287
   71    HB   ILE  10           HB       ILE  10  11.804   1.464   4.343
   72   1HG1  ILE  10          HG12      ILE  10  10.058   3.828   5.059
   73   2HG1  ILE  10          HG13      ILE  10  11.339   3.185   6.085
   74   1HG2  ILE  10          HG21      ILE  10   9.677   1.218   2.763
   75   2HG2  ILE  10          HG22      ILE  10   9.690   2.974   2.931
   76   3HG2  ILE  10          HG23      ILE  10  11.107   2.139   2.299
   77   1HD1  ILE  10          HD11      ILE  10  11.605   4.513   3.408
   78   2HD1  ILE  10          HD12      ILE  10  12.237   5.053   4.965
   79   3HD1  ILE  10          HD13      ILE  10  12.920   3.628   4.179
   80    H    ILE  11           HN       ILE  11   8.936   3.171   6.147
   81    HA   ILE  11           HA       ILE  11   6.929   4.154   6.373
   82    HB   ILE  11           HB       ILE  11   6.227   2.720   3.804
   83   1HG1  ILE  11          HG13      ILE  11   7.437   5.446   4.326
   84   2HG1  ILE  11          HG12      ILE  11   8.200   4.096   3.491
   85   1HG2  ILE  11          HG21      ILE  11   4.996   5.193   5.024
   86   2HG2  ILE  11          HG22      ILE  11   4.525   4.418   3.511
   87   3HG2  ILE  11          HG23      ILE  11   4.265   3.587   5.046
   88   1HD1  ILE  11          HD11      ILE  11   6.756   6.192   2.355
   89   2HD1  ILE  11          HD12      ILE  11   7.331   4.729   1.552
   90   3HD1  ILE  11          HD13      ILE  11   5.705   4.779   2.232
   91    H    ARG  12           HN       ARG  12   5.209   1.517   4.787
   92    HA   ARG  12           HA       ARG  12   4.566   0.242   7.298
   93   1HB   ARG  12          HB2       ARG  12   3.123   2.450   6.791
   94   2HB   ARG  12          HB3       ARG  12   2.177   1.281   5.879
   95   1HG   ARG  12          HG3       ARG  12   1.193   1.375   7.998
   96   2HG   ARG  12          HG2       ARG  12   2.135  -0.118   7.984
   97   1HD   ARG  12          HD3       ARG  12   3.963   1.061   9.143
   98   2HD   ARG  12          HD2       ARG  12   2.955   2.506   9.218
   99    HE   ARG  12           HE       ARG  12   1.603   0.282  10.350
  100   1HH1  ARG  12          HH12      ARG  12   3.442   3.199  11.513
  101   2HH1  ARG  12          HH11      ARG  12   4.593   1.999  12.029
  102   1HH2  ARG  12          HH22      ARG  12   1.154   0.872  12.856
  103   2HH2  ARG  12          HH21      ARG  12   2.675   0.150  13.318
  104    H    HIS  13           HN       HIS  13   3.146  -1.630   7.004
  105    HA   HIS  13           HA       HIS  13   2.563  -2.500   4.302
  106   1HB   HIS  13          HB2       HIS  13   3.815  -4.592   4.446
  107   2HB   HIS  13          HB3       HIS  13   4.910  -3.223   4.579
  108    HD1  HIS  13           HD1      HIS  13   5.687  -2.663   7.151
  109    HD2  HIS  13           HD2      HIS  13   4.082  -6.437   6.418
  110    HE1  HIS  13           HE1      HIS  13   6.362  -4.088   9.111
  111    HE2  HIS  13           HE2      HIS  13   5.319  -6.342   8.694
  112    H    ASP  14           HN       ASP  14   0.684  -3.635   4.305
  113    HA   ASP  14           HA       ASP  14  -0.042  -5.297   6.556
  114   1HB   ASP  14          HB3       ASP  14  -0.715  -3.035   7.319
  115   2HB   ASP  14          HB2       ASP  14  -1.760  -2.887   5.905
  116    H    ALA  15           HN       ALA  15  -1.923  -6.559   6.177
  117    HA   ALA  15           HA       ALA  15  -2.393  -7.013   3.323
  118   1HB   ALA  15          HB1       ALA  15  -1.733  -8.925   4.715
  119   2HB   ALA  15          HB2       ALA  15  -3.190  -8.711   5.684
  120   3HB   ALA  15          HB3       ALA  15  -3.322  -9.158   3.985
  121    H    PHE  16           HN       PHE  16  -4.039  -5.917   2.451
  122    HA   PHE  16           HA       PHE  16  -6.415  -5.382   4.100
  123   1HB   PHE  16          HB2       PHE  16  -5.329  -4.051   1.626
  124   2HB   PHE  16          HB3       PHE  16  -6.971  -3.775   2.186
  125    HD1  PHE  16           HD1      PHE  16  -3.546  -3.797   3.696
  126    HD2  PHE  16           HD2      PHE  16  -7.300  -1.836   3.304
  127    HE1  PHE  16           HE1      PHE  16  -2.739  -1.969   5.129
  128    HE2  PHE  16           HE2      PHE  16  -6.497  -0.003   4.732
  129    HZ   PHE  16           HZ       PHE  16  -4.215  -0.069   5.650
  130    H    GLN  17           HN       GLN  17  -8.442  -5.863   3.402
  131    HA   GLN  17           HA       GLN  17  -8.671  -7.697   1.116
  132   1HB   GLN  17          HB3       GLN  17  -9.385  -8.706   3.250
  133   2HB   GLN  17          HB2       GLN  17 -10.452  -7.347   3.558
  134   1HG   GLN  17          HG3       GLN  17 -11.744  -9.237   2.853
  135   2HG   GLN  17          HG2       GLN  17 -11.805  -7.991   1.609
  136   1HE2  GLN  17          HE21      GLN  17 -11.460 -11.210   2.133
  137   2HE2  GLN  17          HE22      GLN  17 -10.918 -11.622   0.550
  138    H    VAL  18           HN       VAL  18  -8.749  -6.135  -0.385
  139    HA   VAL  18           HA       VAL  18 -10.946  -4.188  -0.204
  140    HB   VAL  18           HB       VAL  18  -8.899  -3.059   0.069
  141   1HG1  VAL  18          HG11      VAL  18  -7.348  -4.715  -0.570
  142   2HG1  VAL  18          HG12      VAL  18  -7.912  -4.703  -2.242
  143   3HG1  VAL  18          HG13      VAL  18  -7.035  -3.312  -1.592
  144   1HG2  VAL  18          HG21      VAL  18  -8.700  -1.652  -1.961
  145   2HG2  VAL  18          HG22      VAL  18  -9.784  -2.774  -2.789
  146   3HG2  VAL  18          HG23      VAL  18 -10.366  -1.866  -1.396
  147    H    TRP  19           HN       TRP  19 -11.684  -3.298  -2.201
  148    HA   TRP  19           HA       TRP  19 -12.074  -5.283  -4.315
  149   1HB   TRP  19          HB2       TRP  19 -13.552  -2.678  -4.017
  150   2HB   TRP  19          HB3       TRP  19 -14.124  -4.193  -4.709
  151    HD1  TRP  19           HD1      TRP  19 -15.179  -5.976  -3.055
  152    HE1  TRP  19           HE1      TRP  19 -15.931  -5.868  -0.593
  153    HE3  TRP  19           HE3      TRP  19 -12.938  -1.533  -1.682
  154    HZ2  TRP  19           HZ2      TRP  19 -15.604  -4.156   1.618
  155    HZ3  TRP  19           HZ3      TRP  19 -13.195  -0.785   0.599
  156    HH2  TRP  19           HH2      TRP  19 -14.508  -2.046   2.230
  157    H    GLU  20           HN       GLU  20 -10.110  -4.867  -5.535
  158    HA   GLU  20           HA       GLU  20  -9.615  -2.104  -6.305
  159   1HB   GLU  20          HB2       GLU  20  -7.795  -3.712  -7.684
  160   2HB   GLU  20          HB3       GLU  20  -7.495  -2.792  -6.217
  161   1HG   GLU  20          HG3       GLU  20  -6.754  -4.940  -5.727
  162   2HG   GLU  20          HG2       GLU  20  -8.339  -4.843  -4.962
  163    H    GLY  21           HN       GLY  21 -10.252  -1.206  -8.127
  164   1HA   GLY  21          HA2       GLY  21 -10.992  -0.959 -10.299
  165   2HA   GLY  21          HA1       GLY  21 -10.543  -2.637 -10.596
  166    H    ASP  22           HN       ASP  22 -12.489  -2.027  -7.900
  167    HA   ASP  22           HA       ASP  22 -14.615  -2.449  -7.316
  168   1HB   ASP  22          HB3       ASP  22 -15.020  -1.691 -10.170
  169   2HB   ASP  22          HB2       ASP  22 -16.351  -2.457  -9.307
  170    H    GLU  23           HN       GLU  23 -12.693  -4.426  -8.753
  171    HA   GLU  23           HA       GLU  23 -14.364  -6.589  -9.595
  172   1HB   GLU  23          HB2       GLU  23 -11.461  -6.186  -9.016
  173   2HB   GLU  23          HB3       GLU  23 -12.080  -7.829  -9.043
  174   1HG   GLU  23          HG3       GLU  23 -13.087  -6.875 -11.358
  175   2HG   GLU  23          HG2       GLU  23 -11.573  -5.970 -11.240
  176    HA   PRO  24           HA       PRO  24 -15.246  -8.650  -5.776
  177   1HB   PRO  24          HB2       PRO  24 -14.058 -11.135  -6.038
  178   2HB   PRO  24          HB3       PRO  24 -15.636 -10.704  -6.702
  179   1HG   PRO  24          HG2       PRO  24 -12.977 -10.819  -8.056
  180   2HG   PRO  24          HG3       PRO  24 -14.571 -11.307  -8.664
  181   1HD   PRO  24          HD3       PRO  24 -13.420  -8.993  -9.409
  182   2HD   PRO  24          HD2       PRO  24 -15.176  -9.131  -9.184
  183    HA   PRO  25           HA       PRO  25 -11.934  -7.492  -3.123
  184   1HB   PRO  25          HB3       PRO  25 -12.550  -9.430  -1.146
  185   2HB   PRO  25          HB2       PRO  25 -13.068  -7.745  -1.194
  186   1HG   PRO  25          HG3       PRO  25 -14.505 -10.196  -2.081
  187   2HG   PRO  25          HG2       PRO  25 -15.151  -8.705  -1.367
  188   1HD   PRO  25          HD3       PRO  25 -15.435  -9.184  -3.969
  189   2HD   PRO  25          HD2       PRO  25 -15.039  -7.548  -3.395
  190    H    LYS  26           HN       LYS  26  -9.909  -8.040  -2.726
  191    HA   LYS  26           HA       LYS  26  -9.050 -10.827  -2.935
  192   1HB   LYS  26          HB3       LYS  26  -7.652  -8.580  -4.419
  193   2HB   LYS  26          HB2       LYS  26  -7.155 -10.262  -4.365
  194   1HG   LYS  26          HG2       LYS  26  -9.231 -10.872  -5.568
  195   2HG   LYS  26          HG3       LYS  26  -9.599  -9.152  -5.720
  196   1HD   LYS  26          HD2       LYS  26  -7.328  -8.903  -6.823
  197   2HD   LYS  26          HD3       LYS  26  -7.279 -10.666  -6.900
  198   1HE   LYS  26          HE2       LYS  26  -8.087  -9.753  -8.997
  199   2HE   LYS  26          HE3       LYS  26  -9.363 -10.663  -8.189
  200   1HZ   LYS  26          HZ1       LYS  26  -9.797  -8.296  -9.202
  201   2HZ   LYS  26          HZ2       LYS  26  -9.206  -7.779  -7.691
  202   3HZ   LYS  26          HZ3       LYS  26 -10.557  -8.793  -7.769
  203    H    LEU  27           HN       LEU  27  -7.257 -11.258  -1.642
  204    HA   LEU  27           HA       LEU  27  -6.790  -9.336   0.422
  205   1HB   LEU  27          HB3       LEU  27  -6.859 -11.772   0.844
  206   2HB   LEU  27          HB2       LEU  27  -5.399 -11.965  -0.102
  207    HG   LEU  27           HG       LEU  27  -4.086 -10.819   1.536
  208   1HD1  LEU  27          HD21      LEU  27  -4.866  -9.293   2.954
  209   2HD1  LEU  27          HD22      LEU  27  -6.421  -9.443   2.140
  210   3HD1  LEU  27          HD23      LEU  27  -6.091 -10.397   3.581
  211   1HD2  LEU  27          HD11      LEU  27  -4.026 -12.536   2.977
  212   2HD2  LEU  27          HD12      LEU  27  -5.718 -12.334   3.436
  213   3HD2  LEU  27          HD13      LEU  27  -5.306 -13.210   1.966
  214    H    ARG  28           HN       ARG  28  -5.984  -7.603  -0.622
  215    HA   ARG  28           HA       ARG  28  -3.543  -7.773  -2.165
  216   1HB   ARG  28          HB2       ARG  28  -5.415  -5.523  -1.444
  217   2HB   ARG  28          HB3       ARG  28  -3.886  -5.239  -2.262
  218   1HG   ARG  28          HG3       ARG  28  -5.929  -7.130  -3.364
  219   2HG   ARG  28          HG2       ARG  28  -5.982  -5.394  -3.687
  220   1HD   ARG  28          HD3       ARG  28  -3.647  -5.543  -4.522
  221   2HD   ARG  28          HD2       ARG  28  -3.738  -7.294  -4.338
  222    HE   ARG  28           HE       ARG  28  -5.889  -6.658  -5.893
  223   1HH1  ARG  28          HH12      ARG  28  -2.727  -5.058  -7.055
  224   2HH1  ARG  28          HH11      ARG  28  -2.228  -6.729  -7.010
  225   1HH2  ARG  28          HH22      ARG  28  -5.877  -6.451  -8.177
  226   2HH2  ARG  28          HH21      ARG  28  -4.381  -6.894  -8.943
  227    H    TYR  29           HN       TYR  29  -1.727  -7.968  -1.076
  228    HA   TYR  29           HA       TYR  29  -1.388  -6.905   1.568
  229   1HB   TYR  29          HB3       TYR  29   0.489  -8.245  -0.380
  230   2HB   TYR  29          HB2       TYR  29   1.045  -7.600   1.159
  231    HD1  TYR  29           HD1      TYR  29  -1.655  -9.856  -0.133
  232    HD2  TYR  29           HD2      TYR  29   1.194  -9.073   2.930
  233    HE1  TYR  29           HE1      TYR  29  -2.266 -11.964   0.968
  234    HE2  TYR  29           HE2      TYR  29   0.583 -11.181   4.041
  235    HH   TYR  29           HH       TYR  29  -1.849 -13.364   2.627
  236    H    VAL  30           HN       VAL  30  -1.201  -4.846   1.871
  237    HA   VAL  30           HA       VAL  30  -0.138  -3.101  -0.211
  238    HB   VAL  30           HB       VAL  30  -1.316  -2.267   2.440
  239   1HG1  VAL  30          HG21      VAL  30  -0.822  -0.210   1.768
  240   2HG1  VAL  30          HG22      VAL  30  -0.114  -0.846   0.283
  241   3HG1  VAL  30          HG23      VAL  30  -1.827  -0.441   0.337
  242   1HG2  VAL  30          HG11      VAL  30  -3.294  -2.976   1.719
  243   2HG2  VAL  30          HG12      VAL  30  -3.172  -1.833   0.380
  244   3HG2  VAL  30          HG13      VAL  30  -2.594  -3.489   0.183
  245    H    PHE  31           HN       PHE  31   2.011  -2.896  -0.233
  246    HA   PHE  31           HA       PHE  31   3.344  -2.340   2.344
  247   1HB   PHE  31          HB3       PHE  31   4.808  -3.381  -0.073
  248   2HB   PHE  31          HB2       PHE  31   5.343  -3.357   1.599
  249    HD1  PHE  31           HD1      PHE  31   3.391  -5.111  -0.920
  250    HD2  PHE  31           HD2      PHE  31   4.659  -5.079   3.150
  251    HE1  PHE  31           HE1      PHE  31   2.765  -7.476  -0.701
  252    HE2  PHE  31           HE2      PHE  31   4.032  -7.450   3.367
  253    HZ   PHE  31           HZ       PHE  31   3.084  -8.649   1.438
  254    H    LEU  32           HN       LEU  32   3.841  -0.186   2.419
  255    HA   LEU  32           HA       LEU  32   4.364   1.138  -0.150
  256   1HB   LEU  32          HB2       LEU  32   4.482   2.755   2.303
  257   2HB   LEU  32          HB3       LEU  32   3.746   3.087   0.746
  258    HG   LEU  32           HG       LEU  32   2.478   1.262   2.794
  259   1HD1  LEU  32          HD11      LEU  32   2.837   3.753   3.453
  260   2HD1  LEU  32          HD12      LEU  32   1.581   4.069   2.258
  261   3HD1  LEU  32          HD13      LEU  32   1.238   3.031   3.643
  262   1HD2  LEU  32          HD21      LEU  32   1.404   2.667   0.354
  263   2HD2  LEU  32          HD22      LEU  32   1.781   0.950   0.472
  264   3HD2  LEU  32          HD23      LEU  32   0.480   1.638   1.448
  265    H    PHE  33           HN       PHE  33   6.378   0.869  -0.729
  266    HA   PHE  33           HA       PHE  33   8.449   0.910   1.344
  267   1HB   PHE  33          HB2       PHE  33   8.359  -0.371  -1.379
  268   2HB   PHE  33          HB3       PHE  33   9.875  -0.166  -0.509
  269    HD1  PHE  33           HD1      PHE  33   9.629  -2.790  -1.038
  270    HD2  PHE  33           HD2      PHE  33   7.414  -0.636   1.889
  271    HE1  PHE  33           HE1      PHE  33   9.196  -4.886   0.180
  272    HE2  PHE  33           HE2      PHE  33   6.982  -2.722   3.106
  273    HZ   PHE  33           HZ       PHE  33   7.871  -4.851   2.254
  274    H    ARG  34           HN       ARG  34   7.488   3.388   0.514
  275    HA   ARG  34           HA       ARG  34   8.265   5.458   0.014
  276   1HB   ARG  34          HB3       ARG  34  10.232   4.895   1.240
  277   2HB   ARG  34          HB2       ARG  34  10.883   3.974  -0.106
  278   1HG   ARG  34          HG2       ARG  34  11.053   6.083  -1.397
  279   2HG   ARG  34          HG3       ARG  34  10.549   6.960   0.053
  280   1HD   ARG  34          HD3       ARG  34  12.470   5.955   1.258
  281   2HD   ARG  34          HD2       ARG  34  12.993   5.220  -0.255
  282    HE   ARG  34           HE       ARG  34  12.674   8.064  -0.465
  283   1HH1  ARG  34          HH12      ARG  34  15.317   5.732  -0.813
  284   2HH1  ARG  34          HH11      ARG  34  15.742   6.050   0.849
  285   1HH2  ARG  34          HH21      ARG  34  15.155   8.961  -1.179
  286   2HH2  ARG  34          HH22      ARG  34  15.477   9.119   0.529
  287    H    ASN  35           HN       ASN  35  10.030   3.249  -2.180
  288    HA   ASN  35           HA       ASN  35  10.028   5.085  -4.340
  289   1HB   ASN  35          HB2       ASN  35  10.337   2.075  -4.504
  290   2HB   ASN  35          HB3       ASN  35  10.867   3.256  -5.698
  291   1HD2  ASN  35          HD21      ASN  35  12.142   1.205  -3.757
  292   2HD2  ASN  35          HD22      ASN  35  13.377   2.087  -2.931
  293    H    LYS  36           HN       LYS  36   7.788   2.662  -3.259
  294    HA   LYS  36           HA       LYS  36   5.666   3.688  -4.807
  295   1HB   LYS  36          HB2       LYS  36   5.279   1.903  -6.366
  296   2HB   LYS  36          HB3       LYS  36   6.936   2.444  -6.595
  297   1HG   LYS  36          HG2       LYS  36   7.795   0.538  -5.432
  298   2HG   LYS  36          HG3       LYS  36   6.173   0.056  -4.929
  299   1HD   LYS  36          HD2       LYS  36   5.572  -0.286  -7.301
  300   2HD   LYS  36          HD3       LYS  36   7.233   0.101  -7.754
  301   1HE   LYS  36          HE2       LYS  36   8.068  -1.810  -6.574
  302   2HE   LYS  36          HE3       LYS  36   6.479  -2.141  -5.884
  303   1HZ   LYS  36          HZ1       LYS  36   7.513  -3.188  -8.200
  304   2HZ   LYS  36          HZ2       LYS  36   6.381  -2.042  -8.733
  305   3HZ   LYS  36          HZ3       LYS  36   5.900  -3.282  -7.685
  306    H    ILE  37           HN       ILE  37   3.782   2.009  -4.754
  307    HA   ILE  37           HA       ILE  37   3.714   0.894  -2.035
  308    HB   ILE  37           HB       ILE  37   1.441   1.484  -3.959
  309   1HG1  ILE  37          HG12      ILE  37   2.265   2.891  -1.413
  310   2HG1  ILE  37          HG13      ILE  37   2.554   3.494  -3.041
  311   1HG2  ILE  37          HG21      ILE  37   0.431  -0.109  -2.701
  312   2HG2  ILE  37          HG22      ILE  37   1.586   0.057  -1.377
  313   3HG2  ILE  37          HG23      ILE  37   0.267   1.215  -1.545
  314   1HD1  ILE  37          HD11      ILE  37   0.610   4.511  -1.844
  315   2HD1  ILE  37          HD12      ILE  37   0.236   3.819  -3.422
  316   3HD1  ILE  37          HD13      ILE  37  -0.191   2.945  -1.950
  317    H    MET  38           HN       MET  38   4.747  -1.046  -2.393
  318    HA   MET  38           HA       MET  38   4.295  -2.704  -4.631
  319   1HB   MET  38          HB2       MET  38   6.319  -2.751  -3.116
  320   2HB   MET  38          HB3       MET  38   5.325  -3.590  -1.934
  321   1HG   MET  38          HG2       MET  38   5.002  -5.435  -3.463
  322   2HG   MET  38          HG3       MET  38   5.889  -4.579  -4.724
  323   1HE   MET  38          HE1       MET  38   7.737  -6.033  -0.784
  324   2HE   MET  38          HE2       MET  38   6.155  -5.284  -1.011
  325   3HE   MET  38          HE3       MET  38   6.410  -6.965  -1.477
  326    H    PHE  39           HN       PHE  39   2.663  -3.902  -5.093
  327    HA   PHE  39           HA       PHE  39   0.782  -4.681  -2.971
  328   1HB   PHE  39          HB3       PHE  39   0.476  -3.482  -5.551
  329   2HB   PHE  39          HB2       PHE  39  -0.376  -5.019  -5.523
  330    HD1  PHE  39           HD1      PHE  39  -2.385  -3.644  -5.943
  331    HD2  PHE  39           HD2      PHE  39  -0.126  -3.330  -2.356
  332    HE1  PHE  39           HE1      PHE  39  -4.295  -2.550  -4.851
  333    HE2  PHE  39           HE2      PHE  39  -2.040  -2.245  -1.250
  334    HZ   PHE  39           HZ       PHE  39  -4.125  -1.852  -2.497
  335    H    THR  40           HN       THR  40   0.144  -6.782  -2.797
  336    HA   THR  40           HA       THR  40   1.088  -8.699  -4.796
  337    HB   THR  40           HB       THR  40   1.325  -9.283  -1.841
  338    HG1  THR  40           HG1      THR  40   2.905  -7.729  -3.363
  339   1HG2  THR  40          HG21      THR  40   1.725 -11.339  -2.567
  340   2HG2  THR  40          HG22      THR  40   3.190 -10.718  -3.329
  341   3HG2  THR  40          HG23      THR  40   1.685 -10.807  -4.248
  342    H    GLU  41           HN       GLU  41  -0.429 -10.112  -5.352
  343    HA   GLU  41           HA       GLU  41  -3.033  -9.873  -4.108
  344   1HB   GLU  41          HB2       GLU  41  -2.170 -11.481  -6.516
  345   2HB   GLU  41          HB3       GLU  41  -3.827 -11.181  -6.017
  346   1HG   GLU  41          HG3       GLU  41  -3.493  -9.685  -7.747
  347   2HG   GLU  41          HG2       GLU  41  -3.263  -8.701  -6.304
  348    H    GLN  42           HN       GLN  42  -4.339 -11.720  -3.585
  349    HA   GLN  42           HA       GLN  42  -3.278 -14.320  -3.315
  350   1HB   GLN  42          HB3       GLN  42  -2.093 -13.109  -1.418
  351   2HB   GLN  42          HB2       GLN  42  -3.675 -12.905  -0.674
  352   1HG   GLN  42          HG3       GLN  42  -3.962 -15.334  -0.625
  353   2HG   GLN  42          HG2       GLN  42  -2.378 -15.532  -1.368
  354   1HE2  GLN  42          HE21      GLN  42  -0.836 -16.034  -0.021
  355   2HE2  GLN  42          HE22      GLN  42  -0.661 -15.440   1.592
  356    H    ASP  43           HN       ASP  43  -4.937 -15.655  -3.372
  357    HA   ASP  43           HA       ASP  43  -7.607 -14.612  -2.725
  358   1HB   ASP  43          HB3       ASP  43  -6.718 -16.826  -4.580
  359   2HB   ASP  43          HB2       ASP  43  -8.399 -16.591  -4.112
  360    H    ALA  44           HN       ALA  44  -7.986 -15.111  -0.638
  361    HA   ALA  44           HA       ALA  44  -7.093 -17.641   0.447
  362   1HB   ALA  44          HB1       ALA  44  -7.298 -16.687   2.462
  363   2HB   ALA  44          HB2       ALA  44  -7.410 -15.187   1.544
  364   3HB   ALA  44          HB3       ALA  44  -8.879 -16.001   2.090
  365    H    SER  45           HN       SER  45  -9.344 -17.333  -1.629
  366    HA   SER  45           HA       SER  45 -11.720 -18.237  -0.335
  367   1HB   SER  45          HB3       SER  45 -10.928 -18.455  -3.246
  368   2HB   SER  45          HB2       SER  45 -12.562 -18.578  -2.595
  369    HG   SER  45           HG       SER  45 -12.181 -16.383  -1.764
  370    H    THR  46           HN       THR  46  -8.879 -19.698  -1.577
  371    HA   THR  46           HA       THR  46  -9.824 -22.342  -0.747
  372    HB   THR  46           HB       THR  46  -8.424 -23.199  -2.762
  373    HG1  THR  46           HG1      THR  46  -7.896 -21.796  -4.275
  374   1HG2  THR  46          HG21      THR  46 -10.659 -21.885  -4.049
  375   2HG2  THR  46          HG22      THR  46 -11.113 -22.690  -2.546
  376   3HG2  THR  46          HG23      THR  46 -10.323 -23.601  -3.835
  377    H    SER  47           HN       SER  47  -7.220 -23.561  -1.470
  378    HA   SER  47           HA       SER  47  -5.688 -22.345   0.694
  379   1HB   SER  47          HB3       SER  47  -5.226 -24.953  -0.776
  380   2HB   SER  47          HB2       SER  47  -4.284 -24.373   0.599
  381    HG   SER  47           HG       SER  47  -7.032 -24.443   0.960
  382    HA   PRO  48           HA       PRO  48  -2.539 -21.835  -2.804
  383   1HB   PRO  48          HB3       PRO  48  -3.329 -22.816  -5.338
  384   2HB   PRO  48          HB2       PRO  48  -2.133 -23.532  -4.258
  385   1HG   PRO  48          HG2       PRO  48  -4.625 -24.623  -4.964
  386   2HG   PRO  48          HG3       PRO  48  -3.539 -25.199  -3.690
  387   1HD   PRO  48          HD2       PRO  48  -5.998 -23.562  -3.482
  388   2HD   PRO  48          HD3       PRO  48  -5.270 -24.670  -2.302
  389    HA   PRO  49           HA       PRO  49  -5.262 -18.449  -4.012
  390   1HB   PRO  49          HB2       PRO  49  -3.500 -16.465  -3.731
  391   2HB   PRO  49          HB3       PRO  49  -4.164 -17.308  -2.323
  392   1HG   PRO  49          HG3       PRO  49  -1.560 -17.765  -3.743
  393   2HG   PRO  49          HG2       PRO  49  -1.844 -17.544  -2.005
  394   1HD   PRO  49          HD2       PRO  49  -1.573 -19.995  -3.111
  395   2HD   PRO  49          HD3       PRO  49  -2.665 -19.700  -1.741
  396    H    SER  50           HN       SER  50  -4.830 -16.431  -5.426
  397    HA   SER  50           HA       SER  50  -3.394 -17.208  -7.863
  398   1HB   SER  50          HB2       SER  50  -6.062 -15.773  -7.710
  399   2HB   SER  50          HB3       SER  50  -5.206 -16.225  -9.184
  400    HG   SER  50           HG       SER  50  -6.777 -17.747  -7.517
  401    H    TYR  51           HN       TYR  51  -2.869 -15.260  -9.216
  402    HA   TYR  51           HA       TYR  51  -2.587 -12.842  -7.567
  403   1HB   TYR  51          HB2       TYR  51  -0.424 -14.200  -9.188
  404   2HB   TYR  51          HB3       TYR  51  -0.301 -12.538  -8.634
  405    HD1  TYR  51           HD1      TYR  51  -0.920 -15.964  -7.281
  406    HD2  TYR  51           HD2      TYR  51   0.795 -12.123  -6.647
  407    HE1  TYR  51           HE1      TYR  51   0.060 -16.761  -5.177
  408    HE2  TYR  51           HE2      TYR  51   1.784 -12.913  -4.534
  409    HH   TYR  51           HH       TYR  51   1.278 -14.722  -2.830
  410    H    THR  52           HN       THR  52  -2.028 -10.930  -8.878
  411    HA   THR  52           HA       THR  52  -3.256 -11.097 -11.551
  412    HB   THR  52           HB       THR  52  -2.978  -8.573  -9.910
  413    HG1  THR  52           HG1      THR  52  -4.987 -10.565  -9.808
  414   1HG2  THR  52          HG21      THR  52  -3.589  -8.555 -12.394
  415   2HG2  THR  52          HG22      THR  52  -4.622  -7.660 -11.276
  416   3HG2  THR  52          HG23      THR  52  -5.130  -9.238 -11.878
  417    H    HIS  53           HN       HIS  53  -0.577 -11.625 -10.487
  418    HA   HIS  53           HA       HIS  53   1.570 -11.489 -11.085
  419   1HB   HIS  53          HB3       HIS  53   0.543 -11.569 -13.384
  420   2HB   HIS  53          HB2       HIS  53   0.693  -9.816 -13.438
  421    HD1  HIS  53           HD1      HIS  53   3.201 -12.505 -12.384
  422    HD2  HIS  53           HD2      HIS  53   2.811  -9.306 -15.023
  423    HE1  HIS  53           HE1      HIS  53   5.416 -12.319 -13.566
  424    HE2  HIS  53           HE2      HIS  53   5.149 -10.408 -15.184
  425    H    TYR  54           HN       TYR  54   0.978  -9.856  -9.097
  426    HA   TYR  54           HA       TYR  54   1.663  -8.064  -7.903
  427   1HB   TYR  54          HB3       TYR  54   3.852  -8.071  -9.983
  428   2HB   TYR  54          HB2       TYR  54   3.856  -7.012  -8.580
  429    HD1  TYR  54           HD1      TYR  54   3.678 -10.622  -9.488
  430    HD2  TYR  54           HD2      TYR  54   4.864  -7.722  -6.611
  431    HE1  TYR  54           HE1      TYR  54   4.775 -12.385  -8.173
  432    HE2  TYR  54           HE2      TYR  54   5.969  -9.476  -5.290
  433    HH   TYR  54           HH       TYR  54   6.563 -11.614  -5.191
  434    H    SER  55           HN       SER  55  -0.295  -6.992  -8.551
  435    HA   SER  55           HA       SER  55   0.028  -4.891 -10.576
  436   1HB   SER  55          HB3       SER  55  -2.404  -5.412  -8.855
  437   2HB   SER  55          HB2       SER  55  -2.328  -4.516 -10.373
  438    HG   SER  55           HG       SER  55  -1.361  -6.915 -10.857
  439    H    SER  56           HN       SER  56   1.727  -3.914  -9.276
  440    HA   SER  56           HA       SER  56   1.093  -2.771  -6.735
  441   1HB   SER  56          HB3       SER  56   3.390  -1.668  -7.131
  442   2HB   SER  56          HB2       SER  56   3.322  -3.423  -6.969
  443    HG   SER  56           HG       SER  56   3.353  -1.996  -9.437
  444    H    ILE  57           HN       ILE  57   1.495  -0.554  -6.227
  445    HA   ILE  57           HA       ILE  57   0.364   1.316  -8.204
  446    HB   ILE  57           HB       ILE  57   0.209   1.138  -5.198
  447   1HG1  ILE  57          HG12      ILE  57  -1.493   0.010  -6.634
  448   2HG1  ILE  57          HG13      ILE  57  -2.166   1.206  -5.532
  449   1HG2  ILE  57          HG21      ILE  57   0.550   3.567  -6.574
  450   2HG2  ILE  57          HG22      ILE  57  -1.156   3.479  -6.138
  451   3HG2  ILE  57          HG23      ILE  57   0.083   3.333  -4.891
  452   1HD1  ILE  57          HD11      ILE  57  -3.144   1.230  -7.816
  453   2HD1  ILE  57          HD12      ILE  57  -2.462   2.775  -7.297
  454   3HD1  ILE  57          HD13      ILE  57  -1.574   1.751  -8.428
  455    H    ARG  58           HN       ARG  58   1.367   3.495  -8.239
  456    HA   ARG  58           HA       ARG  58   4.193   3.374  -7.478
  457   1HB   ARG  58          HB2       ARG  58   4.589   5.096  -9.082
  458   2HB   ARG  58          HB3       ARG  58   3.522   3.936  -9.860
  459   1HG   ARG  58          HG3       ARG  58   1.607   5.397  -9.379
  460   2HG   ARG  58          HG2       ARG  58   2.706   6.568  -8.649
  461   1HD   ARG  58          HD3       ARG  58   2.744   5.637 -11.515
  462   2HD   ARG  58          HD2       ARG  58   2.169   7.199 -10.930
  463    HE   ARG  58           HE       ARG  58   4.823   6.858 -10.088
  464   1HH1  ARG  58          HH11      ARG  58   3.246   7.898 -13.326
  465   2HH1  ARG  58          HH12      ARG  58   4.523   6.845 -13.866
  466   1HH2  ARG  58          HH21      ARG  58   6.170   8.847 -11.461
  467   2HH2  ARG  58          HH22      ARG  58   6.635   7.609 -12.602
  468    H    LEU  59           HN       LEU  59   5.137   5.151  -6.323
  469    HA   LEU  59           HA       LEU  59   3.155   6.617  -4.715
  470   1HB   LEU  59          HB2       LEU  59   5.026   4.996  -3.748
  471   2HB   LEU  59          HB3       LEU  59   6.031   6.420  -3.943
  472    HG   LEU  59           HG       LEU  59   4.572   7.692  -2.454
  473   1HD1  LEU  59          HD11      LEU  59   2.794   5.455  -2.947
  474   2HD1  LEU  59          HD12      LEU  59   2.969   5.807  -1.227
  475   3HD1  LEU  59          HD13      LEU  59   2.442   7.074  -2.338
  476   1HD2  LEU  59          HD21      LEU  59   5.462   6.863  -0.549
  477   2HD2  LEU  59          HD22      LEU  59   4.989   5.203  -0.911
  478   3HD2  LEU  59          HD23      LEU  59   6.398   5.910  -1.700
  479    H    ASP  60           HN       ASP  60   3.477   7.643  -7.137
  480    HA   ASP  60           HA       ASP  60   5.126  10.018  -6.672
  481   1HB   ASP  60          HB3       ASP  60   6.375   8.562  -8.182
  482   2HB   ASP  60          HB2       ASP  60   4.972   8.403  -9.231
  483    H    LYS  61           HN       LYS  61   3.034   8.866  -9.322
  484    HA   LYS  61           HA       LYS  61   1.575  11.398  -9.133
  485   1HB   LYS  61          HB2       LYS  61   1.921   9.456 -11.402
  486   2HB   LYS  61          HB3       LYS  61   0.777  10.788 -11.453
  487   1HG   LYS  61          HG3       LYS  61   2.732  12.320 -10.997
  488   2HG   LYS  61          HG2       LYS  61   3.771  10.924 -11.301
  489   1HD   LYS  61          HD3       LYS  61   2.890  10.689 -13.525
  490   2HD   LYS  61          HD2       LYS  61   1.703  11.958 -13.231
  491   1HE   LYS  61          HE2       LYS  61   3.579  13.556 -12.901
  492   2HE   LYS  61          HE3       LYS  61   4.698  12.273 -13.362
  493   1HZ   LYS  61          HZ1       LYS  61   3.453  14.028 -15.049
  494   2HZ   LYS  61          HZ2       LYS  61   2.594  12.581 -15.262
  495   3HZ   LYS  61          HZ3       LYS  61   4.274  12.613 -15.498
  496    H    TYR  62           HN       TYR  62   0.408  10.333  -7.245
  497    HA   TYR  62           HA       TYR  62  -2.068   9.242  -8.331
  498   1HB   TYR  62          HB3       TYR  62  -2.175   7.337  -7.020
  499   2HB   TYR  62          HB2       TYR  62  -0.451   7.398  -7.366
  500    HD1  TYR  62           HD1      TYR  62   1.006   8.672  -5.569
  501    HD2  TYR  62           HD2      TYR  62  -2.868   7.066  -4.845
  502    HE1  TYR  62           HE1      TYR  62   1.460   8.663  -3.146
  503    HE2  TYR  62           HE2      TYR  62  -2.427   7.049  -2.439
  504    HH   TYR  62           HH       TYR  62   0.634   7.453  -1.093
  505    H    ASN  63           HN       ASN  63  -3.910   9.826  -7.146
  506    HA   ASN  63           HA       ASN  63  -3.411  11.906  -5.125
  507   1HB   ASN  63          HB3       ASN  63  -4.782  12.508  -7.148
  508   2HB   ASN  63          HB2       ASN  63  -5.984  11.344  -6.609
  509   1HD2  ASN  63          HD21      ASN  63  -7.659  12.559  -6.023
  510   2HD2  ASN  63          HD22      ASN  63  -7.589  13.925  -4.964
  511    H    ILE  64           HN       ILE  64  -3.733  11.365  -3.098
  512    HA   ILE  64           HA       ILE  64  -5.231   8.914  -2.585
  513    HB   ILE  64           HB       ILE  64  -2.916   8.930  -1.831
  514   1HG1  ILE  64          HG12      ILE  64  -3.371   8.211   0.522
  515   2HG1  ILE  64          HG13      ILE  64  -5.009   8.842   0.349
  516   1HG2  ILE  64          HG21      ILE  64  -2.473  11.182  -1.290
  517   2HG2  ILE  64          HG22      ILE  64  -3.812  11.251  -0.144
  518   3HG2  ILE  64          HG23      ILE  64  -2.377  10.295   0.231
  519   1HD1  ILE  64          HD11      ILE  64  -4.061   6.929  -1.693
  520   2HD1  ILE  64          HD12      ILE  64  -4.422   6.309  -0.082
  521   3HD1  ILE  64          HD13      ILE  64  -5.667   7.155  -1.001
  522    H    ARG  65           HN       ARG  65  -7.096   8.894  -1.690
  523    HA   ARG  65           HA       ARG  65  -8.066  11.258  -0.212
  524   1HB   ARG  65          HB3       ARG  65  -9.869   9.132  -1.333
  525   2HB   ARG  65          HB2       ARG  65 -10.232  10.815  -0.985
  526   1HG   ARG  65          HG2       ARG  65  -8.483   9.854  -3.237
  527   2HG   ARG  65          HG3       ARG  65 -10.175  10.330  -3.388
  528   1HD   ARG  65          HD2       ARG  65  -8.135  12.198  -2.233
  529   2HD   ARG  65          HD3       ARG  65  -8.347  12.050  -3.976
  530    HE   ARG  65           HE       ARG  65  -9.989  13.505  -2.194
  531   1HH1  ARG  65          HH12      ARG  65 -11.328  11.161  -4.775
  532   2HH1  ARG  65          HH11      ARG  65 -10.727  12.414  -5.819
  533   1HH2  ARG  65          HH22      ARG  65 -11.690  14.817  -3.824
  534   2HH2  ARG  65          HH21      ARG  65 -12.865  13.532  -3.759
  535    H    GLN  66           HN       GLN  66 -10.010  10.346   1.337
  536    HA   GLN  66           HA       GLN  66  -9.605   7.757   2.391
  537   1HB   GLN  66          HB2       GLN  66  -8.592   8.180   4.495
  538   2HB   GLN  66          HB3       GLN  66  -7.560   8.932   3.288
  539   1HG   GLN  66          HG2       GLN  66  -9.624  10.539   4.735
  540   2HG   GLN  66          HG3       GLN  66  -8.065  10.190   5.476
  541   1HE2  GLN  66          HE21      GLN  66  -6.421  11.424   5.000
  542   2HE2  GLN  66          HE22      GLN  66  -6.223  12.369   3.578
  543    H    HIS  67           HN       HIS  67 -11.001   7.299   4.197
  544    HA   HIS  67           HA       HIS  67 -13.103   9.317   4.640
  545   1HB   HIS  67          HB3       HIS  67 -13.592   6.359   4.182
  546   2HB   HIS  67          HB2       HIS  67 -14.807   7.520   4.676
  547    HD1  HIS  67           HD1      HIS  67 -16.152   6.715   2.570
  548    HD2  HIS  67           HD2      HIS  67 -12.608   8.725   1.725
  549    HE1  HIS  67           HE1      HIS  67 -16.257   7.286   0.119
  550    HE2  HIS  67           HE2      HIS  67 -14.140   8.571  -0.356
  551    H    THR  68           HN       THR  68 -14.062   9.215   6.717
  552    HA   THR  68           HA       THR  68 -12.915   7.277   8.586
  553    HB   THR  68           HB       THR  68 -13.129  10.074   9.571
  554    HG1  THR  68           HG1      THR  68 -12.033  10.103   7.444
  555   1HG2  THR  68          HG21      THR  68 -10.687   9.100  10.297
  556   2HG2  THR  68          HG22      THR  68 -11.670   7.637  10.238
  557   3HG2  THR  68          HG23      THR  68 -12.158   8.989  11.261
  558    H    THR  69           HN       THR  69 -14.304   9.631  10.393
  559    HA   THR  69           HA       THR  69 -16.231   9.822  11.532
  560    HB   THR  69           HB       THR  69 -17.542   8.884   8.972
  561    HG1  THR  69           HG1      THR  69 -16.189  11.174   9.624
  562   1HG2  THR  69          HG21      THR  69 -19.058   9.027  10.934
  563   2HG2  THR  69          HG22      THR  69 -19.451  10.157   9.640
  564   3HG2  THR  69          HG23      THR  69 -18.624  10.731  11.087
  565    H    ASP  70           HN       ASP  70 -15.190   8.019  12.607
  566    HA   ASP  70           HA       ASP  70 -15.336   6.119  13.864
  567   1HB   ASP  70          HB3       ASP  70 -18.158   6.522  13.024
  568   2HB   ASP  70          HB2       ASP  70 -17.735   4.952  13.701
  569    H    GLU  71           HN       GLU  71 -14.819   6.075  10.840
  570    HA   GLU  71           HA       GLU  71 -14.735   3.160  10.673
  571   1HB   GLU  71          HB3       GLU  71 -16.699   4.381   9.318
  572   2HB   GLU  71          HB2       GLU  71 -15.400   4.594   8.150
  573   1HG   GLU  71          HG3       GLU  71 -15.020   2.067   8.396
  574   2HG   GLU  71          HG2       GLU  71 -16.598   2.045   9.179
  575    H    ASP  72           HN       ASP  72 -13.781   3.355   7.889
  576    HA   ASP  72           HA       ASP  72 -11.448   5.004   7.833
  577   1HB   ASP  72          HB2       ASP  72  -9.759   3.374   8.103
  578   2HB   ASP  72          HB3       ASP  72 -10.878   3.043   9.422
  579    H    THR  73           HN       THR  73 -10.350   4.805   5.830
  580    HA   THR  73           HA       THR  73 -10.876   2.933   3.802
  581    HB   THR  73           HB       THR  73 -12.317   5.587   3.430
  582    HG1  THR  73           HG1      THR  73 -13.270   3.497   4.585
  583   1HG2  THR  73          HG21      THR  73 -13.219   4.046   1.427
  584   2HG2  THR  73          HG22      THR  73 -11.544   3.503   1.530
  585   3HG2  THR  73          HG23      THR  73 -11.906   5.210   1.276
  586    H    ILE  74           HN       ILE  74  -9.418   3.253   2.121
  587    HA   ILE  74           HA       ILE  74  -7.939   5.791   2.089
  588    HB   ILE  74           HB       ILE  74  -6.682   3.048   1.770
  589   1HG1  ILE  74          HG13      ILE  74  -7.227   3.576   4.128
  590   2HG1  ILE  74          HG12      ILE  74  -5.491   3.507   3.846
  591   1HG2  ILE  74          HG21      ILE  74  -5.614   4.675   0.350
  592   2HG2  ILE  74          HG22      ILE  74  -5.485   5.816   1.687
  593   3HG2  ILE  74          HG23      ILE  74  -4.556   4.312   1.711
  594   1HD1  ILE  74          HD11      ILE  74  -5.881   6.126   3.482
  595   2HD1  ILE  74          HD12      ILE  74  -7.201   5.786   4.601
  596   3HD1  ILE  74          HD13      ILE  74  -5.536   5.407   5.053
  597    H    VAL  75           HN       VAL  75  -8.740   6.611   0.251
  598    HA   VAL  75           HA       VAL  75  -9.255   4.825  -2.005
  599    HB   VAL  75           HB       VAL  75  -9.982   7.735  -1.693
  600   1HG1  VAL  75          HG21      VAL  75 -11.624   6.096  -3.445
  601   2HG1  VAL  75          HG22      VAL  75 -10.884   7.670  -3.729
  602   3HG1  VAL  75          HG23      VAL  75  -9.944   6.197  -3.975
  603   1HG2  VAL  75          HG11      VAL  75 -12.319   6.712  -1.358
  604   2HG2  VAL  75          HG12      VAL  75 -11.448   5.241  -0.927
  605   3HG2  VAL  75          HG13      VAL  75 -11.199   6.718   0.003
  606    H    LEU  76           HN       LEU  76  -7.742   4.597  -3.518
  607    HA   LEU  76           HA       LEU  76  -5.853   6.796  -3.954
  608   1HB   LEU  76          HB2       LEU  76  -5.730   3.895  -4.804
  609   2HB   LEU  76          HB3       LEU  76  -4.567   5.108  -5.302
  610    HG   LEU  76           HG       LEU  76  -4.104   5.476  -2.821
  611   1HD1  LEU  76          HD11      LEU  76  -5.111   2.714  -2.374
  612   2HD1  LEU  76          HD12      LEU  76  -4.852   4.028  -1.224
  613   3HD1  LEU  76          HD13      LEU  76  -6.254   4.057  -2.289
  614   1HD2  LEU  76          HD21      LEU  76  -3.052   3.691  -4.685
  615   2HD2  LEU  76          HD22      LEU  76  -2.279   4.286  -3.215
  616   3HD2  LEU  76          HD23      LEU  76  -3.192   2.773  -3.187
  617    H    GLN  77           HN       GLN  77  -6.432   8.168  -5.440
  618    HA   GLN  77           HA       GLN  77  -8.109   7.267  -7.670
  619   1HB   GLN  77          HB3       GLN  77  -8.828   9.177  -6.152
  620   2HB   GLN  77          HB2       GLN  77  -7.507  10.111  -6.839
  621   1HG   GLN  77          HG3       GLN  77  -8.489  10.069  -8.999
  622   2HG   GLN  77          HG2       GLN  77  -9.693   8.885  -8.496
  623   1HE2  GLN  77          HE21      GLN  77 -11.614   9.636  -7.998
  624   2HE2  GLN  77          HE22      GLN  77 -11.990  11.299  -7.692
  625    HA   PRO  78           HA       PRO  78  -4.486   7.681 -10.209
  626   1HB   PRO  78          HB3       PRO  78  -6.099   7.092 -12.511
  627   2HB   PRO  78          HB2       PRO  78  -4.995   6.019 -11.653
  628   1HG   PRO  78          HG3       PRO  78  -7.730   5.721 -11.717
  629   2HG   PRO  78          HG2       PRO  78  -6.675   5.057 -10.458
  630   1HD   PRO  78          HD3       PRO  78  -8.375   7.512 -10.409
  631   2HD   PRO  78          HD2       PRO  78  -8.040   6.343  -9.113
  632    H    GLN  79           HN       GLN  79  -3.965   9.846 -10.360
  633    HA   GLN  79           HA       GLN  79  -5.673  11.722 -11.687
  634   1HB   GLN  79          HB3       GLN  79  -3.784  13.301 -11.445
  635   2HB   GLN  79          HB2       GLN  79  -4.223  12.524  -9.931
  636   1HG   GLN  79          HG3       GLN  79  -2.332  11.008 -10.143
  637   2HG   GLN  79          HG2       GLN  79  -1.899  11.757 -11.680
  638   1HE2  GLN  79          HE21      GLN  79  -1.341  11.770  -8.408
  639   2HE2  GLN  79          HE22      GLN  79  -0.521  13.285  -8.288
  640    H    GLU  80           HN       GLU  80  -3.714   9.314 -12.745
  641    HA   GLU  80           HA       GLU  80  -3.693  10.370 -15.457
  642   1HB   GLU  80          HB3       GLU  80  -1.307   9.571 -13.892
  643   2HB   GLU  80          HB2       GLU  80  -1.391   8.957 -15.539
  644   1HG   GLU  80          HG3       GLU  80  -1.790  11.311 -16.293
  645   2HG   GLU  80          HG2       GLU  80  -1.438  11.822 -14.644
  646    HA   PRO  81           HA       PRO  81  -5.523   6.445 -16.270
  647   1HB   PRO  81          HB2       PRO  81  -4.492   6.718 -19.014
  648   2HB   PRO  81          HB3       PRO  81  -6.161   6.657 -18.439
  649   1HG   PRO  81          HG3       PRO  81  -5.098   8.932 -19.353
  650   2HG   PRO  81          HG2       PRO  81  -6.220   8.929 -17.978
  651   1HD   PRO  81          HD3       PRO  81  -3.221   9.096 -17.971
  652   2HD   PRO  81          HD2       PRO  81  -4.400  10.052 -17.045
  653    H    GLY  82           HN       GLY  82  -3.126   5.996 -15.046
  654   1HA   GLY  82          HA1       GLY  82  -2.076   3.727 -16.612
  655   2HA   GLY  82          HA2       GLY  82  -0.965   4.839 -15.820
  656    H    LEU  83           HN       LEU  83  -3.649   4.696 -13.966
  657    HA   LEU  83           HA       LEU  83  -2.739   2.401 -12.373
  658   1HB   LEU  83          HB3       LEU  83  -3.414   5.177 -11.396
  659   2HB   LEU  83          HB2       LEU  83  -3.250   3.792 -10.337
  660    HG   LEU  83           HG       LEU  83  -1.041   4.826 -12.109
  661   1HD1  LEU  83          HD21      LEU  83  -0.084   5.722  -9.991
  662   2HD1  LEU  83          HD22      LEU  83  -1.551   6.545 -10.515
  663   3HD1  LEU  83          HD23      LEU  83  -1.620   5.370  -9.198
  664   1HD2  LEU  83          HD11      LEU  83   0.343   3.477 -10.479
  665   2HD2  LEU  83          HD12      LEU  83  -1.171   2.758  -9.932
  666   3HD2  LEU  83          HD13      LEU  83  -0.652   2.554 -11.606
  667    HA   PRO  84           HA       PRO  84  -7.070   1.488 -12.211
  668   1HB   PRO  84          HB2       PRO  84  -6.766  -0.162  -9.909
  669   2HB   PRO  84          HB3       PRO  84  -6.822  -0.669 -11.596
  670   1HG   PRO  84          HG2       PRO  84  -4.603  -0.852  -9.943
  671   2HG   PRO  84          HG3       PRO  84  -4.568  -0.896 -11.713
  672   1HD   PRO  84          HD3       PRO  84  -3.952   1.356  -9.859
  673   2HD   PRO  84          HD2       PRO  84  -3.224   0.944 -11.427
  674    H    SER  85           HN       SER  85  -8.931   1.477 -10.680
  675    HA   SER  85           HA       SER  85  -8.529   3.525  -8.597
  676   1HB   SER  85          HB2       SER  85 -11.099   2.776 -10.017
  677   2HB   SER  85          HB3       SER  85 -10.878   4.104  -8.877
  678    HG   SER  85           HG       SER  85  -9.392   3.898 -11.287
  679    H    PHE  86           HN       PHE  86  -8.489   2.694  -6.593
  680    HA   PHE  86           HA       PHE  86 -10.512   0.726  -5.890
  681   1HB   PHE  86          HB2       PHE  86  -9.034  -0.895  -5.004
  682   2HB   PHE  86          HB3       PHE  86  -8.431  -0.511  -6.608
  683    HD1  PHE  86           HD1      PHE  86  -7.820  -0.047  -2.997
  684    HD2  PHE  86           HD2      PHE  86  -6.300   0.403  -6.945
  685    HE1  PHE  86           HE1      PHE  86  -5.577   0.383  -2.083
  686    HE2  PHE  86           HE2      PHE  86  -4.058   0.829  -6.034
  687    HZ   PHE  86           HZ       PHE  86  -3.698   0.807  -3.595
  688    H    ARG  87           HN       ARG  87 -10.697   0.381  -3.581
  689    HA   ARG  87           HA       ARG  87  -9.746   2.685  -2.001
  690   1HB   ARG  87          HB2       ARG  87 -12.387   1.237  -1.727
  691   2HB   ARG  87          HB3       ARG  87 -11.827   2.559  -0.734
  692   1HG   ARG  87          HG3       ARG  87 -13.266   3.651  -2.137
  693   2HG   ARG  87          HG2       ARG  87 -11.753   3.841  -3.027
  694   1HD   ARG  87          HD3       ARG  87 -13.584   3.142  -4.499
  695   2HD   ARG  87          HD2       ARG  87 -12.313   1.921  -4.419
  696    HE   ARG  87           HE       ARG  87 -14.308   1.364  -2.491
  697   1HH1  ARG  87          HH11      ARG  87 -13.803   1.274  -5.968
  698   2HH1  ARG  87          HH12      ARG  87 -15.238   0.313  -6.231
  699   1HH2  ARG  87          HH22      ARG  87 -16.568  -0.047  -3.789
  700   2HH2  ARG  87          HH21      ARG  87 -15.315  -1.248  -3.677
  701    H    ILE  88           HN       ILE  88  -7.990   1.428  -1.093
  702    HA   ILE  88           HA       ILE  88  -8.281  -1.175  -0.142
  703    HB   ILE  88           HB       ILE  88  -6.426  -0.270   1.624
  704   1HG1  ILE  88          HG12      ILE  88  -6.114   1.387  -0.882
  705   2HG1  ILE  88          HG13      ILE  88  -6.519   2.011   0.716
  706   1HG2  ILE  88          HG21      ILE  88  -4.900  -1.453   0.347
  707   2HG2  ILE  88          HG22      ILE  88  -6.448  -2.154  -0.128
  708   3HG2  ILE  88          HG23      ILE  88  -5.647  -0.983  -1.180
  709   1HD1  ILE  88          HD11      ILE  88  -4.131   2.274   0.053
  710   2HD1  ILE  88          HD12      ILE  88  -4.386   1.415   1.575
  711   3HD1  ILE  88          HD13      ILE  88  -3.985   0.518   0.107
  712    H    LYS  89           HN       LYS  89  -9.187  -2.072   1.448
  713    HA   LYS  89           HA       LYS  89  -9.843  -0.597   3.877
  714   1HB   LYS  89          HB2       LYS  89 -11.757  -2.029   2.035
  715   2HB   LYS  89          HB3       LYS  89 -12.117  -1.783   3.736
  716   1HG   LYS  89          HG3       LYS  89 -11.367   0.573   2.100
  717   2HG   LYS  89          HG2       LYS  89 -12.978  -0.130   1.889
  718   1HD   LYS  89          HD2       LYS  89 -11.721   0.949   4.425
  719   2HD   LYS  89          HD3       LYS  89 -13.129   1.584   3.571
  720   1HE   LYS  89          HE3       LYS  89 -14.421  -0.369   4.140
  721   2HE   LYS  89          HE2       LYS  89 -13.009  -1.145   4.852
  722   1HZ   LYS  89          HZ1       LYS  89 -12.976   0.744   6.490
  723   2HZ   LYS  89          HZ2       LYS  89 -14.307  -0.304   6.619
  724   3HZ   LYS  89          HZ3       LYS  89 -14.492   1.210   5.885
  725    HA   PRO  90           HA       PRO  90  -8.946  -4.703   5.392
  726   1HB   PRO  90          HB2       PRO  90  -9.381  -4.295   7.985
  727   2HB   PRO  90          HB3       PRO  90  -8.116  -3.386   7.150
  728   1HG   PRO  90          HG3       PRO  90 -10.804  -2.494   8.053
  729   2HG   PRO  90          HG2       PRO  90  -9.298  -1.572   7.921
  730   1HD   PRO  90          HD3       PRO  90 -11.440  -1.673   6.042
  731   2HD   PRO  90          HD2       PRO  90  -9.874  -0.856   5.854
  732    H    LYS  91           HN       LYS  91 -11.089  -5.233   4.049
  733    HA   LYS  91           HA       LYS  91 -13.547  -5.390   5.419
  734   1HB   LYS  91          HB2       LYS  91 -12.982  -5.605   2.870
  735   2HB   LYS  91          HB3       LYS  91 -12.874  -7.321   3.232
  736   1HG   LYS  91          HG3       LYS  91 -15.295  -5.867   4.137
  737   2HG   LYS  91          HG2       LYS  91 -15.119  -6.200   2.414
  738   1HD   LYS  91          HD2       LYS  91 -14.721  -8.611   3.029
  739   2HD   LYS  91          HD3       LYS  91 -15.177  -8.183   4.681
  740   1HE   LYS  91          HE2       LYS  91 -17.369  -7.587   4.029
  741   2HE   LYS  91          HE3       LYS  91 -16.948  -7.615   2.319
  742   1HZ   LYS  91          HZ1       LYS  91 -18.245  -9.558   3.150
  743   2HZ   LYS  91          HZ2       LYS  91 -16.880 -10.026   4.038
  744   3HZ   LYS  91          HZ3       LYS  91 -16.803  -9.956   2.345
  745    H    ASP  92           HN       ASP  92 -10.865  -7.635   5.204
  746    HA   ASP  92           HA       ASP  92 -12.123  -9.915   6.272
  747   1HB   ASP  92          HB3       ASP  92  -9.908  -9.866   5.111
  748   2HB   ASP  92          HB2       ASP  92  -9.224  -9.099   6.541
  749    H    PHE  93           HN       PHE  93 -10.564  -7.148   7.735
  750    HA   PHE  93           HA       PHE  93 -11.821  -7.705  10.284
  751   1HB   PHE  93          HB2       PHE  93  -9.388  -8.741  10.112
  752   2HB   PHE  93          HB3       PHE  93  -8.887  -7.074  10.376
  753    HD1  PHE  93           HD1      PHE  93 -11.469  -9.367  11.757
  754    HD2  PHE  93           HD2      PHE  93  -8.330  -6.614  12.572
  755    HE1  PHE  93           HE1      PHE  93 -11.813  -9.698  14.164
  756    HE2  PHE  93           HE2      PHE  93  -8.671  -6.939  14.989
  757    HZ   PHE  93           HZ       PHE  93 -10.415  -8.483  15.785
  758    H    GLU  94           HN       GLU  94 -13.007  -5.890   9.936
  759    HA   GLU  94           HA       GLU  94 -11.763  -3.421   9.089
  760   1HB   GLU  94          HB3       GLU  94 -14.005  -4.031   8.301
  761   2HB   GLU  94          HB2       GLU  94 -14.611  -3.924   9.948
  762   1HG   GLU  94          HG3       GLU  94 -14.197  -1.571  10.016
  763   2HG   GLU  94          HG2       GLU  94 -13.380  -1.622   8.453
  764    H    THR  95           HN       THR  95 -13.336  -4.546  12.051
  765    HA   THR  95           HA       THR  95 -12.964  -2.104  13.435
  766    HB   THR  95           HB       THR  95 -13.364  -4.885  14.558
  767    HG1  THR  95           HG1      THR  95 -15.039  -3.077  13.276
  768   1HG2  THR  95          HG21      THR  95 -12.800  -2.680  16.010
  769   2HG2  THR  95          HG22      THR  95 -13.824  -4.004  16.567
  770   3HG2  THR  95          HG23      THR  95 -14.555  -2.553  15.883
  771    H    SER  96           HN       SER  96 -10.871  -1.434  13.226
  772    HA   SER  96           HA       SER  96  -8.934  -2.411  15.039
  773   1HB   SER  96          HB2       SER  96  -8.360  -2.571  12.064
  774   2HB   SER  96          HB3       SER  96  -7.195  -2.859  13.353
  775    HG   SER  96           HG       SER  96  -9.354  -4.429  13.684
  776    H    GLU  97           HN       GLU  97 -10.183  -0.185  15.097
  777    HA   GLU  97           HA       GLU  97  -9.576   1.960  13.463
  778   1HB   GLU  97          HB3       GLU  97 -11.260   2.073  15.215
  779   2HB   GLU  97          HB2       GLU  97 -10.017   1.941  16.450
  780   1HG   GLU  97          HG3       GLU  97  -9.065   4.089  15.620
  781   2HG   GLU  97          HG2       GLU  97 -10.467   4.235  14.562
  782    H    TYR  98           HN       TYR  98  -7.830   0.828  16.305
  783    HA   TYR  98           HA       TYR  98  -5.896   2.808  16.494
  784   1HB   TYR  98          HB2       TYR  98  -5.547  -0.138  17.067
  785   2HB   TYR  98          HB3       TYR  98  -4.551   1.168  17.707
  786    HD1  TYR  98           HD1      TYR  98  -5.749   2.961  19.134
  787    HD2  TYR  98           HD2      TYR  98  -7.447  -0.830  18.213
  788    HE1  TYR  98           HE1      TYR  98  -7.318   3.210  21.017
  789    HE2  TYR  98           HE2      TYR  98  -9.005  -0.596  20.093
  790    HH   TYR  98           HH       TYR  98  -9.383   2.380  21.822
  791    H    VAL  99           HN       VAL  99  -5.618  -0.268  14.724
  792    HA   VAL  99           HA       VAL  99  -3.075   0.383  13.614
  793    HB   VAL  99           HB       VAL  99  -5.068  -1.738  12.800
  794   1HG1  VAL  99          HG21      VAL  99  -3.663  -1.528  10.947
  795   2HG1  VAL  99          HG22      VAL  99  -2.244  -1.202  11.941
  796   3HG1  VAL  99          HG23      VAL  99  -2.932  -2.827  11.887
  797   1HG2  VAL  99          HG11      VAL  99  -4.416  -2.179  15.019
  798   2HG2  VAL  99          HG12      VAL  99  -3.399  -3.216  14.015
  799   3HG2  VAL  99          HG13      VAL  99  -2.740  -1.732  14.696
  800    H    ARG 100           HN       ARG 100  -6.379   0.371  12.285
  801    HA   ARG 100           HA       ARG 100  -5.587   1.096   9.672
  802   1HB   ARG 100          HB2       ARG 100  -8.164   0.872  11.112
  803   2HB   ARG 100          HB3       ARG 100  -8.147   1.850   9.650
  804   1HG   ARG 100          HG3       ARG 100  -8.789  -0.460   9.191
  805   2HG   ARG 100          HG2       ARG 100  -7.285  -0.030   8.373
  806   1HD   ARG 100          HD2       ARG 100  -6.155  -1.039  10.481
  807   2HD   ARG 100          HD3       ARG 100  -7.718  -1.816  10.734
  808    HE   ARG 100           HE       ARG 100  -6.793  -2.214   8.079
  809   1HH1  ARG 100          HH11      ARG 100  -7.343  -4.257  10.914
  810   2HH1  ARG 100          HH12      ARG 100  -5.632  -4.506  11.101
  811   1HH2  ARG 100          HH22      ARG 100  -5.037  -4.236   7.817
  812   2HH2  ARG 100          HH21      ARG 100  -6.245  -5.374   8.350
  813    H    LYS 101           HN       LYS 101  -6.765   3.117  12.369
  814    HA   LYS 101           HA       LYS 101  -6.902   5.495  10.841
  815   1HB   LYS 101          HB2       LYS 101  -7.769   4.913  13.256
  816   2HB   LYS 101          HB3       LYS 101  -6.228   5.586  13.753
  817   1HG   LYS 101          HG3       LYS 101  -6.756   7.700  12.845
  818   2HG   LYS 101          HG2       LYS 101  -8.144   7.045  11.974
  819   1HD   LYS 101          HD3       LYS 101  -8.901   8.288  13.913
  820   2HD   LYS 101          HD2       LYS 101  -9.255   6.572  14.113
  821   1HE   LYS 101          HE2       LYS 101  -7.264   6.334  15.519
  822   2HE   LYS 101          HE3       LYS 101  -6.938   8.057  15.339
  823   1HZ   LYS 101          HZ1       LYS 101  -8.369   8.521  16.954
  824   2HZ   LYS 101          HZ2       LYS 101  -8.497   6.858  17.267
  825   3HZ   LYS 101          HZ3       LYS 101  -9.602   7.611  16.226
  826    H    ALA 102           HN       ALA 102  -4.311   3.808  12.386
  827    HA   ALA 102           HA       ALA 102  -2.397   5.901  12.396
  828   1HB   ALA 102          HB1       ALA 102  -1.744   4.174  13.756
  829   2HB   ALA 102          HB2       ALA 102  -2.278   2.932  12.621
  830   3HB   ALA 102          HB3       ALA 102  -0.788   3.823  12.315
  831    H    TRP 103           HN       TRP 103  -3.555   3.686   9.956
  832    HA   TRP 103           HA       TRP 103  -1.434   4.187   8.083
  833   1HB   TRP 103          HB3       TRP 103  -4.022   2.720   8.017
  834   2HB   TRP 103          HB2       TRP 103  -3.356   3.261   6.481
  835    HD1  TRP 103           HD1      TRP 103  -2.259   1.106   9.517
  836    HE1  TRP 103           HE1      TRP 103  -0.679  -0.730   8.639
  837    HE3  TRP 103           HE3      TRP 103  -1.957   2.565   4.632
  838    HZ2  TRP 103           HZ2      TRP 103   0.531  -1.453   6.172
  839    HZ3  TRP 103           HZ3      TRP 103  -0.575   1.260   3.084
  840    HH2  TRP 103           HH2      TRP 103   0.645  -0.705   3.832
  841    H    LEU 104           HN       LEU 104  -4.581   5.549   8.806
  842    HA   LEU 104           HA       LEU 104  -4.897   7.076   6.449
  843   1HB   LEU 104          HB2       LEU 104  -6.063   7.127   9.182
  844   2HB   LEU 104          HB3       LEU 104  -6.218   8.587   8.229
  845    HG   LEU 104           HG       LEU 104  -7.297   7.167   6.432
  846   1HD1  LEU 104          HD11      LEU 104  -6.819   5.129   8.522
  847   2HD1  LEU 104          HD12      LEU 104  -8.359   5.060   7.664
  848   3HD1  LEU 104          HD13      LEU 104  -6.844   4.970   6.766
  849   1HD2  LEU 104          HD21      LEU 104  -9.352   6.747   8.155
  850   2HD2  LEU 104          HD22      LEU 104  -8.391   7.927   9.045
  851   3HD2  LEU 104          HD23      LEU 104  -8.964   8.302   7.419
  852    H    ARG 105           HN       ARG 105  -3.288   7.688   9.513
  853    HA   ARG 105           HA       ARG 105  -2.658  10.423   8.955
  854   1HB   ARG 105          HB2       ARG 105  -1.105   8.616  10.804
  855   2HB   ARG 105          HB3       ARG 105  -1.283  10.361  10.897
  856   1HG   ARG 105          HG3       ARG 105  -3.568  10.151  11.592
  857   2HG   ARG 105          HG2       ARG 105  -3.524   8.404  11.338
  858   1HD   ARG 105          HD3       ARG 105  -2.251  10.038  13.488
  859   2HD   ARG 105          HD2       ARG 105  -3.192   8.551  13.613
  860    HE   ARG 105           HE       ARG 105  -0.828   8.009  12.203
  861   1HH1  ARG 105          HH11      ARG 105  -1.456   9.055  15.621
  862   2HH1  ARG 105          HH12      ARG 105  -1.030   7.428  16.082
  863   1HH2  ARG 105          HH21      ARG 105   0.562   6.313  13.717
  864   2HH2  ARG 105          HH22      ARG 105   1.453   7.692  14.296
  865    H    ASP 106           HN       ASP 106  -0.859   7.381   8.818
  866    HA   ASP 106           HA       ASP 106   1.561   8.467   7.891
  867   1HB   ASP 106          HB2       ASP 106   0.853   6.059   8.833
  868   2HB   ASP 106          HB3       ASP 106   0.891   5.688   7.110
  869    H    ILE 107           HN       ILE 107  -1.183   7.092   6.063
  870    HA   ILE 107           HA       ILE 107   0.100   7.282   3.531
  871    HB   ILE 107           HB       ILE 107  -2.029   5.941   4.202
  872   1HG1  ILE 107          HG12      ILE 107  -2.901   6.239   1.766
  873   2HG1  ILE 107          HG13      ILE 107  -1.528   7.326   1.586
  874   1HG2  ILE 107          HG21      ILE 107  -3.194   8.630   3.563
  875   2HG2  ILE 107          HG22      ILE 107  -4.116   7.140   3.362
  876   3HG2  ILE 107          HG23      ILE 107  -3.505   7.594   4.955
  877   1HD1  ILE 107          HD11      ILE 107  -1.023   4.628   2.703
  878   2HD1  ILE 107          HD12      ILE 107  -1.366   4.772   0.980
  879   3HD1  ILE 107          HD13      ILE 107  -0.003   5.644   1.686
  880    H    ALA 108           HN       ALA 108  -1.692   9.529   5.488
  881    HA   ALA 108           HA       ALA 108  -2.265  11.447   3.481
  882   1HB   ALA 108          HB1       ALA 108  -2.121  11.627   6.479
  883   2HB   ALA 108          HB2       ALA 108  -2.621  12.969   5.450
  884   3HB   ALA 108          HB3       ALA 108  -3.558  11.475   5.469
  885    H    GLU 109           HN       GLU 109   0.609  10.619   5.115
  886    HA   GLU 109           HA       GLU 109   2.104  12.625   3.725
  887   1HB   GLU 109          HB2       GLU 109   3.060  13.663   5.800
  888   2HB   GLU 109          HB3       GLU 109   1.364  14.042   5.522
  889   1HG   GLU 109          HG2       GLU 109   0.749  12.269   7.135
  890   2HG   GLU 109          HG3       GLU 109   2.461  12.022   7.464
  891    H    GLU 110           HN       GLU 110   2.634  10.270   3.149
  892    HA   GLU 110           HA       GLU 110   4.112   8.622   4.877
  893   1HB   GLU 110          HB3       GLU 110   4.439   8.798   1.877
  894   2HB   GLU 110          HB2       GLU 110   4.798   7.423   2.914
  895   1HG   GLU 110          HG2       GLU 110   2.529   6.979   3.298
  896   2HG   GLU 110          HG3       GLU 110   2.033   8.540   2.639
  897    H    GLN 111           HN       GLN 111   5.857   9.298   5.917
  898    HA   GLN 111           HA       GLN 111   7.812  10.339   6.420
  899   1HB   GLN 111          HB2       GLN 111   8.310   8.250   5.011
  900   2HB   GLN 111          HB3       GLN 111   8.690   9.371   3.712
  901   1HG   GLN 111          HG3       GLN 111  10.509  10.269   4.869
  902   2HG   GLN 111          HG2       GLN 111   9.988   9.557   6.397
  903   1HE2  GLN 111          HE21      GLN 111  11.652   9.064   3.441
  904   2HE2  GLN 111          HE22      GLN 111  12.090   7.415   3.674
  905    H    GLU 112           HN       GLU 112   5.998  12.157   5.396
  906    HA   GLU 112           HA       GLU 112   6.646  13.749   3.292
  907   1HB   GLU 112          HB2       GLU 112   4.736  13.694   5.116
  908   2HB   GLU 112          HB3       GLU 112   5.713  14.963   5.843
  909   1HG   GLU 112          HG3       GLU 112   5.310  15.325   3.017
  910   2HG   GLU 112          HG2       GLU 112   3.807  15.263   3.924
  911    H    LYS 113           HN       LYS 113   7.534  14.417   6.680
  912    HA   LYS 113           HA       LYS 113   9.325  16.515   5.975
  913   1HB   LYS 113          HB3       LYS 113   8.828  15.033   8.552
  914   2HB   LYS 113          HB2       LYS 113  10.031  16.309   8.416
  915   1HG   LYS 113          HG3       LYS 113   8.107  17.330   9.300
  916   2HG   LYS 113          HG2       LYS 113   8.171  17.810   7.604
  917   1HD   LYS 113          HD2       LYS 113   6.571  15.938   7.112
  918   2HD   LYS 113          HD3       LYS 113   6.388  15.731   8.856
  919   1HE   LYS 113          HE2       LYS 113   4.593  17.107   7.993
  920   2HE   LYS 113          HE3       LYS 113   5.642  18.065   9.038
  921   1HZ   LYS 113          HZ1       LYS 113   4.905  19.076   6.827
  922   2HZ   LYS 113          HZ2       LYS 113   6.023  18.030   6.101
  923   3HZ   LYS 113          HZ3       LYS 113   6.551  19.187   7.224
  924    H    TYR 114           HN       TYR 114   9.597  13.223   5.789
  925    HA   TYR 114           HA       TYR 114  11.276  11.767   5.381
  926   1HB   TYR 114          HB2       TYR 114  11.829  13.687   3.760
  927   2HB   TYR 114          HB3       TYR 114  13.085  14.128   4.911
  928    HD1  TYR 114           HD1      TYR 114  11.873  11.020   3.204
  929    HD2  TYR 114           HD2      TYR 114  15.187  13.378   4.440
  930    HE1  TYR 114           HE1      TYR 114  13.408   9.397   2.169
  931    HE2  TYR 114           HE2      TYR 114  16.730  11.769   3.409
  932    HH   TYR 114           HH       TYR 114  16.674   9.291   2.819
  933    H    ALA 115           HN       ALA 115  10.843  12.715   8.058
  934    HA   ALA 115           HA       ALA 115  13.556  12.552   9.184
  935   1HB   ALA 115          HB1       ALA 115  12.931  14.048  10.709
  936   2HB   ALA 115          HB2       ALA 115  11.440  14.264   9.793
  937   3HB   ALA 115          HB3       ALA 115  11.501  13.107  11.126
  938    H    ALA 116           HN       ALA 116  13.379  10.253   8.553
  939    HA   ALA 116           HA       ALA 116  11.570   8.439   9.605
  940   1HB   ALA 116          HB1       ALA 116  14.501   7.950   9.087
  941   2HB   ALA 116          HB2       ALA 116  13.222   6.737   9.147
  942   3HB   ALA 116          HB3       ALA 116  13.240   7.935   7.853
  943    H    GLU 117           HN       GLU 117  11.112   7.879  11.612
  944    HA   GLU 117           HA       GLU 117  12.736   8.756  13.805
  945   1HB   GLU 117          HB3       GLU 117  10.213   8.637  13.794
  946   2HB   GLU 117          HB2       GLU 117  10.365   6.889  13.904
  947   1HG   GLU 117          HG2       GLU 117  11.452   7.062  16.034
  948   2HG   GLU 117          HG3       GLU 117  11.501   8.820  15.909
  949    H    ARG 118           HN       ARG 118  14.620   7.561  12.981
  950    HA   ARG 118           HA       ARG 118  14.645   4.784  13.959
  951   1HB   ARG 118          HB3       ARG 118  14.987   5.163  11.474
  952   2HB   ARG 118          HB2       ARG 118  16.482   5.986  11.882
  953   1HG   ARG 118          HG3       ARG 118  16.086   3.233  12.918
  954   2HG   ARG 118          HG2       ARG 118  16.428   3.441  11.200
  955   1HD   ARG 118          HD3       ARG 118  18.109   4.413  13.505
  956   2HD   ARG 118          HD2       ARG 118  18.492   3.092  12.401
  957    HE   ARG 118           HE       ARG 118  18.076   5.425  10.893
  958   1HH1  ARG 118          HH12      ARG 118  20.416   4.838  13.537
  959   2HH1  ARG 118          HH11      ARG 118  21.456   4.194  12.302
  960   1HH2  ARG 118          HH21      ARG 118  20.346   7.220  11.046
  961   2HH2  ARG 118          HH22      ARG 118  20.639   5.982   9.863
  962    H    ASP 119           HN       ASP 119  16.913   7.471  13.313
  963    HA   ASP 119           HA       ASP 119  17.879   7.244  16.069
  964   1HB   ASP 119          HB3       ASP 119  19.495   6.829  13.623
  965   2HB   ASP 119          HB2       ASP 119  20.195   7.910  14.823
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1   5.690  -7.701  13.831
    2   2H    MET   1          HT2       MET   1   7.020  -8.705  14.298
    3   3H    MET   1          HT3       MET   1   5.481  -8.886  15.070
    4    HA   MET   1           HA       MET   1   5.134 -10.492  13.641
    5   1HB   MET   1          HB2       MET   1   3.740  -8.615  12.811
    6   2HB   MET   1          HB3       MET   1   5.038  -8.162  11.718
    7   1HG   MET   1          HG2       MET   1   4.788 -10.238  10.506
    8   2HG   MET   1          HG3       MET   1   3.535 -10.762  11.627
    9   1HE   MET   1          HE1       MET   1   1.140 -10.729   9.562
   10   2HE   MET   1          HE2       MET   1   2.090 -10.227   8.172
   11   3HE   MET   1          HE3       MET   1   2.784 -11.322   9.356
   12    H    GLY   2           HN       GLY   2   6.570 -12.000  12.995
   13   1HA   GLY   2          HA2       GLY   2   8.214 -12.987  11.708
   14   2HA   GLY   2          HA1       GLY   2   8.242 -11.534  10.731
   15    H    ASP   3           HN       ASP   3  10.491 -11.665  10.618
   16    HA   ASP   3           HA       ASP   3  11.895 -10.897  13.089
   17   1HB   ASP   3          HB3       ASP   3  12.513 -13.125  12.021
   18   2HB   ASP   3          HB2       ASP   3  13.135 -12.192  10.656
   19    H    THR   4           HN       THR   4  12.905  -8.991  13.092
   20    HA   THR   4           HA       THR   4  12.404  -7.096  11.079
   21    HB   THR   4           HB       THR   4  14.328  -5.906  12.519
   22    HG1  THR   4           HG1      THR   4  14.773  -7.865  13.671
   23   1HG2  THR   4          HG21      THR   4  12.644  -5.132  14.063
   24   2HG2  THR   4          HG22      THR   4  11.567  -6.449  13.573
   25   3HG2  THR   4          HG23      THR   4  12.001  -5.173  12.427
   26    H    GLY   5           HN       GLY   5  14.720  -9.510  11.078
   27   1HA   GLY   5          HA2       GLY   5  16.959  -8.175  10.005
   28   2HA   GLY   5          HA1       GLY   5  16.579  -9.884   9.802
   29    H    LYS   6           HN       LYS   6  14.150  -9.694   8.451
   30    HA   LYS   6           HA       LYS   6  14.987  -8.424   5.926
   31   1HB   LYS   6          HB2       LYS   6  13.427 -10.997   6.288
   32   2HB   LYS   6          HB3       LYS   6  13.817 -10.268   4.740
   33   1HG   LYS   6          HG3       LYS   6  16.244 -10.584   5.285
   34   2HG   LYS   6          HG2       LYS   6  15.747 -11.444   6.737
   35   1HD   LYS   6          HD3       LYS   6  14.857 -12.297   3.999
   36   2HD   LYS   6          HD2       LYS   6  16.376 -12.845   4.709
   37   1HE   LYS   6          HE3       LYS   6  14.838 -14.553   5.175
   38   2HE   LYS   6          HE2       LYS   6  15.008 -13.664   6.689
   39   1HZ   LYS   6          HZ1       LYS   6  12.675 -14.344   5.778
   40   2HZ   LYS   6          HZ2       LYS   6  12.829 -12.931   4.849
   41   3HZ   LYS   6          HZ3       LYS   6  12.894 -12.844   6.549
   42    H    LEU   7           HN       LEU   7  12.712  -8.408   8.377
   43    HA   LEU   7           HA       LEU   7  10.748  -7.154   6.591
   44   1HB   LEU   7          HB3       LEU   7  10.282  -8.563   9.219
   45   2HB   LEU   7          HB2       LEU   7   9.050  -7.711   8.309
   46    HG   LEU   7           HG       LEU   7  10.536 -10.165   7.371
   47   1HD1  LEU   7          HD21      LEU   7   8.039 -10.971   7.508
   48   2HD1  LEU   7          HD22      LEU   7   9.108 -11.042   8.903
   49   3HD1  LEU   7          HD23      LEU   7   7.953  -9.718   8.749
   50   1HD2  LEU   7          HD11      LEU   7   9.965  -8.850   5.468
   51   2HD2  LEU   7          HD12      LEU   7   8.776 -10.147   5.588
   52   3HD2  LEU   7          HD13      LEU   7   8.352  -8.522   6.111
   53    H    GLY   8           HN       GLY   8  12.420  -5.335   7.012
   54   1HA   GLY   8          HA1       GLY   8  12.220  -4.040   9.603
   55   2HA   GLY   8          HA2       GLY   8  13.096  -3.434   8.200
   56    H    ARG   9           HN       ARG   9  11.017  -3.518   6.331
   57    HA   ARG   9           HA       ARG   9   9.319  -2.262   5.493
   58   1HB   ARG   9          HB3       ARG   9   8.294  -2.126   8.333
   59   2HB   ARG   9          HB2       ARG   9   7.364  -1.902   6.861
   60   1HG   ARG   9          HG2       ARG   9   7.493  -4.176   6.302
   61   2HG   ARG   9          HG3       ARG   9   8.740  -4.484   7.525
   62   1HD   ARG   9          HD2       ARG   9   5.873  -3.717   7.989
   63   2HD   ARG   9          HD3       ARG   9   6.630  -5.281   8.351
   64    HE   ARG   9           HE       ARG   9   7.965  -3.175   9.697
   65   1HH1  ARG   9          HH11      ARG   9   6.083  -5.917  10.644
   66   2HH1  ARG   9          HH12      ARG   9   4.650  -4.917  10.626
   67   1HH2  ARG   9          HH21      ARG   9   7.445  -2.567  11.805
   68   2HH2  ARG   9          HH22      ARG   9   6.188  -3.411  12.658
   69    H    ILE  10           HN       ILE  10  10.783  -0.598   5.014
   70    HA   ILE  10           HA       ILE  10  11.589   1.442   6.675
   71    HB   ILE  10           HB       ILE  10  12.580   1.163   4.523
   72   1HG1  ILE  10          HG13      ILE  10  12.419   3.538   3.647
   73   2HG1  ILE  10          HG12      ILE  10  11.171   3.813   4.852
   74   1HG2  ILE  10          HG21      ILE  10  11.439   0.793   2.662
   75   2HG2  ILE  10          HG22      ILE  10   9.953   0.951   3.567
   76   3HG2  ILE  10          HG23      ILE  10  10.647   2.362   2.786
   77   1HD1  ILE  10          HD11      ILE  10  12.632   3.860   6.572
   78   2HD1  ILE  10          HD12      ILE  10  13.730   2.699   5.821
   79   3HD1  ILE  10          HD13      ILE  10  13.717   4.385   5.284
   80    H    ILE  11           HN       ILE  11   8.569   1.290   4.763
   81    HA   ILE  11           HA       ILE  11   7.688   3.670   6.244
   82    HB   ILE  11           HB       ILE  11   6.451   2.551   3.718
   83   1HG1  ILE  11          HG13      ILE  11   8.061   5.071   4.157
   84   2HG1  ILE  11          HG12      ILE  11   8.655   3.624   3.369
   85   1HG2  ILE  11          HG21      ILE  11   5.738   4.869   5.505
   86   2HG2  ILE  11          HG22      ILE  11   5.259   4.830   3.804
   87   3HG2  ILE  11          HG23      ILE  11   4.696   3.565   4.898
   88   1HD1  ILE  11          HD11      ILE  11   8.005   5.389   1.808
   89   2HD1  ILE  11          HD12      ILE  11   7.089   3.911   1.577
   90   3HD1  ILE  11          HD13      ILE  11   6.359   5.276   2.393
   91    H    ARG  12           HN       ARG  12   5.656   1.223   4.677
   92    HA   ARG  12           HA       ARG  12   4.914   0.180   7.285
   93   1HB   ARG  12          HB2       ARG  12   3.265   2.011   5.674
   94   2HB   ARG  12          HB3       ARG  12   2.427   0.582   6.283
   95   1HG   ARG  12          HG2       ARG  12   4.072   2.363   8.031
   96   2HG   ARG  12          HG3       ARG  12   2.359   2.639   7.731
   97   1HD   ARG  12          HD3       ARG  12   1.785   0.529   8.690
   98   2HD   ARG  12          HD2       ARG  12   3.473   0.040   8.756
   99    HE   ARG  12           HE       ARG  12   3.624   1.058  10.774
  100   1HH1  ARG  12          HH12      ARG  12   0.305   2.138   9.846
  101   2HH1  ARG  12          HH11      ARG  12   0.953   3.736   9.752
  102   1HH2  ARG  12          HH21      ARG  12   2.471   2.242  12.672
  103   2HH2  ARG  12          HH22      ARG  12   2.376   3.857  12.036
  104    H    HIS  13           HN       HIS  13   3.104  -1.419   7.019
  105    HA   HIS  13           HA       HIS  13   2.797  -2.784   4.534
  106   1HB   HIS  13          HB2       HIS  13   4.756  -3.944   4.618
  107   2HB   HIS  13          HB3       HIS  13   5.017  -3.556   6.306
  108    HD1  HIS  13           HD1      HIS  13   3.468  -5.126   8.011
  109    HD2  HIS  13           HD2      HIS  13   4.271  -6.572   4.200
  110    HE1  HIS  13           HE1      HIS  13   3.106  -7.607   8.151
  111    HE2  HIS  13           HE2      HIS  13   3.413  -8.440   5.786
  112    H    ASP  14           HN       ASP  14   0.892  -3.848   4.605
  113    HA   ASP  14           HA       ASP  14  -0.055  -5.141   6.994
  114   1HB   ASP  14          HB3       ASP  14  -0.600  -2.628   7.284
  115   2HB   ASP  14          HB2       ASP  14  -1.802  -2.875   6.016
  116    H    ALA  15           HN       ALA  15  -2.541  -5.763   6.545
  117    HA   ALA  15           HA       ALA  15  -2.713  -6.601   3.720
  118   1HB   ALA  15          HB1       ALA  15  -3.291  -8.175   6.212
  119   2HB   ALA  15          HB2       ALA  15  -3.895  -8.650   4.623
  120   3HB   ALA  15          HB3       ALA  15  -2.156  -8.559   4.902
  121    H    PHE  16           HN       PHE  16  -4.339  -5.568   2.792
  122    HA   PHE  16           HA       PHE  16  -6.789  -5.129   4.379
  123   1HB   PHE  16          HB2       PHE  16  -5.796  -3.518   2.016
  124   2HB   PHE  16          HB3       PHE  16  -7.269  -3.228   2.917
  125    HD1  PHE  16           HD1      PHE  16  -6.869  -2.983   5.547
  126    HD2  PHE  16           HD2      PHE  16  -4.003  -2.195   2.499
  127    HE1  PHE  16           HE1      PHE  16  -5.657  -1.491   7.078
  128    HE2  PHE  16           HE2      PHE  16  -2.783  -0.703   4.028
  129    HZ   PHE  16           HZ       PHE  16  -3.611  -0.346   6.322
  130    H    GLN  17           HN       GLN  17  -8.650  -5.936   3.635
  131    HA   GLN  17           HA       GLN  17  -8.624  -7.290   1.025
  132   1HB   GLN  17          HB3       GLN  17  -9.183  -8.680   3.032
  133   2HB   GLN  17          HB2       GLN  17 -10.581  -7.665   3.312
  134   1HG   GLN  17          HG3       GLN  17 -11.470  -8.317   1.123
  135   2HG   GLN  17          HG2       GLN  17 -10.080  -9.358   0.878
  136   1HE2  GLN  17          HE21      GLN  17 -10.345 -11.403   1.426
  137   2HE2  GLN  17          HE22      GLN  17 -11.370 -11.995   2.673
  138    H    VAL  18           HN       VAL  18  -9.313  -5.940  -0.473
  139    HA   VAL  18           HA       VAL  18 -11.789  -4.438   0.032
  140    HB   VAL  18           HB       VAL  18  -9.866  -2.964  -1.578
  141   1HG1  VAL  18          HG21      VAL  18 -10.905  -1.161  -0.630
  142   2HG1  VAL  18          HG22      VAL  18 -12.167  -2.379  -0.440
  143   3HG1  VAL  18          HG23      VAL  18 -11.119  -1.966   0.927
  144   1HG2  VAL  18          HG11      VAL  18  -8.989  -4.023   0.990
  145   2HG2  VAL  18          HG12      VAL  18  -8.067  -3.215  -0.276
  146   3HG2  VAL  18          HG13      VAL  18  -8.946  -2.260   0.916
  147    H    TRP  19           HN       TRP  19 -12.539  -3.356  -1.982
  148    HA   TRP  19           HA       TRP  19 -12.770  -5.325  -4.059
  149   1HB   TRP  19          HB2       TRP  19 -13.894  -2.527  -3.935
  150   2HB   TRP  19          HB3       TRP  19 -14.496  -3.877  -4.893
  151    HD1  TRP  19           HD1      TRP  19 -15.858  -5.788  -3.605
  152    HE1  TRP  19           HE1      TRP  19 -17.104  -5.781  -1.362
  153    HE3  TRP  19           HE3      TRP  19 -13.813  -1.563  -1.536
  154    HZ2  TRP  19           HZ2      TRP  19 -17.221  -4.214   0.948
  155    HZ3  TRP  19           HZ3      TRP  19 -14.565  -0.893   0.706
  156    HH2  TRP  19           HH2      TRP  19 -16.231  -2.195   1.917
  157    H    GLU  20           HN       GLU  20 -11.070  -5.430  -5.544
  158    HA   GLU  20           HA       GLU  20  -9.506  -3.136  -6.235
  159   1HB   GLU  20          HB3       GLU  20  -9.395  -5.974  -6.600
  160   2HB   GLU  20          HB2       GLU  20  -9.244  -5.217  -8.175
  161   1HG   GLU  20          HG3       GLU  20  -7.500  -4.860  -5.772
  162   2HG   GLU  20          HG2       GLU  20  -7.064  -5.497  -7.363
  163    H    GLY  21           HN       GLY  21  -9.073  -3.160  -8.826
  164   1HA   GLY  21          HA2       GLY  21 -10.938  -1.564 -10.014
  165   2HA   GLY  21          HA1       GLY  21  -9.850  -2.601 -10.918
  166    H    ASP  22           HN       ASP  22 -13.028  -2.097  -9.802
  167    HA   ASP  22           HA       ASP  22 -15.046  -2.824 -10.492
  168   1HB   ASP  22          HB2       ASP  22 -14.085  -2.770 -12.768
  169   2HB   ASP  22          HB3       ASP  22 -13.560  -4.436 -12.565
  170    H    GLU  23           HN       GLU  23 -12.613  -5.404 -10.310
  171    HA   GLU  23           HA       GLU  23 -14.322  -7.560  -9.866
  172   1HB   GLU  23          HB3       GLU  23 -11.455  -7.127  -8.998
  173   2HB   GLU  23          HB2       GLU  23 -12.280  -8.671  -8.927
  174   1HG   GLU  23          HG2       GLU  23 -12.654  -8.481 -11.394
  175   2HG   GLU  23          HG3       GLU  23 -11.569  -7.090 -11.367
  176    HA   PRO  24           HA       PRO  24 -15.742  -7.700  -5.725
  177   1HB   PRO  24          HB3       PRO  24 -15.043 -10.231  -4.959
  178   2HB   PRO  24          HB2       PRO  24 -16.378  -9.867  -6.049
  179   1HG   PRO  24          HG2       PRO  24 -13.595 -10.725  -6.716
  180   2HG   PRO  24          HG3       PRO  24 -15.119 -11.305  -7.383
  181   1HD   PRO  24          HD3       PRO  24 -13.627  -9.545  -8.702
  182   2HD   PRO  24          HD2       PRO  24 -15.393  -9.436  -8.707
  183    HA   PRO  25           HA       PRO  25 -12.807  -6.913  -2.549
  184   1HB   PRO  25          HB2       PRO  25 -13.543  -8.473  -0.446
  185   2HB   PRO  25          HB3       PRO  25 -14.404  -7.010  -0.929
  186   1HG   PRO  25          HG3       PRO  25 -15.007  -9.875  -1.617
  187   2HG   PRO  25          HG2       PRO  25 -16.120  -8.607  -1.028
  188   1HD   PRO  25          HD2       PRO  25 -16.008  -9.212  -3.618
  189   2HD   PRO  25          HD3       PRO  25 -16.133  -7.512  -3.087
  190    H    LYS  26           HN       LYS  26 -10.861  -7.511  -3.095
  191    HA   LYS  26           HA       LYS  26  -9.949 -10.274  -2.639
  192   1HB   LYS  26          HB3       LYS  26  -8.758  -8.016  -4.267
  193   2HB   LYS  26          HB2       LYS  26  -7.930  -9.531  -3.947
  194   1HG   LYS  26          HG2       LYS  26  -9.655 -10.750  -5.143
  195   2HG   LYS  26          HG3       LYS  26 -10.525  -9.224  -5.429
  196   1HD   LYS  26          HD2       LYS  26  -8.729  -8.352  -6.728
  197   2HD   LYS  26          HD3       LYS  26  -7.675  -9.701  -6.312
  198   1HE   LYS  26          HE2       LYS  26  -9.189 -11.201  -7.561
  199   2HE   LYS  26          HE3       LYS  26 -10.166  -9.801  -8.003
  200   1HZ   LYS  26          HZ1       LYS  26  -7.633  -9.066  -8.703
  201   2HZ   LYS  26          HZ2       LYS  26  -8.831  -9.645  -9.766
  202   3HZ   LYS  26          HZ3       LYS  26  -7.683 -10.719  -9.126
  203    H    LEU  27           HN       LEU  27  -7.902 -10.566  -1.487
  204    HA   LEU  27           HA       LEU  27  -7.485  -8.507   0.524
  205   1HB   LEU  27          HB3       LEU  27  -7.827 -10.896   1.176
  206   2HB   LEU  27          HB2       LEU  27  -6.397 -11.330   0.266
  207    HG   LEU  27           HG       LEU  27  -4.982 -10.149   1.810
  208   1HD1  LEU  27          HD21      LEU  27  -6.619  -8.288   2.236
  209   2HD1  LEU  27          HD22      LEU  27  -7.432  -9.368   3.370
  210   3HD1  LEU  27          HD23      LEU  27  -5.752  -8.887   3.650
  211   1HD2  LEU  27          HD11      LEU  27  -5.174 -11.614   3.604
  212   2HD2  LEU  27          HD12      LEU  27  -6.941 -11.556   3.583
  213   3HD2  LEU  27          HD13      LEU  27  -6.066 -12.453   2.342
  214    H    ARG  28           HN       ARG  28  -5.568  -7.328   0.606
  215    HA   ARG  28           HA       ARG  28  -3.472  -8.115  -1.286
  216   1HB   ARG  28          HB3       ARG  28  -4.139  -5.213  -0.963
  217   2HB   ARG  28          HB2       ARG  28  -3.263  -6.016  -2.261
  218   1HG   ARG  28          HG3       ARG  28  -5.191  -5.650  -3.362
  219   2HG   ARG  28          HG2       ARG  28  -5.649  -7.168  -2.572
  220   1HD   ARG  28          HD2       ARG  28  -7.350  -6.078  -1.634
  221   2HD   ARG  28          HD3       ARG  28  -6.174  -5.178  -0.693
  222    HE   ARG  28           HE       ARG  28  -6.604  -3.344  -1.968
  223   1HH1  ARG  28          HH11      ARG  28  -9.152  -5.512  -3.357
  224   2HH1  ARG  28          HH12      ARG  28  -7.951  -5.830  -4.579
  225   1HH2  ARG  28          HH22      ARG  28  -8.537  -2.367  -3.492
  226   2HH2  ARG  28          HH21      ARG  28  -7.570  -2.753  -4.904
  227    H    TYR  29           HN       TYR  29  -1.491  -7.949  -0.561
  228    HA   TYR  29           HA       TYR  29  -1.062  -6.896   2.145
  229   1HB   TYR  29          HB2       TYR  29   0.755  -8.541   0.364
  230   2HB   TYR  29          HB3       TYR  29   1.106  -8.069   2.013
  231    HD1  TYR  29           HD1      TYR  29   1.337 -10.808   1.336
  232    HD2  TYR  29           HD2      TYR  29  -2.167  -8.666   2.434
  233    HE1  TYR  29           HE1      TYR  29   0.322 -12.893   2.145
  234    HE2  TYR  29           HE2      TYR  29  -3.185 -10.746   3.260
  235    HH   TYR  29           HH       TYR  29  -1.481 -13.852   2.989
  236    H    VAL  30           HN       VAL  30  -1.140  -4.708   1.618
  237    HA   VAL  30           HA       VAL  30   0.406  -3.517  -0.425
  238    HB   VAL  30           HB       VAL  30  -0.726  -2.138   2.026
  239   1HG1  VAL  30          HG21      VAL  30  -0.797  -0.794  -0.572
  240   2HG1  VAL  30          HG22      VAL  30  -0.295  -0.185   0.998
  241   3HG1  VAL  30          HG23      VAL  30   0.834  -1.127   0.015
  242   1HG2  VAL  30          HG11      VAL  30  -2.354  -1.967  -0.375
  243   2HG2  VAL  30          HG12      VAL  30  -2.191  -3.630   0.184
  244   3HG2  VAL  30          HG13      VAL  30  -2.823  -2.400   1.273
  245    H    PHE  31           HN       PHE  31   2.522  -3.089  -0.458
  246    HA   PHE  31           HA       PHE  31   3.965  -2.863   2.119
  247   1HB   PHE  31          HB2       PHE  31   5.148  -3.760  -0.512
  248   2HB   PHE  31          HB3       PHE  31   5.900  -3.838   1.073
  249    HD1  PHE  31           HD1      PHE  31   4.438  -5.278   2.821
  250    HD2  PHE  31           HD2      PHE  31   4.417  -5.679  -1.412
  251    HE1  PHE  31           HE1      PHE  31   3.671  -7.604   3.048
  252    HE2  PHE  31           HE2      PHE  31   3.673  -8.009  -1.189
  253    HZ   PHE  31           HZ       PHE  31   3.297  -8.972   1.040
  254    H    LEU  32           HN       LEU  32   4.323  -0.619   2.356
  255    HA   LEU  32           HA       LEU  32   5.105   0.814  -0.070
  256   1HB   LEU  32          HB2       LEU  32   5.156   2.400   2.347
  257   2HB   LEU  32          HB3       LEU  32   4.348   2.678   0.820
  258    HG   LEU  32           HG       LEU  32   3.223   0.849   2.938
  259   1HD1  LEU  32          HD11      LEU  32   2.923   2.698   4.146
  260   2HD1  LEU  32          HD12      LEU  32   3.363   3.752   2.820
  261   3HD1  LEU  32          HD13      LEU  32   1.720   3.146   2.951
  262   1HD2  LEU  32          HD21      LEU  32   1.176   1.942   1.459
  263   2HD2  LEU  32          HD22      LEU  32   2.431   1.676   0.257
  264   3HD2  LEU  32          HD23      LEU  32   1.868   0.334   1.239
  265    H    PHE  33           HN       PHE  33   7.139   1.082  -0.567
  266    HA   PHE  33           HA       PHE  33   9.123   1.198   1.588
  267   1HB   PHE  33          HB3       PHE  33   9.131  -0.620  -0.803
  268   2HB   PHE  33          HB2       PHE  33  10.650  -0.090  -0.101
  269    HD1  PHE  33           HD1      PHE  33   7.381  -1.531   1.073
  270    HD2  PHE  33           HD2      PHE  33  11.617  -1.486   1.442
  271    HE1  PHE  33           HE1      PHE  33   7.246  -3.296   2.779
  272    HE2  PHE  33           HE2      PHE  33  11.482  -3.270   3.131
  273    HZ   PHE  33           HZ       PHE  33   9.297  -4.173   3.805
  274    H    ARG  34           HN       ARG  34   9.756   3.187   1.498
  275    HA   ARG  34           HA       ARG  34  10.693   5.110   0.889
  276   1HB   ARG  34          HB2       ARG  34  11.703   3.458  -1.419
  277   2HB   ARG  34          HB3       ARG  34  12.201   5.114  -1.119
  278   1HG   ARG  34          HG3       ARG  34  12.886   4.320   1.206
  279   2HG   ARG  34          HG2       ARG  34  12.689   2.684   0.569
  280   1HD   ARG  34          HD3       ARG  34  14.486   4.769  -0.640
  281   2HD   ARG  34          HD2       ARG  34  15.020   3.552   0.498
  282    HE   ARG  34           HE       ARG  34  14.913   1.954  -1.155
  283   1HH1  ARG  34          HH11      ARG  34  14.340   5.107  -2.566
  284   2HH1  ARG  34          HH12      ARG  34  13.340   4.488  -3.845
  285   1HH2  ARG  34          HH21      ARG  34  15.319   2.073  -3.984
  286   2HH2  ARG  34          HH22      ARG  34  13.638   1.649  -3.980
  287    H    ASN  35           HN       ASN  35  10.584   4.680  -2.515
  288    HA   ASN  35           HA       ASN  35   8.486   6.725  -2.621
  289   1HB   ASN  35          HB3       ASN  35  10.650   5.994  -4.590
  290   2HB   ASN  35          HB2       ASN  35   9.427   7.214  -4.887
  291   1HD2  ASN  35          HD21      ASN  35  10.053   9.175  -4.544
  292   2HD2  ASN  35          HD22      ASN  35  11.434   9.640  -3.591
  293    H    LYS  36           HN       LYS  36   8.278   3.589  -2.688
  294    HA   LYS  36           HA       LYS  36   6.205   3.633  -4.715
  295   1HB   LYS  36          HB3       LYS  36   7.010   1.593  -5.850
  296   2HB   LYS  36          HB2       LYS  36   8.111   2.949  -6.031
  297   1HG   LYS  36          HG2       LYS  36   9.658   1.425  -5.532
  298   2HG   LYS  36          HG3       LYS  36   9.182   1.800  -3.869
  299   1HD   LYS  36          HD2       LYS  36   7.537  -0.094  -4.015
  300   2HD   LYS  36          HD3       LYS  36   8.287  -0.524  -5.549
  301   1HE   LYS  36          HE2       LYS  36  10.481  -0.669  -4.404
  302   2HE   LYS  36          HE3       LYS  36   9.658  -0.356  -2.873
  303   1HZ   LYS  36          HZ1       LYS  36   8.609  -2.410  -2.935
  304   2HZ   LYS  36          HZ2       LYS  36  10.174  -2.751  -3.486
  305   3HZ   LYS  36          HZ3       LYS  36   8.895  -2.637  -4.580
  306    H    ILE  37           HN       ILE  37   4.805   1.763  -4.642
  307    HA   ILE  37           HA       ILE  37   4.750   0.491  -1.969
  308    HB   ILE  37           HB       ILE  37   2.455   1.435  -3.703
  309   1HG1  ILE  37          HG12      ILE  37   3.357   2.343  -0.961
  310   2HG1  ILE  37          HG13      ILE  37   3.647   3.223  -2.462
  311   1HG2  ILE  37          HG21      ILE  37   2.193   0.275  -0.946
  312   2HG2  ILE  37          HG22      ILE  37   0.937   0.531  -2.169
  313   3HG2  ILE  37          HG23      ILE  37   2.146  -0.751  -2.382
  314   1HD1  ILE  37          HD11      ILE  37   1.294   3.144  -0.771
  315   2HD1  ILE  37          HD12      ILE  37   1.754   4.304  -2.022
  316   3HD1  ILE  37          HD13      ILE  37   0.919   2.810  -2.468
  317    H    MET  38           HN       MET  38   5.394  -1.618  -2.393
  318    HA   MET  38           HA       MET  38   4.777  -2.935  -4.855
  319   1HB   MET  38          HB2       MET  38   6.228  -3.639  -2.424
  320   2HB   MET  38          HB3       MET  38   5.275  -4.977  -3.050
  321   1HG   MET  38          HG2       MET  38   6.371  -4.730  -5.236
  322   2HG   MET  38          HG3       MET  38   7.331  -3.398  -4.594
  323   1HE   MET  38          HE1       MET  38   9.644  -4.655  -5.376
  324   2HE   MET  38          HE2       MET  38   9.883  -6.375  -5.081
  325   3HE   MET  38          HE3       MET  38   8.545  -5.844  -6.093
  326    H    PHE  39           HN       PHE  39   3.386  -4.684  -5.199
  327    HA   PHE  39           HA       PHE  39   1.197  -4.822  -3.267
  328   1HB   PHE  39          HB3       PHE  39   1.082  -3.131  -5.291
  329   2HB   PHE  39          HB2       PHE  39   0.536  -4.566  -6.145
  330    HD1  PHE  39           HD1      PHE  39  -1.741  -4.690  -6.333
  331    HD2  PHE  39           HD2      PHE  39  -0.003  -3.075  -2.817
  332    HE1  PHE  39           HE1      PHE  39  -3.999  -4.337  -5.407
  333    HE2  PHE  39           HE2      PHE  39  -2.255  -2.750  -1.849
  334    HZ   PHE  39           HZ       PHE  39  -4.254  -3.371  -3.153
  335    H    THR  40           HN       THR  40   0.481  -6.759  -2.935
  336    HA   THR  40           HA       THR  40   0.748  -8.793  -5.023
  337    HB   THR  40           HB       THR  40   0.909 -10.434  -3.050
  338    HG1  THR  40           HG1      THR  40   2.025  -8.377  -1.555
  339   1HG2  THR  40          HG21      THR  40   3.377  -9.048  -2.695
  340   2HG2  THR  40          HG22      THR  40   2.905  -8.981  -4.390
  341   3HG2  THR  40          HG23      THR  40   3.053 -10.545  -3.568
  342    H    GLU  41           HN       GLU  41  -1.176  -9.568  -5.637
  343    HA   GLU  41           HA       GLU  41  -3.524  -8.831  -4.041
  344   1HB   GLU  41          HB2       GLU  41  -3.301  -7.870  -6.292
  345   2HB   GLU  41          HB3       GLU  41  -3.290  -9.497  -6.976
  346   1HG   GLU  41          HG3       GLU  41  -5.569  -9.757  -5.809
  347   2HG   GLU  41          HG2       GLU  41  -5.544  -7.995  -5.720
  348    H    GLN  42           HN       GLN  42  -4.536 -10.349  -2.968
  349    HA   GLN  42           HA       GLN  42  -4.391 -13.144  -3.840
  350   1HB   GLN  42          HB2       GLN  42  -3.919 -12.596  -1.445
  351   2HB   GLN  42          HB3       GLN  42  -5.539 -11.939  -1.303
  352   1HG   GLN  42          HG2       GLN  42  -6.522 -14.081  -1.645
  353   2HG   GLN  42          HG3       GLN  42  -4.967 -14.791  -2.044
  354   1HE2  GLN  42          HE21      GLN  42  -3.734 -15.611  -0.449
  355   2HE2  GLN  42          HE22      GLN  42  -4.189 -15.596   1.227
  356    H    ASP  43           HN       ASP  43  -6.244 -14.131  -4.665
  357    HA   ASP  43           HA       ASP  43  -8.455 -12.331  -5.257
  358   1HB   ASP  43          HB2       ASP  43  -7.281 -13.800  -6.991
  359   2HB   ASP  43          HB3       ASP  43  -8.132 -15.153  -6.261
  360    H    ALA  44           HN       ALA  44  -8.649 -12.639  -2.770
  361    HA   ALA  44           HA       ALA  44  -9.972 -13.205  -1.034
  362   1HB   ALA  44          HB1       ALA  44 -12.180 -14.412  -1.667
  363   2HB   ALA  44          HB2       ALA  44 -11.925 -12.752  -2.180
  364   3HB   ALA  44          HB3       ALA  44 -11.679 -14.068  -3.334
  365    H    SER  45           HN       SER  45 -11.378 -16.031  -2.306
  366    HA   SER  45           HA       SER  45  -9.236 -17.712  -1.304
  367   1HB   SER  45          HB2       SER  45 -11.117 -19.021  -0.044
  368   2HB   SER  45          HB3       SER  45 -10.449 -17.563   0.684
  369    HG   SER  45           HG       SER  45 -12.290 -16.556   0.420
  370    H    THR  46           HN       THR  46 -10.715 -17.105  -3.953
  371    HA   THR  46           HA       THR  46 -11.609 -19.846  -4.524
  372    HB   THR  46           HB       THR  46 -12.410 -18.567  -6.703
  373    HG1  THR  46           HG1      THR  46 -11.973 -16.520  -6.491
  374   1HG2  THR  46          HG21      THR  46 -13.945 -19.680  -5.190
  375   2HG2  THR  46          HG22      THR  46 -14.567 -18.110  -5.683
  376   3HG2  THR  46          HG23      THR  46 -13.855 -18.314  -4.080
  377    H    SER  47           HN       SER  47 -10.283 -21.113  -5.562
  378    HA   SER  47           HA       SER  47  -8.656 -21.894  -6.933
  379   1HB   SER  47          HB3       SER  47  -8.834 -19.161  -8.244
  380   2HB   SER  47          HB2       SER  47  -8.035 -20.580  -8.926
  381    HG   SER  47           HG       SER  47 -10.144 -21.621  -8.825
  382    HA   PRO  48           HA       PRO  48  -4.726 -20.635  -5.280
  383   1HB   PRO  48          HB2       PRO  48  -3.480 -20.176  -7.918
  384   2HB   PRO  48          HB3       PRO  48  -3.046 -21.346  -6.671
  385   1HG   PRO  48          HG2       PRO  48  -4.223 -22.091  -8.975
  386   2HG   PRO  48          HG3       PRO  48  -4.517 -22.943  -7.465
  387   1HD   PRO  48          HD3       PRO  48  -6.230 -21.001  -8.927
  388   2HD   PRO  48          HD2       PRO  48  -6.681 -22.431  -7.959
  389    HA   PRO  49           HA       PRO  49  -5.348 -16.185  -5.737
  390   1HB   PRO  49          HB2       PRO  49  -4.108 -15.890  -3.141
  391   2HB   PRO  49          HB3       PRO  49  -5.807 -15.667  -3.593
  392   1HG   PRO  49          HG2       PRO  49  -4.904 -17.685  -1.993
  393   2HG   PRO  49          HG3       PRO  49  -6.368 -17.773  -2.961
  394   1HD   PRO  49          HD2       PRO  49  -3.663 -18.905  -3.519
  395   2HD   PRO  49          HD3       PRO  49  -5.271 -19.619  -3.830
  396    H    SER  50           HN       SER  50  -3.542 -14.630  -4.111
  397    HA   SER  50           HA       SER  50  -1.692 -13.371  -4.296
  398   1HB   SER  50          HB2       SER  50   0.497 -14.524  -4.609
  399   2HB   SER  50          HB3       SER  50  -0.510 -15.216  -3.334
  400    HG   SER  50           HG       SER  50  -1.079 -16.459  -5.617
  401    H    TYR  51           HN       TYR  51  -3.236 -14.313  -6.829
  402    HA   TYR  51           HA       TYR  51  -3.381 -13.722  -8.993
  403   1HB   TYR  51          HB2       TYR  51  -2.703 -11.499  -7.982
  404   2HB   TYR  51          HB3       TYR  51  -1.071 -11.846  -8.507
  405    HD1  TYR  51           HD1      TYR  51  -4.465 -12.051 -10.076
  406    HD2  TYR  51           HD2      TYR  51  -0.465 -10.645 -10.362
  407    HE1  TYR  51           HE1      TYR  51  -4.983 -11.038 -12.258
  408    HE2  TYR  51           HE2      TYR  51  -0.967  -9.641 -12.546
  409    HH   TYR  51           HH       TYR  51  -4.054 -10.146 -14.144
  410    H    THR  52           HN       THR  52   0.100 -13.383  -8.529
  411    HA   THR  52           HA       THR  52   0.885 -15.838  -9.591
  412    HB   THR  52           HB       THR  52   0.041 -15.162 -11.721
  413    HG1  THR  52           HG1      THR  52   2.162 -16.069 -11.737
  414   1HG2  THR  52          HG21      THR  52   1.217 -12.538 -11.070
  415   2HG2  THR  52          HG22      THR  52  -0.309 -12.945 -11.868
  416   3HG2  THR  52          HG23      THR  52   1.225 -13.056 -12.756
  417    H    HIS  53           HN       HIS  53   1.442 -12.474  -9.070
  418    HA   HIS  53           HA       HIS  53   3.551 -12.681  -7.351
  419   1HB   HIS  53          HB2       HIS  53   4.884 -13.523  -9.290
  420   2HB   HIS  53          HB3       HIS  53   4.579 -12.003 -10.127
  421    HD1  HIS  53           HD1      HIS  53   5.447  -9.810  -8.637
  422    HD2  HIS  53           HD2      HIS  53   7.212 -13.504  -7.873
  423    HE1  HIS  53           HE1      HIS  53   7.563  -9.300  -7.382
  424    HE2  HIS  53           HE2      HIS  53   8.506 -11.556  -6.753
  425    H    TYR  54           HN       TYR  54   2.423 -10.804 -10.132
  426    HA   TYR  54           HA       TYR  54   1.637  -8.693 -10.347
  427   1HB   TYR  54          HB2       TYR  54   0.594  -9.398  -8.002
  428   2HB   TYR  54          HB3       TYR  54   1.687  -8.164  -7.401
  429    HD1  TYR  54           HD1      TYR  54   1.440  -5.786  -8.293
  430    HD2  TYR  54           HD2      TYR  54  -1.467  -8.810  -9.012
  431    HE1  TYR  54           HE1      TYR  54  -0.198  -4.061  -8.904
  432    HE2  TYR  54           HE2      TYR  54  -3.114  -7.087  -9.627
  433    HH   TYR  54           HH       TYR  54  -3.089  -4.134  -8.883
  434    H    SER  55           HN       SER  55   2.232  -6.320  -9.695
  435    HA   SER  55           HA       SER  55   5.160  -6.183  -9.516
  436   1HB   SER  55          HB3       SER  55   4.721  -3.952 -10.794
  437   2HB   SER  55          HB2       SER  55   4.606  -5.480 -11.676
  438    HG   SER  55           HG       SER  55   2.808  -3.843 -11.881
  439    H    SER  56           HN       SER  56   4.357  -3.100  -9.571
  440    HA   SER  56           HA       SER  56   3.770  -2.837  -6.703
  441   1HB   SER  56          HB2       SER  56   5.900  -1.241  -8.146
  442   2HB   SER  56          HB3       SER  56   5.511  -1.186  -6.416
  443    HG   SER  56           HG       SER  56   7.258  -2.731  -7.654
  444    H    ILE  57           HN       ILE  57   3.254  -0.549  -6.135
  445    HA   ILE  57           HA       ILE  57   1.709   0.720  -8.295
  446    HB   ILE  57           HB       ILE  57   1.010  -0.018  -5.605
  447   1HG1  ILE  57          HG13      ILE  57  -0.331  -0.277  -7.705
  448   2HG1  ILE  57          HG12      ILE  57  -1.218   0.372  -6.324
  449   1HG2  ILE  57          HG21      ILE  57   1.672   2.157  -4.849
  450   2HG2  ILE  57          HG22      ILE  57   0.763   2.932  -6.147
  451   3HG2  ILE  57          HG23      ILE  57  -0.096   2.065  -4.874
  452   1HD1  ILE  57          HD11      ILE  57  -1.520   2.395  -7.273
  453   2HD1  ILE  57          HD12      ILE  57  -0.019   2.313  -8.205
  454   3HD1  ILE  57          HD13      ILE  57  -1.438   1.396  -8.734
  455    H    ARG  58           HN       ARG  58   1.808   3.028  -8.444
  456    HA   ARG  58           HA       ARG  58   4.405   4.040  -7.818
  457   1HB   ARG  58          HB2       ARG  58   3.866   5.854  -9.218
  458   2HB   ARG  58          HB3       ARG  58   3.107   4.453  -9.934
  459   1HG   ARG  58          HG3       ARG  58   0.967   5.131  -8.881
  460   2HG   ARG  58          HG2       ARG  58   1.744   6.625  -8.376
  461   1HD   ARG  58          HD2       ARG  58   1.136   5.656 -11.144
  462   2HD   ARG  58          HD3       ARG  58   0.676   7.183 -10.394
  463    HE   ARG  58           HE       ARG  58   3.492   7.041 -10.565
  464   1HH1  ARG  58          HH11      ARG  58   0.648   7.935 -12.372
  465   2HH1  ARG  58          HH12      ARG  58   1.517   8.289 -13.832
  466   1HH2  ARG  58          HH22      ARG  58   4.113   9.050 -12.537
  467   2HH2  ARG  58          HH21      ARG  58   4.272   7.599 -13.492
  468    H    LEU  59           HN       LEU  59   4.464   6.454  -7.060
  469    HA   LEU  59           HA       LEU  59   2.597   6.911  -4.864
  470   1HB   LEU  59          HB2       LEU  59   4.654   5.568  -4.114
  471   2HB   LEU  59          HB3       LEU  59   5.571   7.025  -4.399
  472    HG   LEU  59           HG       LEU  59   4.071   8.181  -2.733
  473   1HD1  LEU  59          HD11      LEU  59   3.048   5.397  -2.498
  474   2HD1  LEU  59          HD12      LEU  59   3.132   6.411  -1.069
  475   3HD1  LEU  59          HD13      LEU  59   2.177   6.927  -2.455
  476   1HD2  LEU  59          HD21      LEU  59   5.552   7.720  -1.096
  477   2HD2  LEU  59          HD22      LEU  59   5.371   5.968  -1.278
  478   3HD2  LEU  59          HD23      LEU  59   6.386   6.873  -2.399
  479    H    ASP  60           HN       ASP  60   3.510   8.030  -7.533
  480    HA   ASP  60           HA       ASP  60   4.267  10.726  -6.656
  481   1HB   ASP  60          HB2       ASP  60   4.588   9.367  -9.329
  482   2HB   ASP  60          HB3       ASP  60   4.924  11.071  -9.057
  483    H    LYS  61           HN       LYS  61   2.555   9.603  -9.603
  484    HA   LYS  61           HA       LYS  61   0.874  11.937  -9.363
  485   1HB   LYS  61          HB3       LYS  61   2.119  11.206 -11.452
  486   2HB   LYS  61          HB2       LYS  61   0.928   9.924 -11.599
  487   1HG   LYS  61          HG2       LYS  61  -0.845  11.559 -11.814
  488   2HG   LYS  61          HG3       LYS  61   0.303  12.867 -11.594
  489   1HD   LYS  61          HD2       LYS  61   1.430  12.316 -13.641
  490   2HD   LYS  61          HD3       LYS  61   0.439  10.865 -13.835
  491   1HE   LYS  61          HE2       LYS  61  -0.452  12.546 -15.270
  492   2HE   LYS  61          HE3       LYS  61  -1.569  12.331 -13.929
  493   1HZ   LYS  61          HZ1       LYS  61  -0.177  14.314 -12.948
  494   2HZ   LYS  61          HZ2       LYS  61  -1.459  14.578 -14.012
  495   3HZ   LYS  61          HZ3       LYS  61   0.125  14.619 -14.589
  496    H    TYR  62           HN       TYR  62   0.418   9.414  -7.712
  497    HA   TYR  62           HA       TYR  62  -2.268   8.685  -8.651
  498   1HB   TYR  62          HB3       TYR  62  -2.055   6.796  -7.377
  499   2HB   TYR  62          HB2       TYR  62  -0.357   7.116  -7.663
  500    HD1  TYR  62           HD1      TYR  62  -3.033   7.080  -5.212
  501    HD2  TYR  62           HD2      TYR  62   1.104   7.805  -5.841
  502    HE1  TYR  62           HE1      TYR  62  -2.666   7.018  -2.789
  503    HE2  TYR  62           HE2      TYR  62   1.485   7.767  -3.412
  504    HH   TYR  62           HH       TYR  62  -0.311   8.289  -1.260
  505    H    ASN  63           HN       ASN  63  -4.079   9.545  -7.679
  506    HA   ASN  63           HA       ASN  63  -3.655  11.587  -5.640
  507   1HB   ASN  63          HB3       ASN  63  -6.083  10.858  -7.288
  508   2HB   ASN  63          HB2       ASN  63  -6.075  12.124  -6.077
  509   1HD2  ASN  63          HD21      ASN  63  -6.014  11.690  -9.230
  510   2HD2  ASN  63          HD22      ASN  63  -5.289  13.200  -9.663
  511    H    ILE  64           HN       ILE  64  -3.650  10.915  -3.582
  512    HA   ILE  64           HA       ILE  64  -5.365   8.670  -2.837
  513    HB   ILE  64           HB       ILE  64  -2.964   8.654  -2.190
  514   1HG1  ILE  64          HG12      ILE  64  -3.360   7.927   0.153
  515   2HG1  ILE  64          HG13      ILE  64  -4.978   8.606   0.063
  516   1HG2  ILE  64          HG21      ILE  64  -3.407  11.251  -1.425
  517   2HG2  ILE  64          HG22      ILE  64  -3.306  10.394   0.114
  518   3HG2  ILE  64          HG23      ILE  64  -1.985  10.300  -1.050
  519   1HD1  ILE  64          HD11      ILE  64  -5.640   6.602  -0.616
  520   2HD1  ILE  64          HD12      ILE  64  -4.839   6.969  -2.151
  521   3HD1  ILE  64          HD13      ILE  64  -3.968   6.071  -0.893
  522    H    ARG  65           HN       ARG  65  -7.019   8.746  -1.473
  523    HA   ARG  65           HA       ARG  65  -7.569  11.184   0.056
  524   1HB   ARG  65          HB3       ARG  65  -9.660   9.777  -1.614
  525   2HB   ARG  65          HB2       ARG  65  -9.917  11.179  -0.592
  526   1HG   ARG  65          HG2       ARG  65  -8.172  11.172  -3.053
  527   2HG   ARG  65          HG3       ARG  65  -9.863  11.694  -3.014
  528   1HD   ARG  65          HD3       ARG  65  -7.672  12.887  -1.326
  529   2HD   ARG  65          HD2       ARG  65  -8.237  13.558  -2.861
  530    HE   ARG  65           HE       ARG  65  -9.532  13.738  -0.303
  531   1HH1  ARG  65          HH11      ARG  65  -9.959  15.063  -3.587
  532   2HH1  ARG  65          HH12      ARG  65 -11.071  13.729  -3.810
  533   1HH2  ARG  65          HH22      ARG  65 -11.397  15.617  -0.626
  534   2HH2  ARG  65          HH21      ARG  65 -12.451  14.277  -0.949
  535    H    GLN  66           HN       GLN  66  -8.418  10.733   2.013
  536    HA   GLN  66           HA       GLN  66  -9.116   7.924   2.573
  537   1HB   GLN  66          HB2       GLN  66  -7.982   8.045   4.696
  538   2HB   GLN  66          HB3       GLN  66  -6.855   8.468   3.414
  539   1HG   GLN  66          HG3       GLN  66  -8.249  10.475   5.172
  540   2HG   GLN  66          HG2       GLN  66  -6.642   9.823   5.482
  541   1HE2  GLN  66          HE21      GLN  66  -4.930  10.532   4.274
  542   2HE2  GLN  66          HE22      GLN  66  -5.022  11.720   3.037
  543    H    HIS  67           HN       HIS  67 -10.953   7.592   3.521
  544    HA   HIS  67           HA       HIS  67 -12.516   9.887   4.499
  545   1HB   HIS  67          HB3       HIS  67 -13.322   7.061   3.756
  546   2HB   HIS  67          HB2       HIS  67 -14.439   8.308   4.321
  547    HD1  HIS  67           HD1      HIS  67 -14.643  10.464   2.644
  548    HD2  HIS  67           HD2      HIS  67 -12.901   7.013   1.102
  549    HE1  HIS  67           HE1      HIS  67 -14.606  10.769   0.142
  550    HE2  HIS  67           HE2      HIS  67 -13.759   8.581  -0.764
  551    H    THR  68           HN       THR  68 -12.256  10.192   6.617
  552    HA   THR  68           HA       THR  68 -12.140   7.815   8.340
  553    HB   THR  68           HB       THR  68 -11.264  10.441   9.396
  554    HG1  THR  68           HG1      THR  68 -10.152  10.667   7.563
  555   1HG2  THR  68          HG21      THR  68 -11.105   7.912  10.323
  556   2HG2  THR  68          HG22      THR  68 -10.021   9.221  10.808
  557   3HG2  THR  68          HG23      THR  68  -9.526   8.084   9.545
  558    H    THR  69           HN       THR  69 -12.510   9.688  10.688
  559    HA   THR  69           HA       THR  69 -14.188  10.156  12.088
  560    HB   THR  69           HB       THR  69 -15.270  11.639   9.694
  561    HG1  THR  69           HG1      THR  69 -13.023  12.013  11.255
  562   1HG2  THR  69          HG21      THR  69 -16.433  13.003  11.082
  563   2HG2  THR  69          HG22      THR  69 -15.341  12.744  12.442
  564   3HG2  THR  69          HG23      THR  69 -16.541  11.497  12.002
  565    H    ASP  70           HN       ASP  70 -16.483  10.277   9.414
  566    HA   ASP  70           HA       ASP  70 -18.297   8.554  10.757
  567   1HB   ASP  70          HB3       ASP  70 -18.582   9.126   7.828
  568   2HB   ASP  70          HB2       ASP  70 -19.814   9.057   9.081
  569    H    GLU  71           HN       GLU  71 -15.900   8.110   8.234
  570    HA   GLU  71           HA       GLU  71 -16.684   5.272   8.128
  571   1HB   GLU  71          HB3       GLU  71 -15.537   6.959   5.897
  572   2HB   GLU  71          HB2       GLU  71 -15.868   5.233   5.792
  573   1HG   GLU  71          HG3       GLU  71 -18.248   5.653   6.083
  574   2HG   GLU  71          HG2       GLU  71 -17.930   7.372   6.257
  575    H    ASP  72           HN       ASP  72 -14.732   4.186   6.768
  576    HA   ASP  72           HA       ASP  72 -12.097   4.869   7.783
  577   1HB   ASP  72          HB2       ASP  72 -13.304   3.360   9.516
  578   2HB   ASP  72          HB3       ASP  72 -13.198   2.095   8.290
  579    H    THR  73           HN       THR  73 -11.586   5.155   5.615
  580    HA   THR  73           HA       THR  73 -11.027   2.800   4.081
  581    HB   THR  73           HB       THR  73 -13.094   4.716   2.991
  582    HG1  THR  73           HG1      THR  73 -13.480   2.646   4.562
  583   1HG2  THR  73          HG21      THR  73 -11.851   2.275   1.782
  584   2HG2  THR  73          HG22      THR  73 -11.870   3.916   1.156
  585   3HG2  THR  73          HG23      THR  73 -13.359   2.982   1.216
  586    H    ILE  74           HN       ILE  74  -9.475   3.070   2.679
  587    HA   ILE  74           HA       ILE  74  -8.471   5.791   2.123
  588    HB   ILE  74           HB       ILE  74  -6.933   3.196   1.840
  589   1HG1  ILE  74          HG13      ILE  74  -7.609   3.578   4.207
  590   2HG1  ILE  74          HG12      ILE  74  -5.865   3.646   3.971
  591   1HG2  ILE  74          HG21      ILE  74  -6.412   5.735   0.884
  592   2HG2  ILE  74          HG22      ILE  74  -5.403   5.606   2.338
  593   3HG2  ILE  74          HG23      ILE  74  -5.253   4.412   1.059
  594   1HD1  ILE  74          HD11      ILE  74  -7.323   5.469   5.353
  595   2HD1  ILE  74          HD12      ILE  74  -5.743   5.787   4.626
  596   3HD1  ILE  74          HD13      ILE  74  -7.214   6.230   3.750
  597    H    VAL  75           HN       VAL  75  -8.703   6.462   0.016
  598    HA   VAL  75           HA       VAL  75  -9.097   4.352  -1.986
  599    HB   VAL  75           HB       VAL  75 -10.668   5.796  -3.162
  600   1HG1  VAL  75          HG11      VAL  75 -12.560   5.575  -1.647
  601   2HG1  VAL  75          HG12      VAL  75 -11.540   4.152  -1.596
  602   3HG1  VAL  75          HG13      VAL  75 -11.441   5.331  -0.296
  603   1HG2  VAL  75          HG21      VAL  75 -10.099   7.981  -2.615
  604   2HG2  VAL  75          HG22      VAL  75 -11.649   7.733  -1.809
  605   3HG2  VAL  75          HG23      VAL  75 -10.132   7.664  -0.904
  606    H    LEU  76           HN       LEU  76  -8.145   4.562  -3.884
  607    HA   LEU  76           HA       LEU  76  -6.334   6.838  -4.213
  608   1HB   LEU  76          HB2       LEU  76  -6.124   4.014  -5.280
  609   2HB   LEU  76          HB3       LEU  76  -5.004   5.313  -5.659
  610    HG   LEU  76           HG       LEU  76  -4.666   5.411  -3.069
  611   1HD1  LEU  76          HD11      LEU  76  -5.271   2.488  -3.274
  612   2HD1  LEU  76          HD12      LEU  76  -5.016   3.489  -1.838
  613   3HD1  LEU  76          HD13      LEU  76  -6.511   3.630  -2.770
  614   1HD2  LEU  76          HD21      LEU  76  -2.754   4.913  -4.139
  615   2HD2  LEU  76          HD22      LEU  76  -3.064   3.322  -3.478
  616   3HD2  LEU  76          HD23      LEU  76  -3.497   3.676  -5.144
  617    H    GLN  77           HN       GLN  77  -6.942   8.237  -5.665
  618    HA   GLN  77           HA       GLN  77  -8.814   7.476  -7.780
  619   1HB   GLN  77          HB3       GLN  77  -8.054   9.998  -6.400
  620   2HB   GLN  77          HB2       GLN  77  -8.474  10.139  -8.097
  621   1HG   GLN  77          HG2       GLN  77 -10.380  10.597  -6.727
  622   2HG   GLN  77          HG3       GLN  77 -10.644   9.128  -7.665
  623   1HE2  GLN  77          HE21      GLN  77 -10.953  10.530  -4.719
  624   2HE2  GLN  77          HE22      GLN  77 -11.328   9.103  -3.832
  625    HA   PRO  78           HA       PRO  78  -6.612   7.747 -11.649
  626   1HB   PRO  78          HB2       PRO  78  -6.524  10.716 -11.354
  627   2HB   PRO  78          HB3       PRO  78  -6.873   9.746 -12.774
  628   1HG   PRO  78          HG3       PRO  78  -8.778  10.839 -11.011
  629   2HG   PRO  78          HG2       PRO  78  -9.076   9.603 -12.250
  630   1HD   PRO  78          HD3       PRO  78  -9.317   9.235  -9.483
  631   2HD   PRO  78          HD2       PRO  78  -9.200   7.947 -10.700
  632    H    GLN  79           HN       GLN  79  -4.789   6.854 -11.121
  633    HA   GLN  79           HA       GLN  79  -2.574   8.398 -10.006
  634   1HB   GLN  79          HB2       GLN  79  -2.548   5.432 -10.437
  635   2HB   GLN  79          HB3       GLN  79  -1.693   6.384  -9.228
  636   1HG   GLN  79          HG3       GLN  79  -3.792   6.779  -8.054
  637   2HG   GLN  79          HG2       GLN  79  -4.648   5.826  -9.265
  638   1HE2  GLN  79          HE21      GLN  79  -5.158   3.904  -8.485
  639   2HE2  GLN  79          HE22      GLN  79  -4.254   3.026  -7.313
  640    H    GLU  80           HN       GLU  80  -3.743   6.582 -12.700
  641    HA   GLU  80           HA       GLU  80  -1.598   7.516 -14.422
  642   1HB   GLU  80          HB3       GLU  80  -2.191   4.602 -13.935
  643   2HB   GLU  80          HB2       GLU  80  -1.462   5.149 -15.431
  644   1HG   GLU  80          HG2       GLU  80   0.379   6.147 -14.038
  645   2HG   GLU  80          HG3       GLU  80  -0.328   5.292 -12.658
  646    HA   PRO  81           HA       PRO  81  -4.813   7.910 -17.424
  647   1HB   PRO  81          HB2       PRO  81  -3.191   6.359 -19.363
  648   2HB   PRO  81          HB3       PRO  81  -3.852   8.018 -19.494
  649   1HG   PRO  81          HG2       PRO  81  -1.250   7.577 -19.092
  650   2HG   PRO  81          HG3       PRO  81  -2.089   8.932 -18.327
  651   1HD   PRO  81          HD2       PRO  81  -1.227   6.325 -17.138
  652   2HD   PRO  81          HD3       PRO  81  -1.232   7.950 -16.414
  653    H    GLY  82           HN       GLY  82  -3.259   4.756 -17.226
  654   1HA   GLY  82          HA1       GLY  82  -5.653   3.366 -18.160
  655   2HA   GLY  82          HA2       GLY  82  -4.115   2.625 -17.715
  656    H    LEU  83           HN       LEU  83  -3.538   3.016 -15.351
  657    HA   LEU  83           HA       LEU  83  -4.481   1.535 -13.569
  658   1HB   LEU  83          HB3       LEU  83  -3.092   3.847 -13.334
  659   2HB   LEU  83          HB2       LEU  83  -4.510   4.235 -12.383
  660    HG   LEU  83           HG       LEU  83  -4.033   2.630 -10.760
  661   1HD1  LEU  83          HD11      LEU  83  -3.698   0.789 -12.443
  662   2HD1  LEU  83          HD12      LEU  83  -2.017   1.325 -12.587
  663   3HD1  LEU  83          HD13      LEU  83  -2.623   0.723 -11.038
  664   1HD2  LEU  83          HD21      LEU  83  -1.769   4.188 -11.756
  665   2HD2  LEU  83          HD22      LEU  83  -2.356   3.976 -10.104
  666   3HD2  LEU  83          HD23      LEU  83  -1.280   2.778 -10.813
  667    HA   PRO  84           HA       PRO  84  -8.945   1.830 -13.358
  668   1HB   PRO  84          HB2       PRO  84  -9.188  -0.232 -11.574
  669   2HB   PRO  84          HB3       PRO  84  -8.906  -0.463 -13.299
  670   1HG   PRO  84          HG2       PRO  84  -6.920  -0.423 -11.042
  671   2HG   PRO  84          HG3       PRO  84  -7.092  -1.616 -12.343
  672   1HD   PRO  84          HD2       PRO  84  -5.246   0.289 -12.503
  673   2HD   PRO  84          HD3       PRO  84  -6.188  -0.179 -13.943
  674    H    SER  85           HN       SER  85 -10.055   0.879 -10.888
  675    HA   SER  85           HA       SER  85  -9.697   3.273  -9.243
  676   1HB   SER  85          HB2       SER  85 -11.938   1.242  -9.151
  677   2HB   SER  85          HB3       SER  85 -11.904   2.822  -8.374
  678    HG   SER  85           HG       SER  85 -11.703   3.671 -10.606
  679    H    PHE  86           HN       PHE  86  -8.500   3.001  -7.484
  680    HA   PHE  86           HA       PHE  86  -8.275   0.286  -6.372
  681   1HB   PHE  86          HB3       PHE  86  -6.202   1.200  -7.355
  682   2HB   PHE  86          HB2       PHE  86  -6.306   2.591  -6.285
  683    HD1  PHE  86           HD1      PHE  86  -3.932   1.967  -5.801
  684    HD2  PHE  86           HD2      PHE  86  -7.224  -0.499  -4.708
  685    HE1  PHE  86           HE1      PHE  86  -2.514   0.834  -4.142
  686    HE2  PHE  86           HE2      PHE  86  -5.816  -1.615  -3.020
  687    HZ   PHE  86           HZ       PHE  86  -3.463  -0.945  -2.740
  688    H    ARG  87           HN       ARG  87  -8.928  -0.047  -4.319
  689    HA   ARG  87           HA       ARG  87  -9.154   2.250  -2.512
  690   1HB   ARG  87          HB2       ARG  87 -11.339   0.175  -2.589
  691   2HB   ARG  87          HB3       ARG  87 -11.354   1.739  -1.776
  692   1HG   ARG  87          HG3       ARG  87 -12.651   2.337  -3.496
  693   2HG   ARG  87          HG2       ARG  87 -11.106   2.490  -4.370
  694   1HD   ARG  87          HD3       ARG  87 -11.329   0.290  -5.291
  695   2HD   ARG  87          HD2       ARG  87 -12.717  -0.068  -4.260
  696    HE   ARG  87           HE       ARG  87 -13.247   2.170  -5.930
  697   1HH1  ARG  87          HH11      ARG  87 -12.533  -1.226  -6.777
  698   2HH1  ARG  87          HH12      ARG  87 -14.233  -1.566  -6.712
  699   1HH2  ARG  87          HH21      ARG  87 -15.446   1.217  -7.438
  700   2HH2  ARG  87          HH22      ARG  87 -14.234   0.910  -8.630
  701    H    ILE  88           HN       ILE  88  -8.986   1.703  -0.314
  702    HA   ILE  88           HA       ILE  88  -8.534  -1.115   0.323
  703    HB   ILE  88           HB       ILE  88  -6.598  -0.122   1.898
  704   1HG1  ILE  88          HG12      ILE  88  -6.414   1.542  -0.619
  705   2HG1  ILE  88          HG13      ILE  88  -6.793   2.172   0.984
  706   1HG2  ILE  88          HG21      ILE  88  -5.784  -0.680  -0.911
  707   2HG2  ILE  88          HG22      ILE  88  -5.123  -1.318   0.603
  708   3HG2  ILE  88          HG23      ILE  88  -6.654  -1.935  -0.015
  709   1HD1  ILE  88          HD11      ILE  88  -4.593   2.626   0.960
  710   2HD1  ILE  88          HD12      ILE  88  -4.471   0.956   1.507
  711   3HD1  ILE  88          HD13      ILE  88  -4.219   1.352  -0.174
  712    H    LYS  89           HN       LYS  89  -9.732  -1.638   2.029
  713    HA   LYS  89           HA       LYS  89 -10.093   0.265   4.217
  714   1HB   LYS  89          HB3       LYS  89 -12.441   0.256   4.173
  715   2HB   LYS  89          HB2       LYS  89 -12.007   0.403   2.478
  716   1HG   LYS  89          HG2       LYS  89 -12.822  -1.611   1.923
  717   2HG   LYS  89          HG3       LYS  89 -12.409  -2.339   3.491
  718   1HD   LYS  89          HD2       LYS  89 -14.680  -0.403   2.988
  719   2HD   LYS  89          HD3       LYS  89 -14.842  -2.161   3.152
  720   1HE   LYS  89          HE3       LYS  89 -13.843  -1.965   5.428
  721   2HE   LYS  89          HE2       LYS  89 -13.916  -0.207   5.254
  722   1HZ   LYS  89          HZ1       LYS  89 -16.288  -0.343   5.010
  723   2HZ   LYS  89          HZ2       LYS  89 -15.821  -1.099   6.457
  724   3HZ   LYS  89          HZ3       LYS  89 -16.248  -2.035   5.104
  725    HA   PRO  90           HA       PRO  90  -9.774  -3.477   6.550
  726   1HB   PRO  90          HB3       PRO  90 -10.972  -2.795   8.859
  727   2HB   PRO  90          HB2       PRO  90  -9.443  -2.103   8.384
  728   1HG   PRO  90          HG3       PRO  90 -12.182  -0.943   8.209
  729   2HG   PRO  90          HG2       PRO  90 -10.648  -0.149   8.664
  730   1HD   PRO  90          HD2       PRO  90 -11.823   0.042   6.182
  731   2HD   PRO  90          HD3       PRO  90 -10.097   0.256   6.486
  732    H    LYS  91           HN       LYS  91 -11.440  -4.304   4.833
  733    HA   LYS  91           HA       LYS  91 -14.175  -4.466   5.493
  734   1HB   LYS  91          HB2       LYS  91 -13.085  -4.845   3.227
  735   2HB   LYS  91          HB3       LYS  91 -12.698  -6.465   3.791
  736   1HG   LYS  91          HG3       LYS  91 -15.083  -6.911   4.132
  737   2HG   LYS  91          HG2       LYS  91 -15.468  -5.298   3.555
  738   1HD   LYS  91          HD2       LYS  91 -14.443  -5.844   1.386
  739   2HD   LYS  91          HD3       LYS  91 -14.101  -7.473   1.976
  740   1HE   LYS  91          HE3       LYS  91 -16.847  -6.245   1.661
  741   2HE   LYS  91          HE2       LYS  91 -16.106  -7.425   0.577
  742   1HZ   LYS  91          HZ1       LYS  91 -17.122  -7.811   3.314
  743   2HZ   LYS  91          HZ2       LYS  91 -15.939  -8.853   2.698
  744   3HZ   LYS  91          HZ3       LYS  91 -17.437  -8.716   1.911
  745    H    ASP  92           HN       ASP  92 -11.754  -7.162   5.626
  746    HA   ASP  92           HA       ASP  92 -13.117  -8.108   8.012
  747   1HB   ASP  92          HB3       ASP  92 -14.109  -9.161   5.879
  748   2HB   ASP  92          HB2       ASP  92 -12.566 -10.010   5.748
  749    H    PHE  93           HN       PHE  93 -11.307  -7.796   9.252
  750    HA   PHE  93           HA       PHE  93  -9.297  -9.806   9.156
  751   1HB   PHE  93          HB2       PHE  93  -8.588  -7.930   7.437
  752   2HB   PHE  93          HB3       PHE  93  -8.167  -7.039   8.892
  753    HD1  PHE  93           HD1      PHE  93  -7.656 -10.507   7.575
  754    HD2  PHE  93           HD2      PHE  93  -6.011  -7.083   9.498
  755    HE1  PHE  93           HE1      PHE  93  -5.458 -11.615   7.679
  756    HE2  PHE  93           HE2      PHE  93  -3.819  -8.182   9.584
  757    HZ   PHE  93           HZ       PHE  93  -3.543 -10.445   8.676
  758    H    GLU  94           HN       GLU  94  -8.755 -10.169  11.238
  759    HA   GLU  94           HA       GLU  94  -9.539  -8.137  13.198
  760   1HB   GLU  94          HB2       GLU  94  -9.518  -9.987  14.827
  761   2HB   GLU  94          HB3       GLU  94 -10.588 -10.307  13.462
  762   1HG   GLU  94          HG2       GLU  94  -8.968 -11.787  12.484
  763   2HG   GLU  94          HG3       GLU  94  -7.798 -11.399  13.740
  764    H    THR  95           HN       THR  95  -8.257  -8.012  15.191
  765    HA   THR  95           HA       THR  95  -6.391  -7.399  16.291
  766    HB   THR  95           HB       THR  95  -4.979  -9.589  14.764
  767    HG1  THR  95           HG1      THR  95  -7.144  -9.722  16.414
  768   1HG2  THR  95          HG21      THR  95  -4.385  -9.748  17.477
  769   2HG2  THR  95          HG22      THR  95  -4.322  -8.017  17.104
  770   3HG2  THR  95          HG23      THR  95  -3.323  -9.156  16.190
  771    H    SER  96           HN       SER  96  -6.815  -5.627  14.355
  772    HA   SER  96           HA       SER  96  -4.136  -4.803  13.630
  773   1HB   SER  96          HB3       SER  96  -6.287  -5.275  11.543
  774   2HB   SER  96          HB2       SER  96  -4.789  -4.390  11.245
  775    HG   SER  96           HG       SER  96  -4.291  -6.788  12.399
  776    H    GLU  97           HN       GLU  97  -6.254  -4.007  15.392
  777    HA   GLU  97           HA       GLU  97  -7.744  -1.799  14.454
  778   1HB   GLU  97          HB2       GLU  97  -6.708  -2.049  17.269
  779   2HB   GLU  97          HB3       GLU  97  -8.203  -1.301  16.723
  780   1HG   GLU  97          HG2       GLU  97  -9.131  -3.441  16.159
  781   2HG   GLU  97          HG3       GLU  97  -7.598  -4.232  16.521
  782    H    TYR  98           HN       TYR  98  -4.678  -1.920  16.249
  783    HA   TYR  98           HA       TYR  98  -4.227   0.843  16.285
  784   1HB   TYR  98          HB2       TYR  98  -2.304  -1.480  16.442
  785   2HB   TYR  98          HB3       TYR  98  -1.770   0.190  16.569
  786    HD1  TYR  98           HD1      TYR  98  -4.280  -2.123  18.080
  787    HD2  TYR  98           HD2      TYR  98  -1.605   1.124  18.658
  788    HE1  TYR  98           HE1      TYR  98  -4.786  -2.155  20.492
  789    HE2  TYR  98           HE2      TYR  98  -2.080   1.101  21.069
  790    HH   TYR  98           HH       TYR  98  -4.331  -1.273  22.501
  791    H    VAL  99           HN       VAL  99  -2.888  -1.599  14.051
  792    HA   VAL  99           HA       VAL  99  -1.459   0.172  12.461
  793    HB   VAL  99           HB       VAL  99  -2.684  -2.420  11.510
  794   1HG1  VAL  99          HG21      VAL  99  -1.175  -0.646  10.124
  795   2HG1  VAL  99          HG22      VAL  99   0.065  -1.718  10.781
  796   3HG1  VAL  99          HG23      VAL  99  -1.242  -2.394   9.806
  797   1HG2  VAL  99          HG11      VAL  99  -1.055  -2.045  13.762
  798   2HG2  VAL  99          HG12      VAL  99  -1.489  -3.560  12.990
  799   3HG2  VAL  99          HG13      VAL  99  -0.015  -2.732  12.498
  800    H    ARG 100           HN       ARG 100  -4.816  -0.930  12.146
  801    HA   ARG 100           HA       ARG 100  -5.414   0.099   9.621
  802   1HB   ARG 100          HB2       ARG 100  -6.875  -0.809  11.951
  803   2HB   ARG 100          HB3       ARG 100  -7.705   0.506  11.151
  804   1HG   ARG 100          HG3       ARG 100  -8.426  -1.698  10.379
  805   2HG   ARG 100          HG2       ARG 100  -7.748  -0.718   9.081
  806   1HD   ARG 100          HD3       ARG 100  -5.648  -1.938   9.243
  807   2HD   ARG 100          HD2       ARG 100  -6.263  -2.849  10.614
  808    HE   ARG 100           HE       ARG 100  -8.039  -3.234   8.524
  809   1HH1  ARG 100          HH12      ARG 100  -4.447  -4.036   8.413
  810   2HH1  ARG 100          HH11      ARG 100  -5.012  -5.427   9.299
  811   1HH2  ARG 100          HH22      ARG 100  -7.934  -5.657   7.782
  812   2HH2  ARG 100          HH21      ARG 100  -6.568  -5.653   6.724
  813    H    LYS 101           HN       LYS 101  -5.936   1.654  12.773
  814    HA   LYS 101           HA       LYS 101  -6.759   4.115  11.659
  815   1HB   LYS 101          HB3       LYS 101  -5.977   3.205  14.387
  816   2HB   LYS 101          HB2       LYS 101  -6.177   4.923  14.064
  817   1HG   LYS 101          HG2       LYS 101  -8.251   4.172  14.880
  818   2HG   LYS 101          HG3       LYS 101  -8.468   4.336  13.142
  819   1HD   LYS 101          HD3       LYS 101  -8.009   1.880  12.938
  820   2HD   LYS 101          HD2       LYS 101  -8.029   1.793  14.693
  821   1HE   LYS 101          HE2       LYS 101 -10.183   1.150  13.928
  822   2HE   LYS 101          HE3       LYS 101 -10.323   2.755  14.638
  823   1HZ   LYS 101          HZ1       LYS 101  -9.961   3.505  12.190
  824   2HZ   LYS 101          HZ2       LYS 101 -11.496   3.021  12.718
  825   3HZ   LYS 101          HZ3       LYS 101 -10.530   1.951  11.833
  826    H    ALA 102           HN       ALA 102  -3.678   2.768  12.266
  827    HA   ALA 102           HA       ALA 102  -2.175   5.172  12.412
  828   1HB   ALA 102          HB1       ALA 102  -0.360   3.410  11.515
  829   2HB   ALA 102          HB2       ALA 102  -0.871   3.511  13.196
  830   3HB   ALA 102          HB3       ALA 102  -1.580   2.302  12.135
  831    H    TRP 103           HN       TRP 103  -2.528   2.809   9.710
  832    HA   TRP 103           HA       TRP 103  -1.229   4.195   7.718
  833   1HB   TRP 103          HB3       TRP 103  -3.671   2.449   7.529
  834   2HB   TRP 103          HB2       TRP 103  -2.860   3.100   6.108
  835    HD1  TRP 103           HD1      TRP 103  -1.940   0.881   9.157
  836    HE1  TRP 103           HE1      TRP 103  -0.279  -0.910   8.343
  837    HE3  TRP 103           HE3      TRP 103  -1.345   2.440   4.321
  838    HZ2  TRP 103           HZ2      TRP 103   1.114  -1.553   5.970
  839    HZ3  TRP 103           HZ3      TRP 103   0.171   1.171   2.848
  840    HH2  TRP 103           HH2      TRP 103   1.377  -0.774   3.655
  841    H    LEU 104           HN       LEU 104  -4.300   4.954   9.119
  842    HA   LEU 104           HA       LEU 104  -5.357   6.585   7.052
  843   1HB   LEU 104          HB2       LEU 104  -5.927   6.156   9.927
  844   2HB   LEU 104          HB3       LEU 104  -6.382   7.720   9.291
  845    HG   LEU 104           HG       LEU 104  -8.241   6.080   9.293
  846   1HD1  LEU 104          HD21      LEU 104  -7.400   6.950   6.540
  847   2HD1  LEU 104          HD22      LEU 104  -9.041   6.629   7.095
  848   3HD1  LEU 104          HD23      LEU 104  -8.139   7.992   7.730
  849   1HD2  LEU 104          HD11      LEU 104  -6.371   4.299   8.366
  850   2HD2  LEU 104          HD12      LEU 104  -8.124   4.051   8.376
  851   3HD2  LEU 104          HD13      LEU 104  -7.318   4.663   6.925
  852    H    ARG 105           HN       ARG 105  -2.986   7.040   9.536
  853    HA   ARG 105           HA       ARG 105  -2.846   9.918   9.038
  854   1HB   ARG 105          HB3       ARG 105  -2.588   8.896  11.390
  855   2HB   ARG 105          HB2       ARG 105  -0.994   8.364  10.855
  856   1HG   ARG 105          HG3       ARG 105  -1.478  11.173  10.291
  857   2HG   ARG 105          HG2       ARG 105  -1.634  10.797  11.999
  858   1HD   ARG 105          HD2       ARG 105   0.609  11.462  11.577
  859   2HD   ARG 105          HD3       ARG 105   0.598   9.730  11.936
  860    HE   ARG 105           HE       ARG 105   0.501  10.060   9.149
  861   1HH1  ARG 105          HH11      ARG 105   3.197  10.065  11.703
  862   2HH1  ARG 105          HH12      ARG 105   3.437  11.594  10.895
  863   1HH2  ARG 105          HH22      ARG 105   2.866  10.637   7.944
  864   2HH2  ARG 105          HH21      ARG 105   3.503   9.158   8.572
  865    H    ASP 106           HN       ASP 106  -1.022   6.937   8.664
  866    HA   ASP 106           HA       ASP 106   1.323   8.034   7.546
  867   1HB   ASP 106          HB2       ASP 106   0.088   5.294   7.405
  868   2HB   ASP 106          HB3       ASP 106   1.604   5.670   6.599
  869    H    ILE 107           HN       ILE 107  -1.766   8.007   6.160
  870    HA   ILE 107           HA       ILE 107  -0.552   8.124   3.492
  871    HB   ILE 107           HB       ILE 107  -2.510   6.385   4.236
  872   1HG1  ILE 107          HG12      ILE 107  -3.095   6.287   1.772
  873   2HG1  ILE 107          HG13      ILE 107  -2.069   7.694   1.543
  874   1HG2  ILE 107          HG21      ILE 107  -3.922   8.843   3.239
  875   2HG2  ILE 107          HG22      ILE 107  -4.639   7.230   3.253
  876   3HG2  ILE 107          HG23      ILE 107  -4.157   7.988   4.766
  877   1HD1  ILE 107          HD11      ILE 107  -0.827   5.727   0.981
  878   2HD1  ILE 107          HD12      ILE 107  -0.172   6.385   2.485
  879   3HD1  ILE 107          HD13      ILE 107  -1.240   4.970   2.540
  880    H    ALA 108           HN       ALA 108  -2.103   9.675   6.008
  881    HA   ALA 108           HA       ALA 108  -3.367  11.833   4.598
  882   1HB   ALA 108          HB1       ALA 108  -3.451  10.863   7.182
  883   2HB   ALA 108          HB2       ALA 108  -2.640  12.428   7.334
  884   3HB   ALA 108          HB3       ALA 108  -4.236  12.333   6.583
  885    H    GLU 109           HN       GLU 109  -0.253  10.988   5.490
  886    HA   GLU 109           HA       GLU 109   0.937  13.251   4.268
  887   1HB   GLU 109          HB3       GLU 109   2.310  13.811   6.371
  888   2HB   GLU 109          HB2       GLU 109   0.670  14.443   6.268
  889   1HG   GLU 109          HG2       GLU 109   0.052  12.285   7.582
  890   2HG   GLU 109          HG3       GLU 109   1.760  12.280   8.011
  891    H    GLU 110           HN       GLU 110   1.531  11.386   3.084
  892    HA   GLU 110           HA       GLU 110   3.065   9.235   4.112
  893   1HB   GLU 110          HB3       GLU 110   3.355  10.101   1.264
  894   2HB   GLU 110          HB2       GLU 110   3.228   8.484   1.937
  895   1HG   GLU 110          HG2       GLU 110   1.009   8.434   1.772
  896   2HG   GLU 110          HG3       GLU 110   0.811  10.131   2.188
  897    H    GLN 111           HN       GLN 111   5.231   8.759   2.962
  898    HA   GLN 111           HA       GLN 111   7.482   9.140   3.387
  899   1HB   GLN 111          HB3       GLN 111   8.304  10.583   1.450
  900   2HB   GLN 111          HB2       GLN 111   7.333   9.171   1.055
  901   1HG   GLN 111          HG2       GLN 111   5.350  10.831   1.032
  902   2HG   GLN 111          HG3       GLN 111   6.605  12.070   0.911
  903   1HE2  GLN 111          HE21      GLN 111   4.529  10.338  -0.868
  904   2HE2  GLN 111          HE22      GLN 111   5.377  10.337  -2.371
  905    H    GLU 112           HN       GLU 112   7.595  10.076   5.419
  906    HA   GLU 112           HA       GLU 112   7.302  12.805   5.989
  907   1HB   GLU 112          HB2       GLU 112   9.136  10.849   7.371
  908   2HB   GLU 112          HB3       GLU 112   8.464  12.320   8.064
  909   1HG   GLU 112          HG2       GLU 112   7.101  10.746   9.010
  910   2HG   GLU 112          HG3       GLU 112   6.176  11.121   7.549
  911    H    LYS 113           HN       LYS 113   9.953  10.953   4.717
  912    HA   LYS 113           HA       LYS 113  11.984  12.884   5.156
  913   1HB   LYS 113          HB3       LYS 113  11.820  10.454   3.379
  914   2HB   LYS 113          HB2       LYS 113  13.260  11.468   3.459
  915   1HG   LYS 113          HG2       LYS 113  13.619   9.628   4.920
  916   2HG   LYS 113          HG3       LYS 113  13.306  11.031   5.941
  917   1HD   LYS 113          HD2       LYS 113  10.957  10.296   6.194
  918   2HD   LYS 113          HD3       LYS 113  11.336   8.864   5.231
  919   1HE   LYS 113          HE2       LYS 113  12.912   8.098   6.873
  920   2HE   LYS 113          HE3       LYS 113  12.683   9.562   7.832
  921   1HZ   LYS 113          HZ1       LYS 113  10.259   8.853   7.959
  922   2HZ   LYS 113          HZ2       LYS 113  11.365   7.920   8.845
  923   3HZ   LYS 113          HZ3       LYS 113  10.775   7.342   7.362
  924    H    TYR 114           HN       TYR 114   9.562  12.556   2.744
  925    HA   TYR 114           HA       TYR 114  10.736  13.891   0.569
  926   1HB   TYR 114          HB3       TYR 114   8.744  12.692   0.188
  927   2HB   TYR 114          HB2       TYR 114   7.896  13.523   1.492
  928    HD1  TYR 114           HD1      TYR 114   7.151  15.870   1.168
  929    HD2  TYR 114           HD2      TYR 114   8.773  13.563  -2.009
  930    HE1  TYR 114           HE1      TYR 114   6.180  17.437  -0.449
  931    HE2  TYR 114           HE2      TYR 114   7.810  15.124  -3.644
  932    HH   TYR 114           HH       TYR 114   6.640  18.171  -2.789
  933    H    ALA 115           HN       ALA 115   9.026  15.110   3.387
  934    HA   ALA 115           HA       ALA 115   8.939  17.807   2.500
  935   1HB   ALA 115          HB1       ALA 115   8.870  17.317   5.393
  936   2HB   ALA 115          HB2       ALA 115   7.754  18.198   4.364
  937   3HB   ALA 115          HB3       ALA 115   7.666  16.453   4.445
  938    H    ALA 116           HN       ALA 116  10.665  18.973   2.173
  939    HA   ALA 116           HA       ALA 116  13.170  18.513   3.489
  940   1HB   ALA 116          HB1       ALA 116  13.634  20.831   2.334
  941   2HB   ALA 116          HB2       ALA 116  13.486  19.354   1.366
  942   3HB   ALA 116          HB3       ALA 116  12.124  20.470   1.487
  943    H    GLU 117           HN       GLU 117  10.416  20.576   3.874
  944    HA   GLU 117           HA       GLU 117  11.727  21.993   6.070
  945   1HB   GLU 117          HB3       GLU 117  10.538  23.297   4.286
  946   2HB   GLU 117          HB2       GLU 117   9.040  22.563   4.826
  947   1HG   GLU 117          HG2       GLU 117   9.472  23.541   7.085
  948   2HG   GLU 117          HG3       GLU 117  10.835  24.403   6.374
  949    H    ARG 118           HN       ARG 118  11.462  21.157   7.992
  950    HA   ARG 118           HA       ARG 118   8.849  20.065   8.731
  951   1HB   ARG 118          HB3       ARG 118  10.244  18.166   8.023
  952   2HB   ARG 118          HB2       ARG 118  11.494  18.659   9.153
  953   1HG   ARG 118          HG3       ARG 118   9.929  18.259  11.016
  954   2HG   ARG 118          HG2       ARG 118   8.752  17.665   9.844
  955   1HD   ARG 118          HD2       ARG 118  10.290  15.911   9.145
  956   2HD   ARG 118          HD3       ARG 118  11.512  16.522  10.257
  957    HE   ARG 118           HE       ARG 118   9.206  15.929  11.731
  958   1HH1  ARG 118          HH12      ARG 118  11.512  13.865   9.780
  959   2HH1  ARG 118          HH11      ARG 118  12.268  13.708  11.358
  960   1HH2  ARG 118          HH22      ARG 118   9.572  14.016  13.225
  961   2HH2  ARG 118          HH21      ARG 118   9.808  12.579  12.293
  962    H    ASP 119           HN       ASP 119  12.037  20.046  10.245
  963    HA   ASP 119           HA       ASP 119  11.373  22.210  12.030
  964   1HB   ASP 119          HB3       ASP 119  10.287  20.425  13.224
  965   2HB   ASP 119          HB2       ASP 119  11.689  19.377  13.060
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1  20.716  -9.231  20.366
    2   2H    MET   1          HT2       MET   1  21.275  -7.853  21.225
    3   3H    MET   1          HT3       MET   1  22.119  -9.346  21.352
    4    HA   MET   1           HA       MET   1  22.490  -7.275  19.557
    5   1HB   MET   1          HB3       MET   1  23.662 -10.001  20.074
    6   2HB   MET   1          HB2       MET   1  24.296  -8.969  18.799
    7   1HG   MET   1          HG3       MET   1  25.649  -8.700  20.748
    8   2HG   MET   1          HG2       MET   1  24.724  -7.214  20.507
    9   1HE   MET   1          HE1       MET   1  26.107  -7.836  23.458
   10   2HE   MET   1          HE2       MET   1  25.258  -6.398  22.869
   11   3HE   MET   1          HE3       MET   1  24.749  -7.172  24.367
   12    H    GLY   2           HN       GLY   2  22.545  -7.257  17.294
   13   1HA   GLY   2          HA1       GLY   2  22.211  -8.386  15.171
   14   2HA   GLY   2          HA2       GLY   2  21.004  -9.394  15.955
   15    H    ASP   3           HN       ASP   3  19.599  -8.694  14.164
   16    HA   ASP   3           HA       ASP   3  18.828  -5.935  14.006
   17   1HB   ASP   3          HB2       ASP   3  18.635  -7.319  12.022
   18   2HB   ASP   3          HB3       ASP   3  17.563  -8.432  12.862
   19    H    THR   4           HN       THR   4  17.063  -8.867  14.920
   20    HA   THR   4           HA       THR   4  15.431  -9.315  16.407
   21    HB   THR   4           HB       THR   4  16.166  -6.734  17.796
   22    HG1  THR   4           HG1      THR   4  17.378  -9.296  17.837
   23   1HG2  THR   4          HG21      THR   4  15.526  -9.057  19.419
   24   2HG2  THR   4          HG22      THR   4  14.180  -8.540  18.396
   25   3HG2  THR   4          HG23      THR   4  14.929  -7.399  19.523
   26    H    GLY   5           HN       GLY   5  15.168  -5.770  16.509
   27   1HA   GLY   5          HA2       GLY   5  12.770  -5.851  14.869
   28   2HA   GLY   5          HA1       GLY   5  12.523  -5.403  16.555
   29    H    LYS   6           HN       LYS   6  14.719  -4.581  13.857
   30    HA   LYS   6           HA       LYS   6  14.825  -1.844  14.860
   31   1HB   LYS   6          HB3       LYS   6  16.335  -3.236  12.644
   32   2HB   LYS   6          HB2       LYS   6  16.495  -1.523  12.994
   33   1HG   LYS   6          HG2       LYS   6  17.362  -2.015  15.198
   34   2HG   LYS   6          HG3       LYS   6  17.104  -3.733  14.947
   35   1HD   LYS   6          HD2       LYS   6  18.721  -3.690  13.087
   36   2HD   LYS   6          HD3       LYS   6  18.998  -1.983  13.378
   37   1HE   LYS   6          HE3       LYS   6  19.912  -2.427  15.550
   38   2HE   LYS   6          HE2       LYS   6  19.464  -4.125  15.442
   39   1HZ   LYS   6          HZ1       LYS   6  20.999  -4.162  13.410
   40   2HZ   LYS   6          HZ2       LYS   6  21.717  -4.107  14.946
   41   3HZ   LYS   6          HZ3       LYS   6  21.617  -2.692  14.015
   42    H    LEU   7           HN       LEU   7  15.036  -0.266  12.732
   43    HA   LEU   7           HA       LEU   7  12.351  -0.356  11.626
   44   1HB   LEU   7          HB3       LEU   7  14.490   1.768  11.386
   45   2HB   LEU   7          HB2       LEU   7  12.840   1.920  10.814
   46    HG   LEU   7           HG       LEU   7  13.576   1.518  13.712
   47   1HD1  LEU   7          HD21      LEU   7  12.525   4.095  13.289
   48   2HD1  LEU   7          HD22      LEU   7  14.141   3.652  13.830
   49   3HD1  LEU   7          HD23      LEU   7  13.821   3.865  12.108
   50   1HD2  LEU   7          HD11      LEU   7  11.070   1.594  12.237
   51   2HD2  LEU   7          HD12      LEU   7  11.409   1.029  13.870
   52   3HD2  LEU   7          HD13      LEU   7  11.127   2.743  13.589
   53    H    GLY   8           HN       GLY   8  12.918  -2.283  10.320
   54   1HA   GLY   8          HA1       GLY   8  14.642  -1.799   8.021
   55   2HA   GLY   8          HA2       GLY   8  13.784  -3.297   8.392
   56    H    ARG   9           HN       ARG   9  11.254  -2.110   8.808
   57    HA   ARG   9           HA       ARG   9  10.400  -1.819   6.053
   58   1HB   ARG   9          HB2       ARG   9   8.738  -1.726   8.579
   59   2HB   ARG   9          HB3       ARG   9   8.169  -2.035   6.944
   60   1HG   ARG   9          HG3       ARG   9   8.972  -4.186   6.920
   61   2HG   ARG   9          HG2       ARG   9  10.219  -3.838   8.130
   62   1HD   ARG   9          HD2       ARG   9   8.269  -3.476   9.751
   63   2HD   ARG   9          HD3       ARG   9   7.264  -4.258   8.529
   64    HE   ARG   9           HE       ARG   9   8.994  -5.530  10.379
   65   1HH1  ARG   9          HH12      ARG   9   8.026  -6.192   6.874
   66   2HH1  ARG   9          HH11      ARG   9   7.155  -7.496   7.632
   67   1HH2  ARG   9          HH21      ARG   9   9.961  -7.991   9.414
   68   2HH2  ARG   9          HH22      ARG   9   8.300  -8.333   9.835
   69    H    ILE  10           HN       ILE  10  11.426   0.141   5.635
   70    HA   ILE  10           HA       ILE  10  11.462   2.480   6.943
   71    HB   ILE  10           HB       ILE  10  12.646   2.249   4.927
   72   1HG1  ILE  10          HG12      ILE  10  11.944   4.308   3.649
   73   2HG1  ILE  10          HG13      ILE  10  10.536   4.389   4.698
   74   1HG2  ILE  10          HG21      ILE  10  11.553   2.168   2.712
   75   2HG2  ILE  10          HG22      ILE  10  11.233   0.748   3.716
   76   3HG2  ILE  10          HG23      ILE  10  10.000   1.989   3.525
   77   1HD1  ILE  10          HD11      ILE  10  11.952   4.671   6.637
   78   2HD1  ILE  10          HD12      ILE  10  13.393   4.489   5.637
   79   3HD1  ILE  10          HD13      ILE  10  12.341   5.885   5.416
   80    H    ILE  11           HN       ILE  11   8.670   1.472   4.917
   81    HA   ILE  11           HA       ILE  11   7.212   3.747   6.081
   82    HB   ILE  11           HB       ILE  11   6.383   2.079   3.689
   83   1HG1  ILE  11          HG13      ILE  11   7.535   4.872   3.854
   84   2HG1  ILE  11          HG12      ILE  11   8.277   3.464   3.091
   85   1HG2  ILE  11          HG21      ILE  11   4.631   3.282   5.244
   86   2HG2  ILE  11          HG22      ILE  11   5.162   4.718   4.370
   87   3HG2  ILE  11          HG23      ILE  11   4.478   3.344   3.471
   88   1HD1  ILE  11          HD11      ILE  11   5.612   4.160   2.070
   89   2HD1  ILE  11          HD12      ILE  11   6.874   5.364   1.776
   90   3HD1  ILE  11          HD13      ILE  11   7.087   3.708   1.207
   91    H    ARG  12           HN       ARG  12   5.453   1.017   4.789
   92    HA   ARG  12           HA       ARG  12   5.181  -0.297   7.352
   93   1HB   ARG  12          HB3       ARG  12   2.892   1.267   6.142
   94   2HB   ARG  12          HB2       ARG  12   2.641  -0.068   7.262
   95   1HG   ARG  12          HG3       ARG  12   3.868   1.054   8.996
   96   2HG   ARG  12          HG2       ARG  12   4.286   2.367   7.899
   97   1HD   ARG  12          HD2       ARG  12   1.958   2.994   7.713
   98   2HD   ARG  12          HD3       ARG  12   1.491   1.635   8.742
   99    HE   ARG  12           HE       ARG  12   2.452   4.184   9.589
  100   1HH1  ARG  12          HH11      ARG  12   2.996   0.734  10.965
  101   2HH1  ARG  12          HH12      ARG  12   1.681   1.284  11.951
  102   1HH2  ARG  12          HH21      ARG  12   3.633   4.271  11.874
  103   2HH2  ARG  12          HH22      ARG  12   2.346   3.542  12.789
  104    H    HIS  13           HN       HIS  13   3.286  -1.937   7.179
  105    HA   HIS  13           HA       HIS  13   2.771  -2.998   4.550
  106   1HB   HIS  13          HB2       HIS  13   3.998  -4.981   4.620
  107   2HB   HIS  13          HB3       HIS  13   5.128  -3.829   5.309
  108    HD1  HIS  13           HD1      HIS  13   4.892  -3.806   8.161
  109    HD2  HIS  13           HD2      HIS  13   3.876  -7.246   6.047
  110    HE1  HIS  13           HE1      HIS  13   5.011  -5.692   9.823
  111    HE2  HIS  13           HE2      HIS  13   4.414  -7.767   8.523
  112    H    ASP  14           HN       ASP  14   0.863  -4.109   4.544
  113    HA   ASP  14           HA       ASP  14  -0.082  -5.371   6.973
  114   1HB   ASP  14          HB2       ASP  14  -0.779  -2.859   7.007
  115   2HB   ASP  14          HB3       ASP  14  -1.919  -3.330   5.747
  116    H    ALA  15           HN       ALA  15  -2.100  -6.520   6.620
  117    HA   ALA  15           HA       ALA  15  -2.281  -7.477   3.841
  118   1HB   ALA  15          HB1       ALA  15  -3.570  -9.223   5.706
  119   2HB   ALA  15          HB2       ALA  15  -2.175  -9.534   4.674
  120   3HB   ALA  15          HB3       ALA  15  -1.946  -8.844   6.277
  121    H    PHE  16           HN       PHE  16  -3.785  -6.052   3.050
  122    HA   PHE  16           HA       PHE  16  -6.290  -5.706   4.481
  123   1HB   PHE  16          HB2       PHE  16  -5.287  -4.498   1.897
  124   2HB   PHE  16          HB3       PHE  16  -6.861  -4.160   2.598
  125    HD1  PHE  16           HD1      PHE  16  -3.232  -3.979   3.397
  126    HD2  PHE  16           HD2      PHE  16  -7.128  -2.411   4.050
  127    HE1  PHE  16           HE1      PHE  16  -2.267  -2.140   4.716
  128    HE2  PHE  16           HE2      PHE  16  -6.171  -0.571   5.374
  129    HZ   PHE  16           HZ       PHE  16  -3.738  -0.433   5.705
  130    H    GLN  17           HN       GLN  17  -8.311  -6.162   3.551
  131    HA   GLN  17           HA       GLN  17  -8.336  -7.952   1.241
  132   1HB   GLN  17          HB3       GLN  17  -8.301  -9.239   3.462
  133   2HB   GLN  17          HB2       GLN  17  -9.905  -8.580   3.746
  134   1HG   GLN  17          HG3       GLN  17 -10.796  -9.714   1.864
  135   2HG   GLN  17          HG2       GLN  17  -9.187 -10.177   1.307
  136   1HE2  GLN  17          HE21      GLN  17  -9.156 -10.388   4.572
  137   2HE2  GLN  17          HE22      GLN  17  -9.372 -12.099   4.709
  138    H    VAL  18           HN       VAL  18  -8.991  -5.925   0.374
  139    HA   VAL  18           HA       VAL  18 -11.855  -5.335   0.720
  140    HB   VAL  18           HB       VAL  18 -10.686  -3.742   2.058
  141   1HG1  VAL  18          HG11      VAL  18  -8.921  -3.276  -0.340
  142   2HG1  VAL  18          HG12      VAL  18  -8.832  -2.400   1.200
  143   3HG1  VAL  18          HG13      VAL  18  -8.470  -4.140   1.137
  144   1HG2  VAL  18          HG21      VAL  18 -12.182  -2.958  -0.200
  145   2HG2  VAL  18          HG22      VAL  18 -11.959  -2.085   1.324
  146   3HG2  VAL  18          HG23      VAL  18 -10.860  -1.806  -0.030
  147    H    TRP  19           HN       TRP  19 -12.851  -4.445  -1.053
  148    HA   TRP  19           HA       TRP  19 -12.671  -5.410  -3.489
  149   1HB   TRP  19          HB2       TRP  19 -13.347  -2.521  -2.934
  150   2HB   TRP  19          HB3       TRP  19 -13.946  -3.506  -4.271
  151    HD1  TRP  19           HD1      TRP  19 -15.685  -5.519  -3.591
  152    HE1  TRP  19           HE1      TRP  19 -17.369  -5.676  -1.646
  153    HE3  TRP  19           HE3      TRP  19 -13.696  -1.963  -0.517
  154    HZ2  TRP  19           HZ2      TRP  19 -17.790  -4.450   0.855
  155    HZ3  TRP  19           HZ3      TRP  19 -14.801  -1.514   1.635
  156    HH2  TRP  19           HH2      TRP  19 -16.799  -2.740   2.312
  157    H    GLU  20           HN       GLU  20 -11.580  -5.248  -5.326
  158    HA   GLU  20           HA       GLU  20  -9.139  -3.669  -5.399
  159   1HB   GLU  20          HB2       GLU  20  -9.192  -6.095  -6.016
  160   2HB   GLU  20          HB3       GLU  20 -10.225  -5.685  -7.377
  161   1HG   GLU  20          HG3       GLU  20  -8.424  -4.342  -8.341
  162   2HG   GLU  20          HG2       GLU  20  -7.385  -4.775  -6.981
  163    H    GLY  21           HN       GLY  21 -11.820  -2.576  -5.604
  164   1HA   GLY  21          HA2       GLY  21 -11.915  -0.356  -6.823
  165   2HA   GLY  21          HA1       GLY  21 -11.728  -1.340  -8.273
  166    H    ASP  22           HN       ASP  22 -13.642  -1.477  -9.299
  167    HA   ASP  22           HA       ASP  22 -16.107  -1.513  -7.729
  168   1HB   ASP  22          HB3       ASP  22 -17.282  -1.332  -9.879
  169   2HB   ASP  22          HB2       ASP  22 -16.087  -0.057  -9.694
  170    H    GLU  23           HN       GLU  23 -13.983  -3.725  -8.230
  171    HA   GLU  23           HA       GLU  23 -15.774  -5.854  -9.145
  172   1HB   GLU  23          HB3       GLU  23 -12.786  -5.830  -8.656
  173   2HB   GLU  23          HB2       GLU  23 -13.703  -7.236  -9.197
  174   1HG   GLU  23          HG2       GLU  23 -14.383  -5.924 -11.200
  175   2HG   GLU  23          HG3       GLU  23 -13.268  -4.660 -10.682
  176    HA   PRO  24           HA       PRO  24 -16.483  -7.726  -5.189
  177   1HB   PRO  24          HB2       PRO  24 -14.865 -10.088  -6.004
  178   2HB   PRO  24          HB3       PRO  24 -16.520 -10.014  -5.371
  179   1HG   PRO  24          HG2       PRO  24 -16.025 -10.470  -7.961
  180   2HG   PRO  24          HG3       PRO  24 -17.422  -9.544  -7.431
  181   1HD   PRO  24          HD2       PRO  24 -14.912  -8.610  -8.706
  182   2HD   PRO  24          HD3       PRO  24 -16.546  -7.915  -8.776
  183    HA   PRO  25           HA       PRO  25 -12.958  -6.895  -2.665
  184   1HB   PRO  25          HB3       PRO  25 -13.466  -8.543  -0.535
  185   2HB   PRO  25          HB2       PRO  25 -14.234  -6.978  -0.783
  186   1HG   PRO  25          HG3       PRO  25 -15.257  -9.719  -1.381
  187   2HG   PRO  25          HG2       PRO  25 -16.120  -8.333  -0.711
  188   1HD   PRO  25          HD2       PRO  25 -16.365  -9.056  -3.294
  189   2HD   PRO  25          HD3       PRO  25 -16.414  -7.349  -2.787
  190    H    LYS  26           HN       LYS  26 -10.936  -7.580  -2.701
  191    HA   LYS  26           HA       LYS  26 -10.399 -10.471  -2.786
  192   1HB   LYS  26          HB3       LYS  26  -8.816  -8.482  -4.389
  193   2HB   LYS  26          HB2       LYS  26  -8.806 -10.237  -4.518
  194   1HG   LYS  26          HG3       LYS  26 -11.017 -10.208  -5.491
  195   2HG   LYS  26          HG2       LYS  26 -11.109  -8.457  -5.275
  196   1HD   LYS  26          HD3       LYS  26  -9.076  -8.256  -6.713
  197   2HD   LYS  26          HD2       LYS  26  -9.216  -9.981  -7.052
  198   1HE   LYS  26          HE3       LYS  26 -11.437  -9.613  -7.998
  199   2HE   LYS  26          HE2       LYS  26 -11.307  -7.892  -7.644
  200   1HZ   LYS  26          HZ1       LYS  26 -10.756  -8.197  -9.913
  201   2HZ   LYS  26          HZ2       LYS  26  -9.679  -9.454  -9.566
  202   3HZ   LYS  26          HZ3       LYS  26  -9.296  -7.871  -9.102
  203    H    LEU  27           HN       LEU  27  -8.434 -11.112  -1.884
  204    HA   LEU  27           HA       LEU  27  -7.484  -9.493   0.256
  205   1HB   LEU  27          HB3       LEU  27  -7.620 -11.966   0.339
  206   2HB   LEU  27          HB2       LEU  27  -6.383 -12.070  -0.893
  207    HG   LEU  27           HG       LEU  27  -4.774 -11.010   0.678
  208   1HD1  LEU  27          HD21      LEU  27  -6.397 -11.569   3.042
  209   2HD1  LEU  27          HD22      LEU  27  -5.335 -10.209   2.694
  210   3HD1  LEU  27          HD23      LEU  27  -6.984 -10.203   2.075
  211   1HD2  LEU  27          HD11      LEU  27  -5.379 -13.562   0.466
  212   2HD2  LEU  27          HD12      LEU  27  -4.250 -12.988   1.694
  213   3HD2  LEU  27          HD13      LEU  27  -5.920 -13.338   2.122
  214    H    ARG  28           HN       ARG  28  -5.637  -8.230   0.375
  215    HA   ARG  28           HA       ARG  28  -3.624  -8.444  -1.691
  216   1HB   ARG  28          HB2       ARG  28  -3.808  -5.896  -2.098
  217   2HB   ARG  28          HB3       ARG  28  -4.884  -6.990  -2.953
  218   1HG   ARG  28          HG3       ARG  28  -6.436  -6.479  -0.856
  219   2HG   ARG  28          HG2       ARG  28  -5.478  -4.988  -0.861
  220   1HD   ARG  28          HD2       ARG  28  -7.531  -4.760  -2.191
  221   2HD   ARG  28          HD3       ARG  28  -6.080  -4.584  -3.178
  222    HE   ARG  28           HE       ARG  28  -8.020  -6.746  -3.290
  223   1HH1  ARG  28          HH11      ARG  28  -5.781  -5.470  -5.854
  224   2HH1  ARG  28          HH12      ARG  28  -4.560  -6.123  -4.806
  225   1HH2  ARG  28          HH22      ARG  28  -6.716  -8.809  -4.841
  226   2HH2  ARG  28          HH21      ARG  28  -7.131  -7.757  -6.169
  227    H    TYR  29           HN       TYR  29  -1.799  -8.443  -0.645
  228    HA   TYR  29           HA       TYR  29  -1.548  -7.126   1.914
  229   1HB   TYR  29          HB3       TYR  29   0.425  -8.728   0.271
  230   2HB   TYR  29          HB2       TYR  29   0.806  -8.016   1.834
  231    HD1  TYR  29           HD1      TYR  29   1.442 -10.309   2.529
  232    HD2  TYR  29           HD2      TYR  29  -2.552  -9.321   1.454
  233    HE1  TYR  29           HE1      TYR  29   0.646 -12.356   3.629
  234    HE2  TYR  29           HE2      TYR  29  -3.358 -11.362   2.556
  235    HH   TYR  29           HH       TYR  29  -2.006 -12.936   4.713
  236    H    VAL  30           HN       VAL  30  -1.106  -5.049   2.037
  237    HA   VAL  30           HA       VAL  30   0.185  -3.732  -0.225
  238    HB   VAL  30           HB       VAL  30  -1.092  -2.429   2.191
  239   1HG1  VAL  30          HG21      VAL  30   0.052  -1.442  -0.388
  240   2HG1  VAL  30          HG22      VAL  30  -1.269  -0.558   0.377
  241   3HG1  VAL  30          HG23      VAL  30   0.253  -0.802   1.241
  242   1HG2  VAL  30          HG11      VAL  30  -2.815  -3.655   1.084
  243   2HG2  VAL  30          HG12      VAL  30  -2.974  -1.968   0.575
  244   3HG2  VAL  30          HG13      VAL  30  -2.236  -3.151  -0.505
  245    H    PHE  31           HN       PHE  31   2.251  -3.397  -0.211
  246    HA   PHE  31           HA       PHE  31   3.655  -2.901   2.336
  247   1HB   PHE  31          HB3       PHE  31   4.966  -4.105  -0.114
  248   2HB   PHE  31          HB2       PHE  31   5.611  -4.009   1.517
  249    HD1  PHE  31           HD1      PHE  31   3.526  -5.866  -0.774
  250    HD2  PHE  31           HD2      PHE  31   4.804  -5.508   3.266
  251    HE1  PHE  31           HE1      PHE  31   2.674  -8.120  -0.314
  252    HE2  PHE  31           HE2      PHE  31   3.967  -7.773   3.739
  253    HZ   PHE  31           HZ       PHE  31   2.893  -9.083   1.950
  254    H    LEU  32           HN       LEU  32   4.282  -0.782   2.377
  255    HA   LEU  32           HA       LEU  32   4.998   0.426  -0.208
  256   1HB   LEU  32          HB3       LEU  32   4.691   2.408   1.804
  257   2HB   LEU  32          HB2       LEU  32   3.804   2.243   0.334
  258    HG   LEU  32           HG       LEU  32   2.358   0.533   1.670
  259   1HD1  LEU  32          HD21      LEU  32   4.197   1.241   3.629
  260   2HD1  LEU  32          HD22      LEU  32   2.707   2.094   4.053
  261   3HD1  LEU  32          HD23      LEU  32   2.700   0.338   3.839
  262   1HD2  LEU  32          HD11      LEU  32   1.335   2.470   0.872
  263   2HD2  LEU  32          HD12      LEU  32   1.093   2.573   2.615
  264   3HD2  LEU  32          HD13      LEU  32   2.366   3.526   1.833
  265    H    PHE  33           HN       PHE  33   7.115   0.937  -0.411
  266    HA   PHE  33           HA       PHE  33   8.648   1.229   2.061
  267   1HB   PHE  33          HB2       PHE  33   9.378  -0.575  -0.238
  268   2HB   PHE  33          HB3       PHE  33  10.542  -0.048   0.970
  269    HD1  PHE  33           HD1      PHE  33   7.490  -2.005   0.406
  270    HD2  PHE  33           HD2      PHE  33  10.591  -1.036   3.159
  271    HE1  PHE  33           HE1      PHE  33   6.799  -3.874   1.843
  272    HE2  PHE  33           HE2      PHE  33   9.895  -2.896   4.602
  273    HZ   PHE  33           HZ       PHE  33   8.000  -4.322   3.941
  274    H    ARG  34           HN       ARG  34   9.394   3.084   2.103
  275    HA   ARG  34           HA       ARG  34  10.430   5.001   1.692
  276   1HB   ARG  34          HB3       ARG  34  12.185   3.340   0.940
  277   2HB   ARG  34          HB2       ARG  34  11.702   3.733  -0.709
  278   1HG   ARG  34          HG2       ARG  34  12.609   5.818  -0.629
  279   2HG   ARG  34          HG3       ARG  34  12.341   5.984   1.109
  280   1HD   ARG  34          HD2       ARG  34  14.144   4.310   1.479
  281   2HD   ARG  34          HD3       ARG  34  14.470   4.340  -0.251
  282    HE   ARG  34           HE       ARG  34  15.717   6.196   0.121
  283   1HH1  ARG  34          HH12      ARG  34  13.013   6.997   2.630
  284   2HH1  ARG  34          HH11      ARG  34  14.314   6.424   3.639
  285   1HH2  ARG  34          HH21      ARG  34  15.528   8.815   1.304
  286   2HH2  ARG  34          HH22      ARG  34  16.573   7.877   2.334
  287    H    ASN  35           HN       ASN  35  10.756   4.621  -1.725
  288    HA   ASN  35           HA       ASN  35   8.823   6.802  -1.984
  289   1HB   ASN  35          HB3       ASN  35  11.319   6.940  -2.673
  290   2HB   ASN  35          HB2       ASN  35  10.805   6.045  -4.100
  291   1HD2  ASN  35          HD21      ASN  35  11.292   9.026  -2.821
  292   2HD2  ASN  35          HD22      ASN  35  10.472   9.949  -4.042
  293    H    LYS  36           HN       LYS  36   7.461   4.433  -1.865
  294    HA   LYS  36           HA       LYS  36   5.899   4.517  -4.120
  295   1HB   LYS  36          HB2       LYS  36   6.404   2.551  -5.384
  296   2HB   LYS  36          HB3       LYS  36   7.870   3.510  -5.268
  297   1HG   LYS  36          HG3       LYS  36   8.811   2.033  -3.660
  298   2HG   LYS  36          HG2       LYS  36   7.286   1.175  -3.467
  299   1HD   LYS  36          HD2       LYS  36   7.418   0.334  -5.734
  300   2HD   LYS  36          HD3       LYS  36   8.893   1.279  -6.020
  301   1HE   LYS  36          HE2       LYS  36   9.915  -0.012  -4.086
  302   2HE   LYS  36          HE3       LYS  36   8.524  -1.088  -4.205
  303   1HZ   LYS  36          HZ1       LYS  36   9.943  -0.554  -6.692
  304   2HZ   LYS  36          HZ2       LYS  36   9.277  -2.001  -6.118
  305   3HZ   LYS  36          HZ3       LYS  36  10.780  -1.484  -5.543
  306    H    ILE  37           HN       ILE  37   4.293   2.805  -4.216
  307    HA   ILE  37           HA       ILE  37   3.956   1.395  -1.634
  308    HB   ILE  37           HB       ILE  37   1.727   2.560  -3.347
  309   1HG1  ILE  37          HG12      ILE  37   2.892   3.506  -0.718
  310   2HG1  ILE  37          HG13      ILE  37   2.884   4.378  -2.244
  311   1HG2  ILE  37          HG21      ILE  37   0.283   1.377  -2.127
  312   2HG2  ILE  37          HG22      ILE  37   1.668   0.443  -1.578
  313   3HG2  ILE  37          HG23      ILE  37   1.088   1.804  -0.617
  314   1HD1  ILE  37          HD11      ILE  37   0.550   3.761  -0.463
  315   2HD1  ILE  37          HD12      ILE  37   1.215   5.341  -0.880
  316   3HD1  ILE  37          HD13      ILE  37   0.380   4.392  -2.106
  317    H    MET  38           HN       MET  38   3.364  -0.761  -1.850
  318    HA   MET  38           HA       MET  38   2.749  -1.761  -4.554
  319   1HB   MET  38          HB2       MET  38   4.675  -2.968  -2.560
  320   2HB   MET  38          HB3       MET  38   4.156  -3.755  -4.042
  321   1HG   MET  38          HG3       MET  38   5.210  -2.047  -5.368
  322   2HG   MET  38          HG2       MET  38   5.602  -1.121  -3.922
  323   1HE   MET  38          HE1       MET  38   6.561  -3.523  -1.905
  324   2HE   MET  38          HE2       MET  38   8.287  -3.295  -2.169
  325   3HE   MET  38          HE3       MET  38   7.221  -1.899  -2.073
  326    H    PHE  39           HN       PHE  39   1.582  -3.738  -4.593
  327    HA   PHE  39           HA       PHE  39   0.704  -5.038  -2.244
  328   1HB   PHE  39          HB2       PHE  39  -1.605  -4.437  -2.150
  329   2HB   PHE  39          HB3       PHE  39  -0.699  -2.930  -2.139
  330    HD1  PHE  39           HD1      PHE  39  -0.370  -1.794  -4.449
  331    HD2  PHE  39           HD2      PHE  39  -3.350  -4.697  -3.595
  332    HE1  PHE  39           HE1      PHE  39  -1.679  -1.008  -6.373
  333    HE2  PHE  39           HE2      PHE  39  -4.666  -3.924  -5.524
  334    HZ   PHE  39           HZ       PHE  39  -3.829  -2.078  -6.922
  335    H    THR  40           HN       THR  40   0.076  -7.054  -2.781
  336    HA   THR  40           HA       THR  40   0.071  -7.657  -5.609
  337    HB   THR  40           HB       THR  40  -0.123 -10.067  -4.581
  338    HG1  THR  40           HG1      THR  40   0.870 -10.078  -2.486
  339   1HG2  THR  40          HG21      THR  40   2.490  -9.112  -3.826
  340   2HG2  THR  40          HG22      THR  40   1.979  -8.460  -5.394
  341   3HG2  THR  40          HG23      THR  40   2.021 -10.208  -5.116
  342    H    GLU  41           HN       GLU  41  -1.612  -7.949  -6.778
  343    HA   GLU  41           HA       GLU  41  -4.237  -7.753  -5.691
  344   1HB   GLU  41          HB2       GLU  41  -3.302  -8.314  -8.505
  345   2HB   GLU  41          HB3       GLU  41  -4.951  -7.908  -8.039
  346   1HG   GLU  41          HG2       GLU  41  -4.316  -5.723  -7.388
  347   2HG   GLU  41          HG3       GLU  41  -2.601  -6.110  -7.529
  348    H    GLN  42           HN       GLN  42  -3.976  -9.732  -4.331
  349    HA   GLN  42           HA       GLN  42  -3.959 -12.286  -5.593
  350   1HB   GLN  42          HB2       GLN  42  -4.785 -11.425  -2.818
  351   2HB   GLN  42          HB3       GLN  42  -4.748 -13.103  -3.342
  352   1HG   GLN  42          HG3       GLN  42  -2.334 -12.811  -3.868
  353   2HG   GLN  42          HG2       GLN  42  -2.424 -11.203  -3.169
  354   1HE2  GLN  42          HE21      GLN  42  -1.529 -11.181  -1.274
  355   2HE2  GLN  42          HE22      GLN  42  -1.467 -12.498  -0.155
  356    H    ASP  43           HN       ASP  43  -5.721 -13.660  -6.001
  357    HA   ASP  43           HA       ASP  43  -8.198 -12.196  -6.435
  358   1HB   ASP  43          HB3       ASP  43  -7.104 -13.387  -8.347
  359   2HB   ASP  43          HB2       ASP  43  -7.455 -14.914  -7.527
  360    H    ALA  44           HN       ALA  44  -9.045 -12.210  -4.458
  361    HA   ALA  44           HA       ALA  44 -10.302 -12.876  -2.730
  362   1HB   ALA  44          HB1       ALA  44 -11.571 -13.927  -4.689
  363   2HB   ALA  44          HB2       ALA  44 -10.872 -15.454  -4.157
  364   3HB   ALA  44          HB3       ALA  44 -11.920 -14.533  -3.069
  365    H    SER  45           HN       SER  45 -10.564 -15.969  -2.248
  366    HA   SER  45           HA       SER  45  -8.108 -16.096  -0.650
  367   1HB   SER  45          HB2       SER  45 -10.595 -16.371   0.247
  368   2HB   SER  45          HB3       SER  45 -10.361 -18.032  -0.291
  369    HG   SER  45           HG       SER  45  -9.007 -16.592   1.717
  370    H    THR  46           HN       THR  46  -8.242 -16.707  -3.530
  371    HA   THR  46           HA       THR  46  -7.063 -19.368  -3.377
  372    HB   THR  46           HB       THR  46  -8.230 -19.754  -5.703
  373    HG1  THR  46           HG1      THR  46 -10.518 -18.832  -5.158
  374   1HG2  THR  46          HG21      THR  46  -9.548 -20.098  -3.038
  375   2HG2  THR  46          HG22      THR  46  -8.653 -21.287  -3.978
  376   3HG2  THR  46          HG23      THR  46 -10.235 -20.725  -4.533
  377    H    SER  47           HN       SER  47  -6.193 -19.793  -5.863
  378    HA   SER  47           HA       SER  47  -4.935 -17.261  -6.669
  379   1HB   SER  47          HB3       SER  47  -3.507 -19.913  -6.391
  380   2HB   SER  47          HB2       SER  47  -2.786 -18.396  -6.937
  381    HG   SER  47           HG       SER  47  -3.765 -19.070  -4.367
  382    HA   PRO  48           HA       PRO  48  -6.410 -19.891 -10.325
  383   1HB   PRO  48          HB3       PRO  48  -8.493 -17.918 -10.857
  384   2HB   PRO  48          HB2       PRO  48  -8.633 -19.662 -10.666
  385   1HG   PRO  48          HG2       PRO  48  -9.583 -17.911  -8.825
  386   2HG   PRO  48          HG3       PRO  48  -8.974 -19.520  -8.391
  387   1HD   PRO  48          HD3       PRO  48  -7.605 -16.856  -8.203
  388   2HD   PRO  48          HD2       PRO  48  -7.623 -18.200  -7.032
  389    HA   PRO  49           HA       PRO  49  -5.387 -16.224 -13.090
  390   1HB   PRO  49          HB2       PRO  49  -6.006 -13.647 -11.993
  391   2HB   PRO  49          HB3       PRO  49  -6.772 -14.461 -13.358
  392   1HG   PRO  49          HG3       PRO  49  -8.019 -13.940 -10.964
  393   2HG   PRO  49          HG2       PRO  49  -8.497 -15.231 -12.085
  394   1HD   PRO  49          HD2       PRO  49  -6.830 -15.398  -9.599
  395   2HD   PRO  49          HD3       PRO  49  -8.095 -16.503 -10.184
  396    H    SER  50           HN       SER  50  -4.994 -15.234  -9.728
  397    HA   SER  50           HA       SER  50  -3.313 -14.420  -8.483
  398   1HB   SER  50          HB2       SER  50  -0.979 -15.224  -9.037
  399   2HB   SER  50          HB3       SER  50  -2.194 -16.480  -8.821
  400    HG   SER  50           HG       SER  50  -2.027 -15.655 -11.405
  401    H    TYR  51           HN       TYR  51  -2.867 -12.389  -8.287
  402    HA   TYR  51           HA       TYR  51  -2.267 -10.248  -8.710
  403   1HB   TYR  51          HB3       TYR  51  -0.150 -11.847  -9.638
  404   2HB   TYR  51          HB2       TYR  51  -0.443 -10.690 -10.937
  405    HD1  TYR  51           HD1      TYR  51  -1.284  -8.332  -9.283
  406    HD2  TYR  51           HD2      TYR  51   1.907 -11.105  -8.810
  407    HE1  TYR  51           HE1      TYR  51   0.032  -6.613  -8.119
  408    HE2  TYR  51           HE2      TYR  51   3.226  -9.396  -7.640
  409    HH   TYR  51           HH       TYR  51   3.383  -7.220  -7.149
  410    H    THR  52           HN       THR  52  -4.464 -10.098  -9.553
  411    HA   THR  52           HA       THR  52  -5.559 -10.474 -11.919
  412    HB   THR  52           HB       THR  52  -5.841  -7.736 -10.728
  413    HG1  THR  52           HG1      THR  52  -6.766  -8.544  -8.985
  414   1HG2  THR  52          HG21      THR  52  -8.316  -8.642 -11.017
  415   2HG2  THR  52          HG22      THR  52  -7.538  -9.601 -12.272
  416   3HG2  THR  52          HG23      THR  52  -7.451  -7.834 -12.314
  417    H    HIS  53           HN       HIS  53  -3.829  -7.338 -11.438
  418    HA   HIS  53           HA       HIS  53  -3.481  -7.310 -14.377
  419   1HB   HIS  53          HB2       HIS  53  -3.321  -4.862 -12.635
  420   2HB   HIS  53          HB3       HIS  53  -3.606  -4.955 -14.370
  421    HD1  HIS  53           HD1      HIS  53  -5.336  -5.279 -11.056
  422    HD2  HIS  53           HD2      HIS  53  -6.279  -5.246 -15.117
  423    HE1  HIS  53           HE1      HIS  53  -7.844  -5.115 -11.177
  424    HE2  HIS  53           HE2      HIS  53  -8.396  -5.024 -13.634
  425    H    TYR  54           HN       TYR  54  -1.819  -7.657 -11.495
  426    HA   TYR  54           HA       TYR  54   0.380  -7.619 -10.888
  427   1HB   TYR  54          HB3       TYR  54   0.558  -8.806 -13.224
  428   2HB   TYR  54          HB2       TYR  54   1.196  -7.256 -13.775
  429    HD1  TYR  54           HD1      TYR  54   2.970  -6.339 -11.756
  430    HD2  TYR  54           HD2      TYR  54   2.251 -10.352 -12.974
  431    HE1  TYR  54           HE1      TYR  54   5.191  -6.981 -10.927
  432    HE2  TYR  54           HE2      TYR  54   4.476 -11.002 -12.150
  433    HH   TYR  54           HH       TYR  54   6.225 -10.356 -10.856
  434    H    SER  55           HN       SER  55  -0.622  -5.541 -10.184
  435    HA   SER  55           HA       SER  55   0.404  -3.215 -11.614
  436   1HB   SER  55          HB2       SER  55  -1.573  -3.310  -9.340
  437   2HB   SER  55          HB3       SER  55  -1.260  -1.954 -10.428
  438    HG   SER  55           HG       SER  55  -2.910  -4.071 -10.761
  439    H    SER  56           HN       SER  56   1.200  -1.406 -10.484
  440    HA   SER  56           HA       SER  56   2.412  -1.863  -7.870
  441   1HB   SER  56          HB3       SER  56   3.988  -0.969 -10.305
  442   2HB   SER  56          HB2       SER  56   4.613  -1.118  -8.666
  443    HG   SER  56           HG       SER  56   3.396  -3.400  -9.455
  444    H    ILE  57           HN       ILE  57   2.719   0.155  -6.738
  445    HA   ILE  57           HA       ILE  57   1.352   2.353  -8.125
  446    HB   ILE  57           HB       ILE  57   1.509   1.763  -5.175
  447   1HG1  ILE  57          HG13      ILE  57  -0.629   1.583  -7.287
  448   2HG1  ILE  57          HG12      ILE  57  -0.037   0.305  -6.228
  449   1HG2  ILE  57          HG21      ILE  57   1.164   3.961  -4.871
  450   2HG2  ILE  57          HG22      ILE  57   0.898   4.233  -6.590
  451   3HG2  ILE  57          HG23      ILE  57  -0.438   3.686  -5.568
  452   1HD1  ILE  57          HD11      ILE  57  -1.018   2.324  -4.554
  453   2HD1  ILE  57          HD12      ILE  57  -2.205   2.114  -5.861
  454   3HD1  ILE  57          HD13      ILE  57  -1.727   0.731  -4.874
  455    H    ARG  58           HN       ARG  58   2.003   4.453  -7.913
  456    HA   ARG  58           HA       ARG  58   4.658   4.954  -6.798
  457   1HB   ARG  58          HB2       ARG  58   5.493   6.055  -8.697
  458   2HB   ARG  58          HB3       ARG  58   4.732   4.604  -9.330
  459   1HG   ARG  58          HG3       ARG  58   2.950   6.893  -9.233
  460   2HG   ARG  58          HG2       ARG  58   4.350   7.103 -10.287
  461   1HD   ARG  58          HD2       ARG  58   2.355   4.849 -10.364
  462   2HD   ARG  58          HD3       ARG  58   2.505   6.161 -11.531
  463    HE   ARG  58           HE       ARG  58   3.946   3.747 -11.570
  464   1HH1  ARG  58          HH11      ARG  58   5.648   6.996 -11.607
  465   2HH1  ARG  58          HH12      ARG  58   5.041   7.111 -13.245
  466   1HH2  ARG  58          HH22      ARG  58   6.404   3.851 -12.627
  467   2HH2  ARG  58          HH21      ARG  58   5.625   4.354 -14.105
  468    H    LEU  59           HN       LEU  59   5.016   7.081  -6.178
  469    HA   LEU  59           HA       LEU  59   2.637   8.428  -5.296
  470   1HB   LEU  59          HB2       LEU  59   5.542   8.556  -4.804
  471   2HB   LEU  59          HB3       LEU  59   4.675  10.060  -4.572
  472    HG   LEU  59           HG       LEU  59   3.168   8.856  -2.964
  473   1HD1  LEU  59          HD11      LEU  59   5.011   6.604  -3.634
  474   2HD1  LEU  59          HD12      LEU  59   4.286   6.717  -2.026
  475   3HD1  LEU  59          HD13      LEU  59   3.258   6.602  -3.440
  476   1HD2  LEU  59          HD21      LEU  59   5.290  10.156  -2.374
  477   2HD2  LEU  59          HD22      LEU  59   4.603   9.081  -1.157
  478   3HD2  LEU  59          HD23      LEU  59   6.013   8.574  -2.089
  479    H    ASP  60           HN       ASP  60   4.651   8.592  -8.014
  480    HA   ASP  60           HA       ASP  60   4.962  11.108  -8.825
  481   1HB   ASP  60          HB2       ASP  60   4.026   8.773 -10.467
  482   2HB   ASP  60          HB3       ASP  60   4.397  10.337 -11.189
  483    H    LYS  61           HN       LYS  61   1.935   9.471  -9.938
  484    HA   LYS  61           HA       LYS  61   0.603  12.065  -9.523
  485   1HB   LYS  61          HB3       LYS  61   0.579  10.495 -12.095
  486   2HB   LYS  61          HB2       LYS  61  -0.471  11.860 -11.756
  487   1HG   LYS  61          HG3       LYS  61   1.625  13.234 -11.436
  488   2HG   LYS  61          HG2       LYS  61   2.508  11.862 -12.107
  489   1HD   LYS  61          HD2       LYS  61   0.285  13.389 -13.449
  490   2HD   LYS  61          HD3       LYS  61   2.000  13.471 -13.853
  491   1HE   LYS  61          HE3       LYS  61   2.000  11.188 -14.582
  492   2HE   LYS  61          HE2       LYS  61   0.359  10.952 -13.995
  493   1HZ   LYS  61          HZ1       LYS  61  -0.527  12.210 -15.694
  494   2HZ   LYS  61          HZ2       LYS  61   0.739  11.413 -16.483
  495   3HZ   LYS  61          HZ3       LYS  61   0.914  13.025 -16.006
  496    H    TYR  62           HN       TYR  62   0.198   9.697  -7.941
  497    HA   TYR  62           HA       TYR  62  -2.409   8.762  -8.896
  498   1HB   TYR  62          HB3       TYR  62  -2.286   6.974  -7.381
  499   2HB   TYR  62          HB2       TYR  62  -0.627   7.151  -7.934
  500    HD1  TYR  62           HD1      TYR  62   0.839   8.770  -6.368
  501    HD2  TYR  62           HD2      TYR  62  -2.630   6.641  -5.142
  502    HE1  TYR  62           HE1      TYR  62   1.596   8.886  -4.031
  503    HE2  TYR  62           HE2      TYR  62  -1.891   6.756  -2.795
  504    HH   TYR  62           HH       TYR  62  -0.152   8.551  -1.494
  505    H    ASN  63           HN       ASN  63  -4.290   9.392  -7.940
  506    HA   ASN  63           HA       ASN  63  -4.109  11.520  -5.935
  507   1HB   ASN  63          HB3       ASN  63  -5.493  11.862  -7.987
  508   2HB   ASN  63          HB2       ASN  63  -6.528  10.545  -7.463
  509   1HD2  ASN  63          HD21      ASN  63  -6.241  13.804  -7.524
  510   2HD2  ASN  63          HD22      ASN  63  -6.972  14.255  -6.043
  511    H    ILE  64           HN       ILE  64  -3.923  10.678  -4.000
  512    HA   ILE  64           HA       ILE  64  -5.640   8.408  -3.279
  513    HB   ILE  64           HB       ILE  64  -3.153   8.185  -3.059
  514   1HG1  ILE  64          HG13      ILE  64  -4.924   6.905  -1.661
  515   2HG1  ILE  64          HG12      ILE  64  -3.234   6.840  -1.193
  516   1HG2  ILE  64          HG21      ILE  64  -1.889   9.353  -1.575
  517   2HG2  ILE  64          HG22      ILE  64  -3.022  10.598  -2.093
  518   3HG2  ILE  64          HG23      ILE  64  -3.267   9.774  -0.558
  519   1HD1  ILE  64          HD11      ILE  64  -4.940   8.905   0.051
  520   2HD1  ILE  64          HD12      ILE  64  -5.095   7.231   0.577
  521   3HD1  ILE  64          HD13      ILE  64  -3.539   8.046   0.683
  522    H    ARG  65           HN       ARG  65  -7.076   8.509  -1.661
  523    HA   ARG  65           HA       ARG  65  -7.233  10.931  -0.008
  524   1HB   ARG  65          HB2       ARG  65  -9.741   9.768  -1.103
  525   2HB   ARG  65          HB3       ARG  65  -9.437  11.399  -0.535
  526   1HG   ARG  65          HG3       ARG  65  -8.245  11.942  -2.548
  527   2HG   ARG  65          HG2       ARG  65  -8.371  10.277  -3.115
  528   1HD   ARG  65          HD3       ARG  65 -10.802  10.474  -3.191
  529   2HD   ARG  65          HD2       ARG  65 -10.691  12.126  -2.583
  530    HE   ARG  65           HE       ARG  65  -9.160  11.957  -4.919
  531   1HH1  ARG  65          HH12      ARG  65 -12.679  12.756  -4.132
  532   2HH1  ARG  65          HH11      ARG  65 -12.914  11.324  -5.112
  533   1HH2  ARG  65          HH21      ARG  65 -10.764  13.713  -6.639
  534   2HH2  ARG  65          HH22      ARG  65 -10.708  12.096  -7.290
  535    H    GLN  66           HN       GLN  66  -8.929  10.558   1.769
  536    HA   GLN  66           HA       GLN  66  -9.293   7.748   2.436
  537   1HB   GLN  66          HB3       GLN  66  -8.475   8.152   4.774
  538   2HB   GLN  66          HB2       GLN  66  -7.211   8.198   3.555
  539   1HG   GLN  66          HG2       GLN  66  -7.374  10.683   3.575
  540   2HG   GLN  66          HG3       GLN  66  -8.493  10.544   4.932
  541   1HE2  GLN  66          HE21      GLN  66  -6.035   8.192   4.807
  542   2HE2  GLN  66          HE22      GLN  66  -4.938   8.909   5.928
  543    H    HIS  67           HN       HIS  67 -11.344   7.445   3.116
  544    HA   HIS  67           HA       HIS  67 -12.789   9.778   4.188
  545   1HB   HIS  67          HB3       HIS  67 -13.815   7.574   2.392
  546   2HB   HIS  67          HB2       HIS  67 -14.826   8.799   3.141
  547    HD1  HIS  67           HD1      HIS  67 -14.024  11.393   2.379
  548    HD2  HIS  67           HD2      HIS  67 -13.097   8.193  -0.098
  549    HE1  HIS  67           HE1      HIS  67 -13.616  12.392   0.102
  550    HE2  HIS  67           HE2      HIS  67 -13.363  10.398  -1.426
  551    H    THR  68           HN       THR  68 -13.850   9.432   6.094
  552    HA   THR  68           HA       THR  68 -13.611   6.776   7.257
  553    HB   THR  68           HB       THR  68 -14.561   9.332   8.569
  554    HG1  THR  68           HG1      THR  68 -11.971   8.137   8.587
  555   1HG2  THR  68          HG21      THR  68 -15.070   7.967  10.257
  556   2HG2  THR  68          HG22      THR  68 -13.332   7.798  10.476
  557   3HG2  THR  68          HG23      THR  68 -14.226   6.601   9.521
  558    H    THR  69           HN       THR  69 -15.236   6.179   5.518
  559    HA   THR  69           HA       THR  69 -17.996   6.762   6.219
  560    HB   THR  69           HB       THR  69 -18.338   5.236   4.124
  561    HG1  THR  69           HG1      THR  69 -16.521   4.441   3.442
  562   1HG2  THR  69          HG21      THR  69 -18.738   7.622   4.001
  563   2HG2  THR  69          HG22      THR  69 -17.905   7.048   2.551
  564   3HG2  THR  69          HG23      THR  69 -17.009   7.915   3.801
  565    H    ASP  70           HN       ASP  70 -17.939   5.652   8.206
  566    HA   ASP  70           HA       ASP  70 -18.539   3.877   9.553
  567   1HB   ASP  70          HB3       ASP  70 -18.271   2.187   7.055
  568   2HB   ASP  70          HB2       ASP  70 -18.776   1.572   8.629
  569    H    GLU  71           HN       GLU  71 -16.178   2.825   7.141
  570    HA   GLU  71           HA       GLU  71 -14.196   2.469   9.290
  571   1HB   GLU  71          HB2       GLU  71 -14.379   0.798   6.763
  572   2HB   GLU  71          HB3       GLU  71 -13.113   0.686   7.976
  573   1HG   GLU  71          HG2       GLU  71 -14.434  -1.128   8.449
  574   2HG   GLU  71          HG3       GLU  71 -15.023   0.079   9.591
  575    H    ASP  72           HN       ASP  72 -12.103   3.196   8.715
  576    HA   ASP  72           HA       ASP  72 -12.035   5.381   6.942
  577   1HB   ASP  72          HB2       ASP  72  -9.846   3.823   8.307
  578   2HB   ASP  72          HB3       ASP  72  -9.515   5.211   7.274
  579    H    THR  73           HN       THR  73 -11.992   5.372   4.864
  580    HA   THR  73           HA       THR  73 -10.976   3.009   3.448
  581    HB   THR  73           HB       THR  73 -12.954   5.098   2.541
  582    HG1  THR  73           HG1      THR  73 -13.723   3.898   4.316
  583   1HG2  THR  73          HG21      THR  73 -11.939   2.605   1.303
  584   2HG2  THR  73          HG22      THR  73 -12.403   4.130   0.567
  585   3HG2  THR  73          HG23      THR  73 -13.641   3.004   1.108
  586    H    ILE  74           HN       ILE  74  -9.035   3.350   2.631
  587    HA   ILE  74           HA       ILE  74  -8.322   6.031   1.699
  588    HB   ILE  74           HB       ILE  74  -6.659   3.599   2.358
  589   1HG1  ILE  74          HG13      ILE  74  -5.407   5.289   3.738
  590   2HG1  ILE  74          HG12      ILE  74  -6.668   6.450   3.352
  591   1HG2  ILE  74          HG21      ILE  74  -5.848   5.995   0.751
  592   2HG2  ILE  74          HG22      ILE  74  -4.678   5.069   1.704
  593   3HG2  ILE  74          HG23      ILE  74  -5.583   4.286   0.401
  594   1HD1  ILE  74          HD11      ILE  74  -8.264   4.710   4.363
  595   2HD1  ILE  74          HD12      ILE  74  -6.802   4.015   5.063
  596   3HD1  ILE  74          HD13      ILE  74  -7.252   5.677   5.438
  597    H    VAL  75           HN       VAL  75  -8.935   6.367  -0.286
  598    HA   VAL  75           HA       VAL  75  -9.001   4.167  -2.202
  599    HB   VAL  75           HB       VAL  75 -10.340   5.661  -3.603
  600   1HG1  VAL  75          HG11      VAL  75 -11.110   5.002  -0.817
  601   2HG1  VAL  75          HG12      VAL  75 -12.211   6.021  -1.754
  602   3HG1  VAL  75          HG13      VAL  75 -11.775   4.416  -2.346
  603   1HG2  VAL  75          HG21      VAL  75 -11.020   7.838  -2.915
  604   2HG2  VAL  75          HG22      VAL  75 -10.244   7.641  -1.340
  605   3HG2  VAL  75          HG23      VAL  75  -9.251   7.768  -2.789
  606    H    LEU  76           HN       LEU  76  -8.041   4.366  -4.248
  607    HA   LEU  76           HA       LEU  76  -6.048   6.503  -4.448
  608   1HB   LEU  76          HB2       LEU  76  -5.576   3.543  -4.827
  609   2HB   LEU  76          HB3       LEU  76  -4.427   4.783  -5.313
  610    HG   LEU  76           HG       LEU  76  -4.663   5.481  -2.759
  611   1HD1  LEU  76          HD11      LEU  76  -4.611   2.964  -1.714
  612   2HD1  LEU  76          HD12      LEU  76  -5.983   4.058  -1.648
  613   3HD1  LEU  76          HD13      LEU  76  -5.895   2.836  -2.914
  614   1HD2  LEU  76          HD21      LEU  76  -2.513   5.038  -3.110
  615   2HD2  LEU  76          HD22      LEU  76  -2.870   3.395  -2.550
  616   3HD2  LEU  76          HD23      LEU  76  -2.889   3.758  -4.279
  617    H    GLN  77           HN       GLN  77  -6.437   7.615  -6.222
  618    HA   GLN  77           HA       GLN  77  -7.676   6.339  -8.528
  619   1HB   GLN  77          HB3       GLN  77  -7.078   9.211  -7.822
  620   2HB   GLN  77          HB2       GLN  77  -7.708   8.716  -9.388
  621   1HG   GLN  77          HG2       GLN  77  -9.642   7.679  -8.142
  622   2HG   GLN  77          HG3       GLN  77  -9.045   8.513  -6.711
  623   1HE2  GLN  77          HE21      GLN  77 -11.056   8.705  -9.336
  624   2HE2  GLN  77          HE22      GLN  77 -11.259  10.425  -9.436
  625    HA   PRO  78           HA       PRO  78  -3.573   5.833 -10.166
  626   1HB   PRO  78          HB2       PRO  78  -4.281   4.644 -12.459
  627   2HB   PRO  78          HB3       PRO  78  -4.414   3.831 -10.890
  628   1HG   PRO  78          HG3       PRO  78  -6.541   5.265 -12.468
  629   2HG   PRO  78          HG2       PRO  78  -6.609   3.629 -11.686
  630   1HD   PRO  78          HD2       PRO  78  -7.652   5.834 -10.516
  631   2HD   PRO  78          HD3       PRO  78  -6.891   4.537  -9.587
  632    H    GLN  79           HN       GLN  79  -2.260   6.413 -11.798
  633    HA   GLN  79           HA       GLN  79  -3.087   8.731 -13.398
  634   1HB   GLN  79          HB3       GLN  79  -0.710   9.143 -13.686
  635   2HB   GLN  79          HB2       GLN  79  -1.029   8.895 -11.969
  636   1HG   GLN  79          HG3       GLN  79  -0.258   6.588 -12.160
  637   2HG   GLN  79          HG2       GLN  79   0.054   6.833 -13.876
  638   1HE2  GLN  79          HE21      GLN  79   2.028   7.345 -14.405
  639   2HE2  GLN  79          HE22      GLN  79   3.157   8.208 -13.438
  640    H    GLU  80           HN       GLU  80  -3.422   5.722 -13.565
  641    HA   GLU  80           HA       GLU  80  -3.482   4.019 -14.900
  642   1HB   GLU  80          HB2       GLU  80  -4.446   4.369 -17.012
  643   2HB   GLU  80          HB3       GLU  80  -5.133   5.491 -15.857
  644   1HG   GLU  80          HG2       GLU  80  -3.976   7.331 -16.786
  645   2HG   GLU  80          HG3       GLU  80  -2.976   6.281 -17.790
  646    HA   PRO  81           HA       PRO  81   0.696   3.962 -16.884
  647   1HB   PRO  81          HB3       PRO  81   2.289   3.293 -14.871
  648   2HB   PRO  81          HB2       PRO  81   1.764   4.969 -15.011
  649   1HG   PRO  81          HG2       PRO  81   0.802   2.818 -13.170
  650   2HG   PRO  81          HG3       PRO  81   1.014   4.554 -12.857
  651   1HD   PRO  81          HD2       PRO  81  -1.394   3.250 -13.526
  652   2HD   PRO  81          HD3       PRO  81  -1.112   5.002 -13.500
  653    H    GLY  82           HN       GLY  82  -1.627   2.222 -16.374
  654   1HA   GLY  82          HA1       GLY  82  -1.944  -0.062 -16.957
  655   2HA   GLY  82          HA2       GLY  82  -0.284  -0.386 -16.458
  656    H    LEU  83           HN       LEU  83  -2.243   1.668 -14.584
  657    HA   LEU  83           HA       LEU  83  -2.460  -0.333 -12.446
  658   1HB   LEU  83          HB3       LEU  83  -0.915   1.480 -11.958
  659   2HB   LEU  83          HB2       LEU  83  -2.132   2.665 -12.382
  660    HG   LEU  83           HG       LEU  83  -3.458   1.681 -10.379
  661   1HD1  LEU  83          HD11      LEU  83  -0.721   0.999  -9.388
  662   2HD1  LEU  83          HD12      LEU  83  -2.303   0.522  -8.746
  663   3HD1  LEU  83          HD13      LEU  83  -1.696  -0.207 -10.235
  664   1HD2  LEU  83          HD21      LEU  83  -2.719   3.465  -9.146
  665   2HD2  LEU  83          HD22      LEU  83  -1.014   3.163  -9.530
  666   3HD2  LEU  83          HD23      LEU  83  -2.070   3.898 -10.744
  667    HA   PRO  84           HA       PRO  84  -6.826   0.530 -12.739
  668   1HB   PRO  84          HB2       PRO  84  -7.651  -1.296 -10.981
  669   2HB   PRO  84          HB3       PRO  84  -6.876  -1.788 -12.491
  670   1HG   PRO  84          HG3       PRO  84  -5.772  -1.730  -9.724
  671   2HG   PRO  84          HG2       PRO  84  -5.433  -2.863 -11.053
  672   1HD   PRO  84          HD3       PRO  84  -3.880  -0.629 -10.283
  673   2HD   PRO  84          HD2       PRO  84  -3.680  -1.618 -11.742
  674    H    SER  85           HN       SER  85  -8.672   0.813 -11.017
  675    HA   SER  85           HA       SER  85  -7.685   2.651  -8.932
  676   1HB   SER  85          HB2       SER  85 -10.534   2.458  -9.932
  677   2HB   SER  85          HB3       SER  85  -9.783   3.771  -9.028
  678    HG   SER  85           HG       SER  85  -9.519   3.100 -11.742
  679    H    PHE  86           HN       PHE  86  -7.552   1.555  -6.974
  680    HA   PHE  86           HA       PHE  86  -9.788  -0.247  -6.381
  681   1HB   PHE  86          HB2       PHE  86  -8.376  -1.794  -5.339
  682   2HB   PHE  86          HB3       PHE  86  -7.512  -1.342  -6.806
  683    HD1  PHE  86           HD1      PHE  86  -5.889   0.862  -6.332
  684    HD2  PHE  86           HD2      PHE  86  -7.089  -2.108  -3.518
  685    HE1  PHE  86           HE1      PHE  86  -3.903   1.344  -4.972
  686    HE2  PHE  86           HE2      PHE  86  -5.097  -1.621  -2.159
  687    HZ   PHE  86           HZ       PHE  86  -3.502   0.101  -2.888
  688    H    ARG  87           HN       ARG  87  -9.709  -0.743  -3.860
  689    HA   ARG  87           HA       ARG  87  -9.336   1.784  -2.393
  690   1HB   ARG  87          HB2       ARG  87 -11.832   0.070  -2.338
  691   2HB   ARG  87          HB3       ARG  87 -11.554   1.487  -1.341
  692   1HG   ARG  87          HG3       ARG  87 -12.890   2.350  -2.977
  693   2HG   ARG  87          HG2       ARG  87 -11.295   2.682  -3.660
  694   1HD   ARG  87          HD2       ARG  87 -11.506   0.458  -4.858
  695   2HD   ARG  87          HD3       ARG  87 -13.201   0.465  -4.374
  696    HE   ARG  87           HE       ARG  87 -12.112   1.819  -6.559
  697   1HH1  ARG  87          HH12      ARG  87 -14.410   2.884  -3.899
  698   2HH1  ARG  87          HH11      ARG  87 -15.595   2.708  -5.168
  699   1HH2  ARG  87          HH22      ARG  87 -13.782   3.072  -7.790
  700   2HH2  ARG  87          HH21      ARG  87 -13.830   4.530  -6.845
  701    H    ILE  88           HN       ILE  88  -8.805   1.491  -0.184
  702    HA   ILE  88           HA       ILE  88  -8.724  -1.316   0.683
  703    HB   ILE  88           HB       ILE  88  -6.745  -0.593   2.172
  704   1HG1  ILE  88          HG13      ILE  88  -6.445   1.406  -0.079
  705   2HG1  ILE  88          HG12      ILE  88  -6.886   1.814   1.577
  706   1HG2  ILE  88          HG21      ILE  88  -5.247  -1.506   0.607
  707   2HG2  ILE  88          HG22      ILE  88  -6.824  -2.221   0.243
  708   3HG2  ILE  88          HG23      ILE  88  -6.187  -0.912  -0.762
  709   1HD1  ILE  88          HD11      ILE  88  -4.702   0.785   2.283
  710   2HD1  ILE  88          HD12      ILE  88  -4.273   0.738   0.574
  711   3HD1  ILE  88          HD13      ILE  88  -4.598   2.280   1.366
  712    H    LYS  89           HN       LYS  89  -9.759  -1.794   2.432
  713    HA   LYS  89           HA       LYS  89 -10.255   0.256   4.481
  714   1HB   LYS  89          HB2       LYS  89 -12.301  -1.752   3.489
  715   2HB   LYS  89          HB3       LYS  89 -12.521  -0.645   4.839
  716   1HG   LYS  89          HG3       LYS  89 -12.250   1.238   3.208
  717   2HG   LYS  89          HG2       LYS  89 -12.320   0.032   1.922
  718   1HD   LYS  89          HD2       LYS  89 -14.512   1.015   2.258
  719   2HD   LYS  89          HD3       LYS  89 -14.535  -0.684   2.736
  720   1HE   LYS  89          HE3       LYS  89 -14.453  -0.105   5.054
  721   2HE   LYS  89          HE2       LYS  89 -14.172   1.597   4.671
  722   1HZ   LYS  89          HZ1       LYS  89 -16.573   0.465   3.516
  723   2HZ   LYS  89          HZ2       LYS  89 -16.338   1.953   4.288
  724   3HZ   LYS  89          HZ3       LYS  89 -16.570   0.551   5.225
  725    HA   PRO  90           HA       PRO  90  -8.651  -3.222   6.875
  726   1HB   PRO  90          HB3       PRO  90  -8.958  -1.386   9.146
  727   2HB   PRO  90          HB2       PRO  90  -7.479  -2.091   8.489
  728   1HG   PRO  90          HG2       PRO  90  -7.998   0.521   8.227
  729   2HG   PRO  90          HG3       PRO  90  -7.206  -0.390   6.929
  730   1HD   PRO  90          HD3       PRO  90 -10.109   0.371   7.195
  731   2HD   PRO  90          HD2       PRO  90  -9.029   0.556   5.793
  732    H    LYS  91           HN       LYS  91 -11.051  -3.720   6.218
  733    HA   LYS  91           HA       LYS  91 -12.779  -3.730   8.593
  734   1HB   LYS  91          HB2       LYS  91 -13.576  -2.514   6.587
  735   2HB   LYS  91          HB3       LYS  91 -13.497  -4.003   5.664
  736   1HG   LYS  91          HG2       LYS  91 -15.196  -3.850   8.111
  737   2HG   LYS  91          HG3       LYS  91 -15.760  -3.157   6.594
  738   1HD   LYS  91          HD2       LYS  91 -15.292  -5.415   5.541
  739   2HD   LYS  91          HD3       LYS  91 -15.070  -6.033   7.175
  740   1HE   LYS  91          HE3       LYS  91 -17.358  -5.223   7.730
  741   2HE   LYS  91          HE2       LYS  91 -17.565  -4.776   6.042
  742   1HZ   LYS  91          HZ1       LYS  91 -17.324  -7.066   5.402
  743   2HZ   LYS  91          HZ2       LYS  91 -18.536  -6.950   6.578
  744   3HZ   LYS  91          HZ3       LYS  91 -16.997  -7.526   7.000
  745    H    ASP  92           HN       ASP  92 -12.279  -5.792   5.691
  746    HA   ASP  92           HA       ASP  92 -13.183  -8.113   7.151
  747   1HB   ASP  92          HB3       ASP  92 -13.554  -7.542   4.632
  748   2HB   ASP  92          HB2       ASP  92 -11.957  -8.247   4.420
  749    H    PHE  93           HN       PHE  93 -11.034  -7.276   8.481
  750    HA   PHE  93           HA       PHE  93  -9.356  -9.535   8.496
  751   1HB   PHE  93          HB2       PHE  93  -8.472  -8.212   6.480
  752   2HB   PHE  93          HB3       PHE  93  -7.891  -7.031   7.649
  753    HD1  PHE  93           HD1      PHE  93  -6.218  -7.779   9.384
  754    HD2  PHE  93           HD2      PHE  93  -7.294 -10.158   6.030
  755    HE1  PHE  93           HE1      PHE  93  -4.173  -9.116   9.684
  756    HE2  PHE  93           HE2      PHE  93  -5.256 -11.502   6.316
  757    HZ   PHE  93           HZ       PHE  93  -3.688 -10.982   8.146
  758    H    GLU  94           HN       GLU  94  -9.248  -9.767  10.592
  759    HA   GLU  94           HA       GLU  94  -9.476  -7.593  12.424
  760   1HB   GLU  94          HB2       GLU  94  -9.127  -9.380  14.142
  761   2HB   GLU  94          HB3       GLU  94 -10.450  -9.689  13.026
  762   1HG   GLU  94          HG3       GLU  94  -8.930 -11.147  11.715
  763   2HG   GLU  94          HG2       GLU  94  -7.702 -10.916  12.960
  764    H    THR  95           HN       THR  95  -7.994  -7.147  14.134
  765    HA   THR  95           HA       THR  95  -6.007  -6.640  15.065
  766    HB   THR  95           HB       THR  95  -4.537  -8.361  13.063
  767    HG1  THR  95           HG1      THR  95  -5.781  -9.173  15.491
  768   1HG2  THR  95          HG21      THR  95  -3.457  -8.727  15.575
  769   2HG2  THR  95          HG22      THR  95  -3.819  -7.001  15.521
  770   3HG2  THR  95          HG23      THR  95  -2.791  -7.714  14.289
  771    H    SER  96           HN       SER  96  -7.124  -5.826  12.230
  772    HA   SER  96           HA       SER  96  -4.881  -4.048  11.588
  773   1HB   SER  96          HB3       SER  96  -7.117  -5.110   9.859
  774   2HB   SER  96          HB2       SER  96  -6.117  -3.744   9.365
  775    HG   SER  96           HG       SER  96  -4.582  -5.085   8.873
  776    H    GLU  97           HN       GLU  97  -7.465  -4.007  13.458
  777    HA   GLU  97           HA       GLU  97  -8.872  -1.647  12.690
  778   1HB   GLU  97          HB2       GLU  97  -8.525  -2.765  15.486
  779   2HB   GLU  97          HB3       GLU  97  -9.719  -1.582  14.987
  780   1HG   GLU  97          HG2       GLU  97 -10.977  -3.481  15.066
  781   2HG   GLU  97          HG3       GLU  97 -10.515  -3.442  13.367
  782    H    TYR  98           HN       TYR  98  -6.389  -2.304  15.109
  783    HA   TYR  98           HA       TYR  98  -5.876   0.359  15.853
  784   1HB   TYR  98          HB3       TYR  98  -5.112  -1.598  17.159
  785   2HB   TYR  98          HB2       TYR  98  -3.982  -2.003  15.869
  786    HD1  TYR  98           HD1      TYR  98  -4.858   0.961  17.979
  787    HD2  TYR  98           HD2      TYR  98  -1.802  -1.378  16.166
  788    HE1  TYR  98           HE1      TYR  98  -3.151   2.417  18.986
  789    HE2  TYR  98           HE2      TYR  98  -0.091   0.067  17.173
  790    HH   TYR  98           HH       TYR  98   0.133   2.317  18.043
  791    H    VAL  99           HN       VAL  99  -4.277  -1.771  13.501
  792    HA   VAL  99           HA       VAL  99  -2.307  -0.017  12.633
  793    HB   VAL  99           HB       VAL  99  -3.676  -2.066  10.890
  794   1HG1  VAL  99          HG21      VAL  99  -0.770  -1.844  10.833
  795   2HG1  VAL  99          HG22      VAL  99  -1.934  -1.854   9.509
  796   3HG1  VAL  99          HG23      VAL  99  -1.596  -0.356  10.369
  797   1HG2  VAL  99          HG11      VAL  99  -3.279  -3.422  12.682
  798   2HG2  VAL  99          HG12      VAL  99  -1.697  -3.506  11.906
  799   3HG2  VAL  99          HG13      VAL  99  -1.947  -2.432  13.281
  800    H    ARG 100           HN       ARG 100  -5.689  -0.222  11.836
  801    HA   ARG 100           HA       ARG 100  -5.746   1.225   9.432
  802   1HB   ARG 100          HB3       ARG 100  -7.723   0.106  10.044
  803   2HB   ARG 100          HB2       ARG 100  -7.735   0.822  11.650
  804   1HG   ARG 100          HG2       ARG 100  -8.191   3.020  10.601
  805   2HG   ARG 100          HG3       ARG 100  -8.327   2.205   9.047
  806   1HD   ARG 100          HD3       ARG 100 -10.506   2.653  10.247
  807   2HD   ARG 100          HD2       ARG 100 -10.232   0.990   9.724
  808    HE   ARG 100           HE       ARG 100  -9.312   1.068  12.299
  809   1HH1  ARG 100          HH12      ARG 100 -12.305   2.769  11.624
  810   2HH1  ARG 100          HH11      ARG 100 -13.255   1.314  11.784
  811   1HH2  ARG 100          HH22      ARG 100 -11.195   1.256  14.350
  812   2HH2  ARG 100          HH21      ARG 100 -11.876  -0.215  13.718
  813    H    LYS 101           HN       LYS 101  -5.757   2.236  12.791
  814    HA   LYS 101           HA       LYS 101  -6.202   4.983  12.336
  815   1HB   LYS 101          HB3       LYS 101  -4.806   3.564  14.607
  816   2HB   LYS 101          HB2       LYS 101  -5.238   5.272  14.616
  817   1HG   LYS 101          HG2       LYS 101  -7.597   4.667  14.381
  818   2HG   LYS 101          HG3       LYS 101  -7.151   2.960  14.417
  819   1HD   LYS 101          HD2       LYS 101  -6.205   3.275  16.666
  820   2HD   LYS 101          HD3       LYS 101  -6.712   4.966  16.624
  821   1HE   LYS 101          HE2       LYS 101  -9.033   4.294  16.437
  822   2HE   LYS 101          HE3       LYS 101  -8.561   2.596  16.396
  823   1HZ   LYS 101          HZ1       LYS 101  -7.429   3.246  18.659
  824   2HZ   LYS 101          HZ2       LYS 101  -9.080   2.833  18.584
  825   3HZ   LYS 101          HZ3       LYS 101  -8.612   4.466  18.650
  826    H    ALA 102           HN       ALA 102  -3.283   3.031  12.454
  827    HA   ALA 102           HA       ALA 102  -1.436   5.178  12.364
  828   1HB   ALA 102          HB1       ALA 102  -1.123   2.318  11.452
  829   2HB   ALA 102          HB2       ALA 102   0.193   3.483  11.616
  830   3HB   ALA 102          HB3       ALA 102  -0.703   2.969  13.036
  831    H    TRP 103           HN       TRP 103  -1.995   2.826   9.800
  832    HA   TRP 103           HA       TRP 103  -0.946   4.061   7.674
  833   1HB   TRP 103          HB3       TRP 103  -3.417   2.356   7.788
  834   2HB   TRP 103          HB2       TRP 103  -2.790   2.954   6.266
  835    HD1  TRP 103           HD1      TRP 103  -1.325   1.033   9.313
  836    HE1  TRP 103           HE1      TRP 103   0.316  -0.738   8.414
  837    HE3  TRP 103           HE3      TRP 103  -1.685   2.021   4.312
  838    HZ2  TRP 103           HZ2      TRP 103   1.317  -1.581   5.923
  839    HZ3  TRP 103           HZ3      TRP 103  -0.319   0.681   2.762
  840    HH2  TRP 103           HH2      TRP 103   1.131  -1.077   3.557
  841    H    LEU 104           HN       LEU 104  -4.182   4.797   8.940
  842    HA   LEU 104           HA       LEU 104  -5.074   6.510   6.956
  843   1HB   LEU 104          HB2       LEU 104  -6.223   5.649   9.072
  844   2HB   LEU 104          HB3       LEU 104  -5.423   6.973   9.887
  845    HG   LEU 104           HG       LEU 104  -6.573   8.527   8.267
  846   1HD1  LEU 104          HD11      LEU 104  -7.431   7.475   6.501
  847   2HD1  LEU 104          HD12      LEU 104  -7.439   5.917   7.337
  848   3HD1  LEU 104          HD13      LEU 104  -8.770   7.051   7.569
  849   1HD2  LEU 104          HD21      LEU 104  -8.860   7.391   9.548
  850   2HD2  LEU 104          HD22      LEU 104  -7.474   7.263  10.624
  851   3HD2  LEU 104          HD23      LEU 104  -7.951   8.840   9.981
  852    H    ARG 105           HN       ARG 105  -3.593   7.363   9.991
  853    HA   ARG 105           HA       ARG 105  -3.076  10.068   9.332
  854   1HB   ARG 105          HB3       ARG 105  -3.249   9.398  11.646
  855   2HB   ARG 105          HB2       ARG 105  -1.853   8.339  11.484
  856   1HG   ARG 105          HG3       ARG 105  -0.586  10.476  10.815
  857   2HG   ARG 105          HG2       ARG 105  -1.965  11.333  11.510
  858   1HD   ARG 105          HD2       ARG 105  -1.561  10.447  13.655
  859   2HD   ARG 105          HD3       ARG 105  -0.425   9.247  13.028
  860    HE   ARG 105           HE       ARG 105   0.458  11.869  12.403
  861   1HH1  ARG 105          HH11      ARG 105   0.023  10.603  15.757
  862   2HH1  ARG 105          HH12      ARG 105   1.353   9.554  15.339
  863   1HH2  ARG 105          HH21      ARG 105   2.060  12.915  13.719
  864   2HH2  ARG 105          HH22      ARG 105   3.049  11.706  14.454
  865    H    ASP 106           HN       ASP 106  -1.105   7.162   9.071
  866    HA   ASP 106           HA       ASP 106   1.351   8.474   8.496
  867   1HB   ASP 106          HB3       ASP 106   0.674   5.889   9.013
  868   2HB   ASP 106          HB2       ASP 106   0.943   5.820   7.278
  869    H    ILE 107           HN       ILE 107  -1.470   8.189   6.778
  870    HA   ILE 107           HA       ILE 107  -0.176   8.441   4.158
  871    HB   ILE 107           HB       ILE 107  -2.933   7.659   5.023
  872   1HG1  ILE 107          HG12      ILE 107  -0.997   6.460   3.031
  873   2HG1  ILE 107          HG13      ILE 107  -1.150   5.954   4.713
  874   1HG2  ILE 107          HG21      ILE 107  -3.588   9.137   3.406
  875   2HG2  ILE 107          HG22      ILE 107  -2.123   8.921   2.458
  876   3HG2  ILE 107          HG23      ILE 107  -3.373   7.669   2.461
  877   1HD1  ILE 107          HD11      ILE 107  -3.138   5.636   2.486
  878   2HD1  ILE 107          HD12      ILE 107  -2.354   4.384   3.447
  879   3HD1  ILE 107          HD13      ILE 107  -3.570   5.430   4.192
  880    H    ALA 108           HN       ALA 108  -2.112  10.076   6.534
  881    HA   ALA 108           HA       ALA 108  -2.832  12.334   4.906
  882   1HB   ALA 108          HB1       ALA 108  -4.289  12.141   6.669
  883   2HB   ALA 108          HB2       ALA 108  -3.042  11.604   7.785
  884   3HB   ALA 108          HB3       ALA 108  -3.154  13.307   7.345
  885    H    GLU 109           HN       GLU 109  -0.102  11.184   6.341
  886    HA   GLU 109           HA       GLU 109   1.546  13.360   5.601
  887   1HB   GLU 109          HB3       GLU 109   2.525  13.557   7.991
  888   2HB   GLU 109          HB2       GLU 109   1.065  14.461   7.608
  889   1HG   GLU 109          HG3       GLU 109  -0.297  12.873   8.775
  890   2HG   GLU 109          HG2       GLU 109   1.087  11.806   9.028
  891    H    GLU 110           HN       GLU 110   2.345  11.664   4.383
  892    HA   GLU 110           HA       GLU 110   3.123   9.196   5.387
  893   1HB   GLU 110          HB2       GLU 110   4.418   8.921   3.321
  894   2HB   GLU 110          HB3       GLU 110   2.796   9.519   3.018
  895   1HG   GLU 110          HG3       GLU 110   5.122  11.401   3.189
  896   2HG   GLU 110          HG2       GLU 110   4.787  10.506   1.708
  897    H    GLN 111           HN       GLN 111   4.765   8.423   6.365
  898    HA   GLN 111           HA       GLN 111   6.417   9.938   7.953
  899   1HB   GLN 111          HB2       GLN 111   5.721   7.499   8.137
  900   2HB   GLN 111          HB3       GLN 111   7.052   7.147   7.041
  901   1HG   GLN 111          HG2       GLN 111   8.641   8.023   8.618
  902   2HG   GLN 111          HG3       GLN 111   7.338   8.503   9.702
  903   1HE2  GLN 111          HE21      GLN 111   6.112   5.822   8.574
  904   2HE2  GLN 111          HE22      GLN 111   6.667   4.712   9.775
  905    H    GLU 112           HN       GLU 112   6.924   9.224   4.628
  906    HA   GLU 112           HA       GLU 112   9.734   9.181   4.650
  907   1HB   GLU 112          HB2       GLU 112   7.688   9.563   2.534
  908   2HB   GLU 112          HB3       GLU 112   9.361   9.957   2.169
  909   1HG   GLU 112          HG2       GLU 112   8.234   7.309   3.033
  910   2HG   GLU 112          HG3       GLU 112   9.004   7.712   1.501
  911    H    LYS 113           HN       LYS 113   7.792  11.736   5.479
  912    HA   LYS 113           HA       LYS 113   9.251  13.899   4.307
  913   1HB   LYS 113          HB3       LYS 113   7.645  13.902   6.873
  914   2HB   LYS 113          HB2       LYS 113   8.124  15.312   5.937
  915   1HG   LYS 113          HG2       LYS 113   6.085  13.225   5.258
  916   2HG   LYS 113          HG3       LYS 113   5.869  14.969   5.429
  917   1HD   LYS 113          HD3       LYS 113   7.277  15.315   3.440
  918   2HD   LYS 113          HD2       LYS 113   7.437  13.567   3.286
  919   1HE   LYS 113          HE3       LYS 113   5.686  14.768   1.833
  920   2HE   LYS 113          HE2       LYS 113   5.232  13.275   2.653
  921   1HZ   LYS 113          HZ1       LYS 113   4.065  15.842   2.881
  922   2HZ   LYS 113          HZ2       LYS 113   4.628  15.352   4.401
  923   3HZ   LYS 113          HZ3       LYS 113   3.549  14.367   3.547
  924    H    TYR 114           HN       TYR 114   9.773  11.710   6.865
  925    HA   TYR 114           HA       TYR 114  11.412  13.262   8.551
  926   1HB   TYR 114          HB3       TYR 114  10.315  11.071   9.146
  927   2HB   TYR 114          HB2       TYR 114  11.558  10.265   8.190
  928    HD1  TYR 114           HD1      TYR 114  11.352  12.873  10.848
  929    HD2  TYR 114           HD2      TYR 114  13.356   9.421   9.378
  930    HE1  TYR 114           HE1      TYR 114  12.859  12.931  12.784
  931    HE2  TYR 114           HE2      TYR 114  14.871   9.474  11.313
  932    HH   TYR 114           HH       TYR 114  14.398  10.787  13.992
  933    H    ALA 115           HN       ALA 115  12.159  11.193   5.770
  934    HA   ALA 115           HA       ALA 115  14.875  12.331   5.842
  935   1HB   ALA 115          HB1       ALA 115  15.023  10.038   6.557
  936   2HB   ALA 115          HB2       ALA 115  14.136   9.501   5.128
  937   3HB   ALA 115          HB3       ALA 115  15.738  10.204   4.956
  938    H    ALA 116           HN       ALA 116  12.452  10.787   3.746
  939    HA   ALA 116           HA       ALA 116  11.894  11.082   1.568
  940   1HB   ALA 116          HB1       ALA 116  12.307  13.634   2.568
  941   2HB   ALA 116          HB2       ALA 116  13.225  13.607   1.058
  942   3HB   ALA 116          HB3       ALA 116  11.510  13.219   1.052
  943    H    GLU 117           HN       GLU 117  14.513  13.121   0.702
  944    HA   GLU 117           HA       GLU 117  15.867  10.807  -0.498
  945   1HB   GLU 117          HB3       GLU 117  15.435  13.588  -1.511
  946   2HB   GLU 117          HB2       GLU 117  16.857  12.693  -2.028
  947   1HG   GLU 117          HG3       GLU 117  15.361  10.873  -2.809
  948   2HG   GLU 117          HG2       GLU 117  13.982  11.903  -2.423
  949    H    ARG 118           HN       ARG 118  17.946  10.467  -0.104
  950    HA   ARG 118           HA       ARG 118  19.233  12.163   1.893
  951   1HB   ARG 118          HB3       ARG 118  19.022   9.615   2.098
  952   2HB   ARG 118          HB2       ARG 118  20.247   9.532   0.836
  953   1HG   ARG 118          HG2       ARG 118  21.694  10.967   2.330
  954   2HG   ARG 118          HG3       ARG 118  20.514  10.640   3.609
  955   1HD   ARG 118          HD2       ARG 118  20.873   8.206   3.216
  956   2HD   ARG 118          HD3       ARG 118  22.172   8.630   2.094
  957    HE   ARG 118           HE       ARG 118  22.435   9.786   4.727
  958   1HH1  ARG 118          HH12      ARG 118  24.550   7.927   2.597
  959   2HH1  ARG 118          HH11      ARG 118  23.683   6.525   3.142
  960   1HH2  ARG 118          HH21      ARG 118  23.807   8.319   6.319
  961   2HH2  ARG 118          HH22      ARG 118  25.226   8.599   5.349
  962    H    ASP 119           HN       ASP 119  21.628  12.467   1.632
  963    HA   ASP 119           HA       ASP 119  22.572  12.580  -1.107
  964   1HB   ASP 119          HB2       ASP 119  23.205  14.995  -0.844
  965   2HB   ASP 119          HB3       ASP 119  21.461  14.706  -0.934
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1  27.291  -8.756  -1.307
    2   2H    MET   1          HT2       MET   1  28.161  -8.549   0.158
    3   3H    MET   1          HT3       MET   1  26.817  -7.531  -0.209
    4    HA   MET   1           HA       MET   1  25.561  -9.732  -0.343
    5   1HB   MET   1          HB2       MET   1  27.584 -11.092  -0.058
    6   2HB   MET   1          HB3       MET   1  27.852 -10.363   1.521
    7   1HG   MET   1          HG2       MET   1  25.762 -11.334   2.330
    8   2HG   MET   1          HG3       MET   1  25.457 -12.017   0.734
    9   1HE   MET   1          HE1       MET   1  25.187 -14.502   2.262
   10   2HE   MET   1          HE2       MET   1  26.444 -14.893   3.433
   11   3HE   MET   1          HE3       MET   1  25.505 -13.399   3.597
   12    H    GLY   2           HN       GLY   2  23.832  -9.284   0.883
   13   1HA   GLY   2          HA1       GLY   2  24.202  -8.284   3.623
   14   2HA   GLY   2          HA2       GLY   2  23.290  -7.270   2.507
   15    H    ASP   3           HN       ASP   3  23.429 -10.742   3.339
   16    HA   ASP   3           HA       ASP   3  20.539 -10.889   3.008
   17   1HB   ASP   3          HB3       ASP   3  22.666 -12.982   3.427
   18   2HB   ASP   3          HB2       ASP   3  20.946 -13.368   3.428
   19    H    THR   4           HN       THR   4  19.720  -9.854   4.751
   20    HA   THR   4           HA       THR   4  19.969 -11.355   7.248
   21    HB   THR   4           HB       THR   4  19.830  -9.178   8.501
   22    HG1  THR   4           HG1      THR   4  20.093  -7.322   7.459
   23   1HG2  THR   4          HG21      THR   4  21.974  -9.489   8.880
   24   2HG2  THR   4          HG22      THR   4  22.353  -8.640   7.383
   25   3HG2  THR   4          HG23      THR   4  22.142 -10.397   7.387
   26    H    GLY   5           HN       GLY   5  18.201  -8.809   5.508
   27   1HA   GLY   5          HA2       GLY   5  15.927  -8.442   5.296
   28   2HA   GLY   5          HA1       GLY   5  15.687 -10.109   5.790
   29    H    LYS   6           HN       LYS   6  17.286  -7.676   7.737
   30    HA   LYS   6           HA       LYS   6  15.063  -7.883   9.657
   31   1HB   LYS   6          HB3       LYS   6  17.953  -7.164  10.197
   32   2HB   LYS   6          HB2       LYS   6  16.679  -7.369  11.393
   33   1HG   LYS   6          HG3       LYS   6  16.485  -9.702  10.860
   34   2HG   LYS   6          HG2       LYS   6  17.689  -9.548   9.583
   35   1HD   LYS   6          HD3       LYS   6  19.382  -8.944  11.270
   36   2HD   LYS   6          HD2       LYS   6  18.157  -9.088  12.537
   37   1HE   LYS   6          HE2       LYS   6  17.845 -11.459  11.961
   38   2HE   LYS   6          HE3       LYS   6  19.065 -11.315  10.695
   39   1HZ   LYS   6          HZ1       LYS   6  19.365 -11.477  13.586
   40   2HZ   LYS   6          HZ2       LYS   6  20.468 -10.481  12.766
   41   3HZ   LYS   6          HZ3       LYS   6  20.336 -12.122  12.354
   42    H    LEU   7           HN       LEU   7  17.459  -5.615   8.349
   43    HA   LEU   7           HA       LEU   7  15.790  -3.379   9.258
   44   1HB   LEU   7          HB2       LEU   7  18.140  -3.327   9.962
   45   2HB   LEU   7          HB3       LEU   7  18.662  -3.398   8.288
   46    HG   LEU   7           HG       LEU   7  17.472  -1.168   7.938
   47   1HD1  LEU   7          HD11      LEU   7  16.523   0.004   9.667
   48   2HD1  LEU   7          HD12      LEU   7  16.135  -1.642  10.152
   49   3HD1  LEU   7          HD13      LEU   7  17.511  -0.801  10.885
   50   1HD2  LEU   7          HD21      LEU   7  19.820  -1.486   9.760
   51   2HD2  LEU   7          HD22      LEU   7  19.772  -0.985   8.076
   52   3HD2  LEU   7          HD23      LEU   7  19.208   0.116   9.339
   53    H    GLY   8           HN       GLY   8  14.326  -2.852   7.736
   54   1HA   GLY   8          HA1       GLY   8  14.748  -1.488   5.467
   55   2HA   GLY   8          HA2       GLY   8  14.901  -3.145   4.897
   56    H    ARG   9           HN       ARG   9  12.694  -2.123   7.467
   57    HA   ARG   9           HA       ARG   9  10.447  -2.880   5.695
   58   1HB   ARG   9          HB3       ARG   9  10.401  -2.678   8.704
   59   2HB   ARG   9          HB2       ARG   9   9.190  -3.412   7.668
   60   1HG   ARG   9          HG2       ARG   9  10.968  -5.077   6.980
   61   2HG   ARG   9          HG3       ARG   9  11.930  -4.449   8.319
   62   1HD   ARG   9          HD2       ARG   9  10.151  -5.034   9.875
   63   2HD   ARG   9          HD3       ARG   9   9.150  -5.588   8.535
   64    HE   ARG   9           HE       ARG   9  11.100  -7.114   9.884
   65   1HH1  ARG   9          HH11      ARG   9   9.404  -7.594   6.552
   66   2HH1  ARG   9          HH12      ARG   9  10.941  -6.911   6.115
   67   1HH2  ARG   9          HH22      ARG   9  11.776  -9.122   9.058
   68   2HH2  ARG   9          HH21      ARG   9  11.541  -9.509   7.386
   69    H    ILE  10           HN       ILE  10  11.977  -0.415   6.018
   70    HA   ILE  10           HA       ILE  10  11.576   1.807   6.948
   71    HB   ILE  10           HB       ILE  10  12.337   1.670   4.671
   72   1HG1  ILE  10          HG12      ILE  10  11.242   3.778   3.756
   73   2HG1  ILE  10          HG13      ILE  10  10.211   3.750   5.185
   74   1HG2  ILE  10          HG21      ILE  10  10.864   1.615   2.767
   75   2HG2  ILE  10          HG22      ILE  10  10.624   0.191   3.784
   76   3HG2  ILE  10          HG23      ILE  10   9.461   1.519   3.831
   77   1HD1  ILE  10          HD11      ILE  10  12.719   3.497   6.264
   78   2HD1  ILE  10          HD12      ILE  10  12.987   4.580   4.902
   79   3HD1  ILE  10          HD13      ILE  10  11.797   4.996   6.133
   80    H    ILE  11           HN       ILE  11   8.569   1.064   5.015
   81    HA   ILE  11           HA       ILE  11   7.237   2.918   6.859
   82    HB   ILE  11           HB       ILE  11   5.896   1.753   4.444
   83   1HG1  ILE  11          HG13      ILE  11   7.624   4.241   4.576
   84   2HG1  ILE  11          HG12      ILE  11   8.049   2.760   3.728
   85   1HG2  ILE  11          HG21      ILE  11   5.314   4.502   5.197
   86   2HG2  ILE  11          HG22      ILE  11   4.211   3.146   5.012
   87   3HG2  ILE  11          HG23      ILE  11   5.061   3.404   6.548
   88   1HD1  ILE  11          HD11      ILE  11   5.792   3.239   2.454
   89   2HD1  ILE  11          HD12      ILE  11   6.083   4.883   3.034
   90   3HD1  ILE  11          HD13      ILE  11   7.278   4.087   2.013
   91    H    ARG  12           HN       ARG  12   5.012   0.831   5.331
   92    HA   ARG  12           HA       ARG  12   4.918  -1.022   7.614
   93   1HB   ARG  12          HB2       ARG  12   3.574   1.118   8.037
   94   2HB   ARG  12          HB3       ARG  12   2.472   0.523   6.794
   95   1HG   ARG  12          HG3       ARG  12   1.460  -0.758   8.305
   96   2HG   ARG  12          HG2       ARG  12   2.987  -1.579   8.654
   97   1HD   ARG  12          HD3       ARG  12   1.854   0.868   9.958
   98   2HD   ARG  12          HD2       ARG  12   2.225  -0.682  10.710
   99    HE   ARG  12           HE       ARG  12   4.548   0.510   9.583
  100   1HH1  ARG  12          HH11      ARG  12   3.493  -0.240  12.927
  101   2HH1  ARG  12          HH12      ARG  12   2.958   1.423  13.053
  102   1HH2  ARG  12          HH22      ARG  12   5.735   2.260  11.007
  103   2HH2  ARG  12          HH21      ARG  12   5.948   1.327  12.463
  104    H    HIS  13           HN       HIS  13   3.754  -2.935   7.225
  105    HA   HIS  13           HA       HIS  13   2.591  -3.234   4.545
  106   1HB   HIS  13          HB2       HIS  13   3.661  -5.457   4.316
  107   2HB   HIS  13          HB3       HIS  13   4.819  -4.142   4.380
  108    HD1  HIS  13           HD1      HIS  13   5.979  -3.821   6.851
  109    HD2  HIS  13           HD2      HIS  13   4.255  -7.505   5.996
  110    HE1  HIS  13           HE1      HIS  13   6.910  -5.420   8.560
  111    HE2  HIS  13           HE2      HIS  13   6.020  -7.697   7.875
  112    H    ASP  14           HN       ASP  14   0.550  -3.785   4.782
  113    HA   ASP  14           HA       ASP  14  -0.186  -5.866   6.693
  114   1HB   ASP  14          HB2       ASP  14  -1.173  -3.050   6.743
  115   2HB   ASP  14          HB3       ASP  14  -2.338  -4.343   7.039
  116    H    ALA  15           HN       ALA  15  -1.987  -7.047   6.116
  117    HA   ALA  15           HA       ALA  15  -2.666  -6.919   3.304
  118   1HB   ALA  15          HB1       ALA  15  -3.818  -9.028   3.695
  119   2HB   ALA  15          HB2       ALA  15  -2.174  -9.073   4.326
  120   3HB   ALA  15          HB3       ALA  15  -3.530  -8.871   5.431
  121    H    PHE  16           HN       PHE  16  -4.510  -6.160   2.463
  122    HA   PHE  16           HA       PHE  16  -6.710  -5.447   4.303
  123   1HB   PHE  16          HB2       PHE  16  -5.635  -3.799   2.001
  124   2HB   PHE  16          HB3       PHE  16  -7.105  -3.421   2.883
  125    HD1  PHE  16           HD1      PHE  16  -4.563  -1.724   2.442
  126    HD2  PHE  16           HD2      PHE  16  -5.887  -4.193   5.640
  127    HE1  PHE  16           HE1      PHE  16  -3.229  -0.364   4.027
  128    HE2  PHE  16           HE2      PHE  16  -4.552  -2.850   7.225
  129    HZ   PHE  16           HZ       PHE  16  -3.230  -0.939   6.424
  130    H    GLN  17           HN       GLN  17  -8.133  -7.045   3.695
  131    HA   GLN  17           HA       GLN  17  -8.490  -7.709   0.938
  132   1HB   GLN  17          HB3       GLN  17 -10.234  -9.227   1.651
  133   2HB   GLN  17          HB2       GLN  17  -8.819  -9.438   2.668
  134   1HG   GLN  17          HG2       GLN  17  -9.886  -8.439   4.516
  135   2HG   GLN  17          HG3       GLN  17 -11.124  -7.704   3.497
  136   1HE2  GLN  17          HE21      GLN  17 -10.674 -10.709   2.300
  137   2HE2  GLN  17          HE22      GLN  17 -11.868 -11.573   3.208
  138    H    VAL  18           HN       VAL  18  -9.517  -6.463  -0.404
  139    HA   VAL  18           HA       VAL  18 -12.096  -5.362   0.115
  140    HB   VAL  18           HB       VAL  18 -10.849  -3.833   1.464
  141   1HG1  VAL  18          HG11      VAL  18  -8.875  -4.303  -0.568
  142   2HG1  VAL  18          HG12      VAL  18  -9.075  -2.572  -0.306
  143   3HG1  VAL  18          HG13      VAL  18  -8.666  -3.629   1.048
  144   1HG2  VAL  18          HG21      VAL  18 -11.474  -2.554  -1.199
  145   2HG2  VAL  18          HG22      VAL  18 -12.547  -2.703   0.192
  146   3HG2  VAL  18          HG23      VAL  18 -11.126  -1.671   0.290
  147    H    TRP  19           HN       TRP  19 -12.913  -4.151  -1.699
  148    HA   TRP  19           HA       TRP  19 -12.394  -5.249  -4.209
  149   1HB   TRP  19          HB2       TRP  19 -13.661  -2.561  -3.719
  150   2HB   TRP  19          HB3       TRP  19 -14.008  -3.691  -5.022
  151    HD1  TRP  19           HD1      TRP  19 -15.808  -5.593  -4.524
  152    HE1  TRP  19           HE1      TRP  19 -17.433  -5.990  -2.584
  153    HE3  TRP  19           HE3      TRP  19 -13.760  -2.384  -1.093
  154    HZ2  TRP  19           HZ2      TRP  19 -17.802  -5.058   0.070
  155    HZ3  TRP  19           HZ3      TRP  19 -14.805  -2.202   1.109
  156    HH2  TRP  19           HH2      TRP  19 -16.780  -3.509   1.687
  157    H    GLU  20           HN       GLU  20 -10.584  -4.956  -5.392
  158    HA   GLU  20           HA       GLU  20  -9.290  -2.326  -5.345
  159   1HB   GLU  20          HB2       GLU  20  -7.393  -3.371  -6.353
  160   2HB   GLU  20          HB3       GLU  20  -7.930  -4.336  -4.995
  161   1HG   GLU  20          HG3       GLU  20  -8.831  -5.074  -7.731
  162   2HG   GLU  20          HG2       GLU  20  -7.189  -5.467  -7.214
  163    H    GLY  21           HN       GLY  21 -11.759  -2.722  -6.450
  164   1HA   GLY  21          HA1       GLY  21 -12.977  -1.974  -8.258
  165   2HA   GLY  21          HA2       GLY  21 -11.462  -1.506  -9.016
  166    H    ASP  22           HN       ASP  22 -12.436  -2.237 -10.965
  167    HA   ASP  22           HA       ASP  22 -12.613  -3.634 -12.712
  168   1HB   ASP  22          HB2       ASP  22 -10.411  -4.456 -12.019
  169   2HB   ASP  22          HB3       ASP  22 -11.180  -5.673 -11.008
  170    H    GLU  23           HN       GLU  23 -13.573  -5.190  -9.652
  171    HA   GLU  23           HA       GLU  23 -16.174  -5.604 -10.346
  172   1HB   GLU  23          HB2       GLU  23 -15.374  -7.032 -12.155
  173   2HB   GLU  23          HB3       GLU  23 -14.525  -8.041 -11.004
  174   1HG   GLU  23          HG2       GLU  23 -16.638  -8.696 -10.034
  175   2HG   GLU  23          HG3       GLU  23 -17.505  -7.683 -11.182
  176    HA   PRO  24           HA       PRO  24 -15.573  -8.150  -6.510
  177   1HB   PRO  24          HB2       PRO  24 -14.029 -10.321  -6.464
  178   2HB   PRO  24          HB3       PRO  24 -15.442 -10.221  -7.528
  179   1HG   PRO  24          HG2       PRO  24 -12.579 -10.172  -8.229
  180   2HG   PRO  24          HG3       PRO  24 -13.974 -10.511  -9.256
  181   1HD   PRO  24          HD3       PRO  24 -12.541  -7.979  -8.889
  182   2HD   PRO  24          HD2       PRO  24 -13.736  -8.420 -10.131
  183    HA   PRO  25           HA       PRO  25 -12.108  -7.024  -3.961
  184   1HB   PRO  25          HB3       PRO  25 -12.910  -8.041  -1.609
  185   2HB   PRO  25          HB2       PRO  25 -13.703  -6.667  -2.365
  186   1HG   PRO  25          HG3       PRO  25 -14.633  -9.442  -2.074
  187   2HG   PRO  25          HG2       PRO  25 -15.580  -7.975  -2.342
  188   1HD   PRO  25          HD3       PRO  25 -14.725  -9.970  -4.254
  189   2HD   PRO  25          HD2       PRO  25 -15.742  -8.543  -4.546
  190    H    LYS  26           HN       LYS  26 -10.149  -7.845  -3.215
  191    HA   LYS  26           HA       LYS  26  -9.891 -10.771  -3.438
  192   1HB   LYS  26          HB2       LYS  26  -8.581  -8.765  -4.849
  193   2HB   LYS  26          HB3       LYS  26  -7.393  -9.323  -3.683
  194   1HG   LYS  26          HG3       LYS  26  -7.188 -10.495  -5.782
  195   2HG   LYS  26          HG2       LYS  26  -7.621 -11.584  -4.467
  196   1HD   LYS  26          HD2       LYS  26  -9.844 -11.774  -5.227
  197   2HD   LYS  26          HD3       LYS  26  -9.679 -10.386  -6.304
  198   1HE   LYS  26          HE2       LYS  26  -8.333 -11.587  -7.825
  199   2HE   LYS  26          HE3       LYS  26  -8.018 -12.872  -6.663
  200   1HZ   LYS  26          HZ1       LYS  26 -10.753 -12.798  -6.998
  201   2HZ   LYS  26          HZ2       LYS  26  -9.688 -13.971  -7.592
  202   3HZ   LYS  26          HZ3       LYS  26 -10.104 -12.641  -8.560
  203    H    LEU  27           HN       LEU  27  -7.195 -10.737  -2.556
  204    HA   LEU  27           HA       LEU  27  -7.328  -9.970   0.265
  205   1HB   LEU  27          HB3       LEU  27  -7.761 -12.529  -0.395
  206   2HB   LEU  27          HB2       LEU  27  -6.018 -12.543  -0.520
  207    HG   LEU  27           HG       LEU  27  -6.518 -13.355   1.635
  208   1HD1  LEU  27          HD21      LEU  27  -5.065 -10.974   1.348
  209   2HD1  LEU  27          HD22      LEU  27  -6.079 -10.762   2.785
  210   3HD1  LEU  27          HD23      LEU  27  -4.988 -12.137   2.669
  211   1HD2  LEU  27          HD11      LEU  27  -7.869 -11.568   3.107
  212   2HD2  LEU  27          HD12      LEU  27  -8.616 -11.304   1.538
  213   3HD2  LEU  27          HD13      LEU  27  -8.645 -12.916   2.257
  214    H    ARG  28           HN       ARG  28  -6.099  -8.251  -0.757
  215    HA   ARG  28           HA       ARG  28  -3.453  -8.966  -1.750
  216   1HB   ARG  28          HB3       ARG  28  -4.826  -6.285  -1.708
  217   2HB   ARG  28          HB2       ARG  28  -3.345  -6.689  -2.562
  218   1HG   ARG  28          HG3       ARG  28  -4.535  -8.181  -4.013
  219   2HG   ARG  28          HG2       ARG  28  -6.017  -7.931  -3.089
  220   1HD   ARG  28          HD3       ARG  28  -4.637  -5.568  -4.286
  221   2HD   ARG  28          HD2       ARG  28  -5.619  -6.609  -5.316
  222    HE   ARG  28           HE       ARG  28  -7.514  -5.762  -4.330
  223   1HH1  ARG  28          HH12      ARG  28  -4.994  -3.619  -2.882
  224   2HH1  ARG  28          HH11      ARG  28  -5.389  -4.290  -1.337
  225   1HH2  ARG  28          HH22      ARG  28  -8.724  -4.588  -2.663
  226   2HH2  ARG  28          HH21      ARG  28  -7.849  -3.139  -2.247
  227    H    TYR  29           HN       TYR  29  -1.725  -8.811  -0.551
  228    HA   TYR  29           HA       TYR  29  -1.803  -7.546   2.038
  229   1HB   TYR  29          HB2       TYR  29   0.381  -9.004   0.521
  230   2HB   TYR  29          HB3       TYR  29   0.586  -8.326   2.133
  231    HD1  TYR  29           HD1      TYR  29  -1.866 -10.536   0.390
  232    HD2  TYR  29           HD2      TYR  29   0.487  -9.801   3.845
  233    HE1  TYR  29           HE1      TYR  29  -2.642 -12.658   1.354
  234    HE2  TYR  29           HE2      TYR  29  -0.310 -11.908   4.852
  235    HH   TYR  29           HH       TYR  29  -2.709 -13.926   3.188
  236    H    VAL  30           HN       VAL  30  -1.664  -5.364   2.019
  237    HA   VAL  30           HA       VAL  30  -0.294  -3.966  -0.093
  238    HB   VAL  30           HB       VAL  30  -1.695  -2.962   2.391
  239   1HG1  VAL  30          HG21      VAL  30  -0.938  -1.377  -0.042
  240   2HG1  VAL  30          HG22      VAL  30  -1.516  -0.786   1.517
  241   3HG1  VAL  30          HG23      VAL  30   0.093  -1.490   1.384
  242   1HG2  VAL  30          HG11      VAL  30  -3.348  -2.199   0.543
  243   2HG2  VAL  30          HG12      VAL  30  -2.558  -3.421  -0.453
  244   3HG2  VAL  30          HG13      VAL  30  -3.384  -3.886   1.047
  245    H    PHE  31           HN       PHE  31   1.722  -3.340  -0.042
  246    HA   PHE  31           HA       PHE  31   3.139  -3.270   2.544
  247   1HB   PHE  31          HB3       PHE  31   4.191  -4.272  -0.116
  248   2HB   PHE  31          HB2       PHE  31   5.216  -3.933   1.263
  249    HD1  PHE  31           HD1      PHE  31   5.988  -6.299   0.768
  250    HD2  PHE  31           HD2      PHE  31   2.106  -5.401   2.225
  251    HE1  PHE  31           HE1      PHE  31   5.732  -8.620   1.545
  252    HE2  PHE  31           HE2      PHE  31   1.832  -7.706   2.962
  253    HZ   PHE  31           HZ       PHE  31   3.641  -9.330   2.618
  254    H    LEU  32           HN       LEU  32   4.031  -1.323   2.948
  255    HA   LEU  32           HA       LEU  32   4.444   0.432   0.608
  256   1HB   LEU  32          HB2       LEU  32   4.590   1.694   3.260
  257   2HB   LEU  32          HB3       LEU  32   3.929   2.293   1.747
  258    HG   LEU  32           HG       LEU  32   2.513   0.366   3.590
  259   1HD1  LEU  32          HD11      LEU  32   2.814   3.246   3.651
  260   2HD1  LEU  32          HD12      LEU  32   1.121   2.763   3.493
  261   3HD1  LEU  32          HD13      LEU  32   2.107   2.163   4.836
  262   1HD2  LEU  32          HD21      LEU  32   0.821   0.272   2.118
  263   2HD2  LEU  32          HD22      LEU  32   1.050   1.938   1.585
  264   3HD2  LEU  32          HD23      LEU  32   2.074   0.674   0.937
  265    H    PHE  33           HN       PHE  33   6.506   0.367   0.007
  266    HA   PHE  33           HA       PHE  33   8.572   0.545   2.082
  267   1HB   PHE  33          HB3       PHE  33   8.457  -1.521  -0.117
  268   2HB   PHE  33          HB2       PHE  33   9.944  -1.119   0.733
  269    HD1  PHE  33           HD1      PHE  33   6.504  -2.410   1.239
  270    HD2  PHE  33           HD2      PHE  33  10.456  -2.108   2.766
  271    HE1  PHE  33           HE1      PHE  33   5.951  -4.031   2.996
  272    HE2  PHE  33           HE2      PHE  33   9.925  -3.770   4.492
  273    HZ   PHE  33           HZ       PHE  33   7.651  -4.722   4.627
  274    H    ARG  34           HN       ARG  34   9.387   2.484   1.617
  275    HA   ARG  34           HA       ARG  34  10.557   4.118   0.622
  276   1HB   ARG  34          HB3       ARG  34  11.426   1.850  -1.160
  277   2HB   ARG  34          HB2       ARG  34  12.181   3.442  -1.143
  278   1HG   ARG  34          HG2       ARG  34  12.864   3.170   1.154
  279   2HG   ARG  34          HG3       ARG  34  11.946   1.675   1.297
  280   1HD   ARG  34          HD3       ARG  34  14.323   2.068  -0.511
  281   2HD   ARG  34          HD2       ARG  34  14.359   1.284   1.068
  282    HE   ARG  34           HE       ARG  34  12.425   0.070  -0.648
  283   1HH1  ARG  34          HH12      ARG  34  16.074   0.096  -0.986
  284   2HH1  ARG  34          HH11      ARG  34  15.903  -0.933   0.407
  285   1HH2  ARG  34          HH22      ARG  34  13.235  -2.473  -0.863
  286   2HH2  ARG  34          HH21      ARG  34  13.996  -1.948  -2.331
  287    H    ASN  35           HN       ASN  35   8.967   5.391   0.008
  288    HA   ASN  35           HA       ASN  35   7.648   6.653  -1.333
  289   1HB   ASN  35          HB2       ASN  35  10.019   6.982  -2.198
  290   2HB   ASN  35          HB3       ASN  35   9.587   5.898  -3.516
  291   1HD2  ASN  35          HD21      ASN  35   7.342   8.159  -2.113
  292   2HD2  ASN  35          HD22      ASN  35   7.360   9.299  -3.407
  293    H    LYS  36           HN       LYS  36   6.743   3.814  -1.290
  294    HA   LYS  36           HA       LYS  36   4.894   4.037  -3.431
  295   1HB   LYS  36          HB2       LYS  36   5.503   2.093  -4.760
  296   2HB   LYS  36          HB3       LYS  36   6.806   3.279  -4.753
  297   1HG   LYS  36          HG3       LYS  36   7.990   1.998  -3.076
  298   2HG   LYS  36          HG2       LYS  36   6.694   0.801  -3.067
  299   1HD   LYS  36          HD2       LYS  36   7.141   0.181  -5.313
  300   2HD   LYS  36          HD3       LYS  36   8.279   1.513  -5.522
  301   1HE   LYS  36          HE3       LYS  36   8.598  -0.753  -3.586
  302   2HE   LYS  36          HE2       LYS  36   9.411  -0.630  -5.147
  303   1HZ   LYS  36          HZ1       LYS  36  10.460   1.440  -4.353
  304   2HZ   LYS  36          HZ2       LYS  36  10.869   0.115  -3.378
  305   3HZ   LYS  36          HZ3       LYS  36   9.722   1.239  -2.842
  306    H    ILE  37           HN       ILE  37   3.525   2.143  -3.723
  307    HA   ILE  37           HA       ILE  37   3.175   0.578  -1.241
  308    HB   ILE  37           HB       ILE  37   1.041   1.630  -3.115
  309   1HG1  ILE  37          HG13      ILE  37   1.836   2.484  -0.325
  310   2HG1  ILE  37          HG12      ILE  37   1.942   3.457  -1.786
  311   1HG2  ILE  37          HG21      ILE  37   0.589   0.380  -0.434
  312   2HG2  ILE  37          HG22      ILE  37  -0.570   0.611  -1.748
  313   3HG2  ILE  37          HG23      ILE  37   0.697  -0.607  -1.891
  314   1HD1  ILE  37          HD11      ILE  37  -0.206   4.050  -1.666
  315   2HD1  ILE  37          HD12      ILE  37  -0.722   2.435  -1.179
  316   3HD1  ILE  37          HD13      ILE  37  -0.057   3.549   0.018
  317    H    MET  38           HN       MET  38   3.816  -1.455  -1.806
  318    HA   MET  38           HA       MET  38   3.074  -2.479  -4.457
  319   1HB   MET  38          HB2       MET  38   5.505  -2.534  -3.953
  320   2HB   MET  38          HB3       MET  38   5.172  -3.532  -2.543
  321   1HG   MET  38          HG2       MET  38   4.274  -5.276  -3.966
  322   2HG   MET  38          HG3       MET  38   4.577  -4.283  -5.391
  323   1HE   MET  38          HE1       MET  38   7.101  -3.561  -6.142
  324   2HE   MET  38          HE2       MET  38   7.292  -2.926  -4.506
  325   3HE   MET  38          HE3       MET  38   8.523  -3.992  -5.187
  326    H    PHE  39           HN       PHE  39   1.231  -3.610  -4.362
  327    HA   PHE  39           HA       PHE  39   0.917  -5.427  -2.075
  328   1HB   PHE  39          HB3       PHE  39  -1.506  -5.054  -2.129
  329   2HB   PHE  39          HB2       PHE  39  -0.649  -3.546  -1.849
  330    HD1  PHE  39           HD1      PHE  39  -0.078  -2.209  -4.077
  331    HD2  PHE  39           HD2      PHE  39  -3.254  -5.001  -3.618
  332    HE1  PHE  39           HE1      PHE  39  -1.224  -1.216  -5.998
  333    HE2  PHE  39           HE2      PHE  39  -4.427  -3.988  -5.545
  334    HZ   PHE  39           HZ       PHE  39  -3.376  -2.094  -6.749
  335    H    THR  40           HN       THR  40   0.912  -7.451  -2.633
  336    HA   THR  40           HA       THR  40   0.443  -8.185  -5.419
  337    HB   THR  40           HB       THR  40   1.264 -10.449  -4.522
  338    HG1  THR  40           HG1      THR  40   1.052 -10.224  -2.375
  339   1HG2  THR  40          HG21      THR  40   2.791  -9.192  -5.802
  340   2HG2  THR  40          HG22      THR  40   3.634  -9.673  -4.332
  341   3HG2  THR  40          HG23      THR  40   3.026  -8.022  -4.500
  342    H    GLU  41           HN       GLU  41  -1.304  -9.316  -6.096
  343    HA   GLU  41           HA       GLU  41  -3.479  -9.613  -4.249
  344   1HB   GLU  41          HB2       GLU  41  -3.412 -10.509  -7.134
  345   2HB   GLU  41          HB3       GLU  41  -4.826 -10.183  -6.149
  346   1HG   GLU  41          HG3       GLU  41  -4.818  -8.225  -7.237
  347   2HG   GLU  41          HG2       GLU  41  -3.611  -7.790  -6.028
  348    H    GLN  42           HN       GLN  42  -3.750 -11.326  -3.007
  349    HA   GLN  42           HA       GLN  42  -2.764 -13.954  -3.918
  350   1HB   GLN  42          HB3       GLN  42  -1.812 -13.083  -1.780
  351   2HB   GLN  42          HB2       GLN  42  -3.434 -13.037  -1.108
  352   1HG   GLN  42          HG3       GLN  42  -3.628 -15.395  -1.186
  353   2HG   GLN  42          HG2       GLN  42  -2.130 -15.553  -2.105
  354   1HE2  GLN  42          HE21      GLN  42  -3.426 -15.857   0.890
  355   2HE2  GLN  42          HE22      GLN  42  -1.966 -15.743   1.803
  356    H    ASP  43           HN       ASP  43  -4.449 -14.834  -5.033
  357    HA   ASP  43           HA       ASP  43  -7.129 -14.556  -3.861
  358   1HB   ASP  43          HB2       ASP  43  -6.877 -13.991  -6.248
  359   2HB   ASP  43          HB3       ASP  43  -6.349 -15.640  -6.567
  360    H    ALA  44           HN       ALA  44  -7.798 -16.032  -2.577
  361    HA   ALA  44           HA       ALA  44  -7.292 -18.859  -3.162
  362   1HB   ALA  44          HB1       ALA  44  -5.871 -18.565  -1.340
  363   2HB   ALA  44          HB2       ALA  44  -6.961 -17.413  -0.560
  364   3HB   ALA  44          HB3       ALA  44  -7.365 -19.125  -0.595
  365    H    SER  45           HN       SER  45  -9.462 -16.639  -3.348
  366    HA   SER  45           HA       SER  45 -11.668 -17.950  -1.921
  367   1HB   SER  45          HB3       SER  45 -11.743 -15.396  -3.518
  368   2HB   SER  45          HB2       SER  45 -12.884 -15.931  -2.288
  369    HG   SER  45           HG       SER  45 -10.145 -15.360  -1.758
  370    H    THR  46           HN       THR  46 -11.022 -16.520  -5.148
  371    HA   THR  46           HA       THR  46 -13.063 -18.259  -6.289
  372    HB   THR  46           HB       THR  46 -12.248 -16.831  -8.402
  373    HG1  THR  46           HG1      THR  46 -10.583 -15.758  -7.243
  374   1HG2  THR  46          HG21      THR  46 -13.757 -14.944  -6.998
  375   2HG2  THR  46          HG22      THR  46 -14.335 -16.529  -6.480
  376   3HG2  THR  46          HG23      THR  46 -14.310 -16.113  -8.196
  377    H    SER  47           HN       SER  47 -12.117 -18.610  -8.877
  378    HA   SER  47           HA       SER  47 -10.124 -20.672  -8.390
  379   1HB   SER  47          HB3       SER  47 -10.849 -21.206 -10.906
  380   2HB   SER  47          HB2       SER  47 -11.821 -21.700  -9.520
  381    HG   SER  47           HG       SER  47 -12.596 -20.209 -11.528
  382    HA   PRO  48           HA       PRO  48  -7.800 -18.343 -11.740
  383   1HB   PRO  48          HB3       PRO  48  -8.867 -16.053 -12.836
  384   2HB   PRO  48          HB2       PRO  48  -9.069 -17.680 -13.500
  385   1HG   PRO  48          HG3       PRO  48 -11.053 -15.974 -12.294
  386   2HG   PRO  48          HG2       PRO  48 -11.265 -17.562 -13.057
  387   1HD   PRO  48          HD2       PRO  48 -11.099 -16.871 -10.218
  388   2HD   PRO  48          HD3       PRO  48 -11.713 -18.351 -10.984
  389    HA   PRO  49           HA       PRO  49  -6.620 -15.260  -8.626
  390   1HB   PRO  49          HB2       PRO  49  -4.232 -16.192  -8.082
  391   2HB   PRO  49          HB3       PRO  49  -5.647 -17.158  -7.639
  392   1HG   PRO  49          HG3       PRO  49  -3.874 -17.406 -10.045
  393   2HG   PRO  49          HG2       PRO  49  -4.390 -18.677  -8.928
  394   1HD   PRO  49          HD2       PRO  49  -5.633 -18.136 -11.326
  395   2HD   PRO  49          HD3       PRO  49  -6.445 -18.880  -9.930
  396    H    SER  50           HN       SER  50  -4.552 -13.895  -8.510
  397    HA   SER  50           HA       SER  50  -3.346 -13.453 -11.119
  398   1HB   SER  50          HB2       SER  50  -4.859 -11.311  -9.614
  399   2HB   SER  50          HB3       SER  50  -3.853 -11.023 -11.037
  400    HG   SER  50           HG       SER  50  -5.263 -12.537 -12.156
  401    H    TYR  51           HN       TYR  51  -1.693 -14.461  -9.671
  402    HA   TYR  51           HA       TYR  51  -0.385 -12.413  -8.014
  403   1HB   TYR  51          HB2       TYR  51  -1.060 -14.639  -6.965
  404   2HB   TYR  51          HB3       TYR  51   0.178 -15.389  -7.965
  405    HD1  TYR  51           HD1      TYR  51   0.917 -16.129  -5.619
  406    HD2  TYR  51           HD2      TYR  51   1.136 -12.111  -6.969
  407    HE1  TYR  51           HE1      TYR  51   2.558 -15.646  -3.862
  408    HE2  TYR  51           HE2      TYR  51   2.810 -11.638  -5.237
  409    HH   TYR  51           HH       TYR  51   4.581 -13.585  -3.726
  410    H    THR  52           HN       THR  52  -0.373 -12.827 -10.981
  411    HA   THR  52           HA       THR  52   2.395 -13.596 -11.487
  412    HB   THR  52           HB       THR  52   0.293 -12.727 -13.472
  413    HG1  THR  52           HG1      THR  52  -0.467 -14.702 -13.461
  414   1HG2  THR  52          HG21      THR  52   2.874 -13.006 -14.024
  415   2HG2  THR  52          HG22      THR  52   1.603 -13.477 -15.153
  416   3HG2  THR  52          HG23      THR  52   2.385 -14.703 -14.160
  417    H    HIS  53           HN       HIS  53   0.248 -10.807 -12.006
  418    HA   HIS  53           HA       HIS  53   2.551  -9.153 -12.645
  419   1HB   HIS  53          HB2       HIS  53   0.504  -8.891 -14.015
  420   2HB   HIS  53          HB3       HIS  53  -0.416  -8.484 -12.570
  421    HD1  HIS  53           HD1      HIS  53   2.660  -7.122 -14.405
  422    HD2  HIS  53           HD2      HIS  53  -0.672  -5.808 -12.253
  423    HE1  HIS  53           HE1      HIS  53   2.779  -4.602 -14.421
  424    HE2  HIS  53           HE2      HIS  53   0.740  -3.824 -13.143
  425    H    TYR  54           HN       TYR  54   3.662  -8.379 -11.009
  426    HA   TYR  54           HA       TYR  54   2.497  -8.116  -8.401
  427   1HB   TYR  54          HB2       TYR  54   5.202  -7.408  -9.523
  428   2HB   TYR  54          HB3       TYR  54   4.747  -7.023  -7.866
  429    HD1  TYR  54           HD1      TYR  54   4.429  -9.990 -10.108
  430    HD2  TYR  54           HD2      TYR  54   5.625  -8.477  -6.334
  431    HE1  TYR  54           HE1      TYR  54   5.127 -12.244  -9.435
  432    HE2  TYR  54           HE2      TYR  54   6.286 -10.741  -5.618
  433    HH   TYR  54           HH       TYR  54   6.417 -13.409  -7.858
  434    H    SER  55           HN       SER  55   1.038  -6.568  -8.103
  435    HA   SER  55           HA       SER  55   0.936  -4.180  -9.603
  436   1HB   SER  55          HB3       SER  55  -0.930  -5.379  -8.246
  437   2HB   SER  55          HB2       SER  55  -0.307  -4.454  -6.879
  438    HG   SER  55           HG       SER  55  -1.982  -3.657  -8.746
  439    H    SER  56           HN       SER  56   1.638  -2.124  -9.211
  440    HA   SER  56           HA       SER  56   3.039  -1.538  -6.718
  441   1HB   SER  56          HB2       SER  56   4.359  -1.211  -9.422
  442   2HB   SER  56          HB3       SER  56   5.052  -0.753  -7.865
  443    HG   SER  56           HG       SER  56   4.227  -3.307  -7.796
  444    H    ILE  57           HN       ILE  57   2.461   0.391  -6.016
  445    HA   ILE  57           HA       ILE  57   1.534   2.411  -7.958
  446    HB   ILE  57           HB       ILE  57   0.454   1.783  -5.198
  447   1HG1  ILE  57          HG13      ILE  57  -0.385   0.431  -7.091
  448   2HG1  ILE  57          HG12      ILE  57  -1.645   1.410  -6.346
  449   1HG2  ILE  57          HG21      ILE  57  -0.115   4.209  -6.902
  450   2HG2  ILE  57          HG22      ILE  57  -1.118   3.681  -5.555
  451   3HG2  ILE  57          HG23      ILE  57   0.546   4.156  -5.261
  452   1HD1  ILE  57          HD11      ILE  57  -1.528   3.010  -8.171
  453   2HD1  ILE  57          HD12      ILE  57  -0.173   2.127  -8.873
  454   3HD1  ILE  57          HD13      ILE  57  -1.769   1.374  -8.810
  455    H    ARG  58           HN       ARG  58   2.814   4.199  -7.970
  456    HA   ARG  58           HA       ARG  58   4.723   4.522  -5.815
  457   1HB   ARG  58          HB2       ARG  58   5.868   6.094  -7.131
  458   2HB   ARG  58          HB3       ARG  58   5.310   4.879  -8.271
  459   1HG   ARG  58          HG2       ARG  58   3.971   7.530  -7.783
  460   2HG   ARG  58          HG3       ARG  58   5.092   7.209  -9.102
  461   1HD   ARG  58          HD3       ARG  58   3.519   5.341  -9.783
  462   2HD   ARG  58          HD2       ARG  58   2.363   6.039  -8.643
  463    HE   ARG  58           HE       ARG  58   3.370   8.023 -10.413
  464   1HH1  ARG  58          HH11      ARG  58   1.247   5.256 -11.672
  465   2HH1  ARG  58          HH12      ARG  58   0.355   5.835 -10.306
  466   1HH2  ARG  58          HH22      ARG  58   1.839   7.937 -12.917
  467   2HH2  ARG  58          HH21      ARG  58   0.893   8.852 -11.769
  468    H    LEU  59           HN       LEU  59   4.459   5.640  -4.155
  469    HA   LEU  59           HA       LEU  59   2.109   6.956  -3.406
  470   1HB   LEU  59          HB2       LEU  59   4.917   7.001  -2.353
  471   2HB   LEU  59          HB3       LEU  59   3.703   8.037  -1.634
  472    HG   LEU  59           HG       LEU  59   3.459   5.033  -1.794
  473   1HD1  LEU  59          HD21      LEU  59   4.100   5.046   0.593
  474   2HD1  LEU  59          HD22      LEU  59   5.402   5.587  -0.463
  475   3HD1  LEU  59          HD23      LEU  59   4.462   6.769   0.451
  476   1HD2  LEU  59          HD11      LEU  59   2.070   6.268   0.363
  477   2HD2  LEU  59          HD12      LEU  59   1.639   7.083  -1.146
  478   3HD2  LEU  59          HD13      LEU  59   1.414   5.336  -0.985
  479    H    ASP  60           HN       ASP  60   5.195   8.164  -4.494
  480    HA   ASP  60           HA       ASP  60   5.066  10.815  -4.204
  481   1HB   ASP  60          HB3       ASP  60   6.963   9.499  -5.162
  482   2HB   ASP  60          HB2       ASP  60   6.105   9.456  -6.698
  483    H    LYS  61           HN       LYS  61   3.264   9.066  -6.751
  484    HA   LYS  61           HA       LYS  61   2.041  11.659  -7.395
  485   1HB   LYS  61          HB3       LYS  61   3.980  11.242  -8.893
  486   2HB   LYS  61          HB2       LYS  61   3.145   9.831  -9.520
  487   1HG   LYS  61          HG2       LYS  61   1.302  11.296 -10.270
  488   2HG   LYS  61          HG3       LYS  61   2.260  12.700  -9.785
  489   1HD   LYS  61          HD2       LYS  61   4.023  12.050 -11.326
  490   2HD   LYS  61          HD3       LYS  61   3.124  10.591 -11.751
  491   1HE   LYS  61          HE3       LYS  61   1.253  12.129 -12.514
  492   2HE   LYS  61          HE2       LYS  61   2.408  13.456 -12.341
  493   1HZ   LYS  61          HZ1       LYS  61   3.389  11.194 -13.859
  494   2HZ   LYS  61          HZ2       LYS  61   3.515  12.844 -14.186
  495   3HZ   LYS  61          HZ3       LYS  61   2.087  12.015 -14.587
  496    H    TYR  62           HN       TYR  62   0.282  10.484  -6.144
  497    HA   TYR  62           HA       TYR  62  -1.525   9.506  -8.166
  498   1HB   TYR  62          HB3       TYR  62  -2.299   7.576  -7.040
  499   2HB   TYR  62          HB2       TYR  62  -0.556   7.439  -7.170
  500    HD1  TYR  62           HD1      TYR  62  -3.153   8.568  -4.693
  501    HD2  TYR  62           HD2      TYR  62   0.618   6.709  -5.345
  502    HE1  TYR  62           HE1      TYR  62  -3.024   8.010  -2.296
  503    HE2  TYR  62           HE2      TYR  62   0.749   6.139  -2.968
  504    HH   TYR  62           HH       TYR  62  -1.079   7.527  -0.640
  505    H    ASN  63           HN       ASN  63  -3.812   9.638  -7.451
  506    HA   ASN  63           HA       ASN  63  -4.093  11.817  -5.528
  507   1HB   ASN  63          HB2       ASN  63  -5.064  12.154  -7.794
  508   2HB   ASN  63          HB3       ASN  63  -6.070  10.732  -7.551
  509   1HD2  ASN  63          HD21      ASN  63  -8.035  11.648  -7.597
  510   2HD2  ASN  63          HD22      ASN  63  -8.543  12.955  -6.587
  511    H    ILE  64           HN       ILE  64  -5.269  11.511  -3.658
  512    HA   ILE  64           HA       ILE  64  -6.483   8.865  -3.305
  513    HB   ILE  64           HB       ILE  64  -4.224   8.607  -2.574
  514   1HG1  ILE  64          HG13      ILE  64  -6.269   7.726  -1.152
  515   2HG1  ILE  64          HG12      ILE  64  -4.611   7.516  -0.599
  516   1HG2  ILE  64          HG21      ILE  64  -4.270  10.360  -0.280
  517   2HG2  ILE  64          HG22      ILE  64  -3.012  10.093  -1.478
  518   3HG2  ILE  64          HG23      ILE  64  -4.318  11.230  -1.816
  519   1HD1  ILE  64          HD11      ILE  64  -6.137   8.237   1.194
  520   2HD1  ILE  64          HD12      ILE  64  -4.827   9.387   0.900
  521   3HD1  ILE  64          HD13      ILE  64  -6.444   9.721   0.297
  522    H    ARG  65           HN       ARG  65  -8.089   8.636  -1.949
  523    HA   ARG  65           HA       ARG  65  -9.022  10.973  -0.467
  524   1HB   ARG  65          HB3       ARG  65 -10.610   8.978  -2.104
  525   2HB   ARG  65          HB2       ARG  65 -11.357  10.076  -0.951
  526   1HG   ARG  65          HG2       ARG  65  -9.882  10.819  -3.472
  527   2HG   ARG  65          HG3       ARG  65 -11.610  10.968  -3.147
  528   1HD   ARG  65          HD3       ARG  65 -11.127  12.593  -1.366
  529   2HD   ARG  65          HD2       ARG  65  -9.401  12.454  -1.724
  530    HE   ARG  65           HE       ARG  65  -9.712  13.951  -3.422
  531   1HH1  ARG  65          HH11      ARG  65 -13.144  12.392  -3.385
  532   2HH1  ARG  65          HH12      ARG  65 -13.355  13.961  -2.661
  533   1HH2  ARG  65          HH22      ARG  65 -11.093  14.640  -5.515
  534   2HH2  ARG  65          HH21      ARG  65 -12.303  15.513  -4.592
  535    H    GLN  66           HN       GLN  66 -10.267  10.372   1.436
  536    HA   GLN  66           HA       GLN  66  -9.997   7.597   2.336
  537   1HB   GLN  66          HB3       GLN  66  -9.039   8.158   4.476
  538   2HB   GLN  66          HB2       GLN  66  -7.986   8.795   3.222
  539   1HG   GLN  66          HG3       GLN  66 -10.047  10.530   4.564
  540   2HG   GLN  66          HG2       GLN  66  -8.464  10.258   5.284
  541   1HE2  GLN  66          HE21      GLN  66  -6.864  11.558   4.716
  542   2HE2  GLN  66          HE22      GLN  66  -7.001  12.797   3.513
  543    H    HIS  67           HN       HIS  67 -11.750   6.904   3.351
  544    HA   HIS  67           HA       HIS  67 -13.805   8.956   3.861
  545   1HB   HIS  67          HB3       HIS  67 -14.114   6.095   2.929
  546   2HB   HIS  67          HB2       HIS  67 -15.463   7.132   3.386
  547    HD1  HIS  67           HD1      HIS  67 -15.627   9.417   1.966
  548    HD2  HIS  67           HD2      HIS  67 -13.431   6.315   0.284
  549    HE1  HIS  67           HE1      HIS  67 -15.445   9.975  -0.475
  550    HE2  HIS  67           HE2      HIS  67 -14.083   8.091  -1.483
  551    H    THR  68           HN       THR  68 -13.220   9.287   5.993
  552    HA   THR  68           HA       THR  68 -13.218   7.124   7.886
  553    HB   THR  68           HB       THR  68 -13.164  10.128   8.256
  554    HG1  THR  68           HG1      THR  68 -11.063   8.229   8.449
  555   1HG2  THR  68          HG21      THR  68 -13.306   7.970  10.185
  556   2HG2  THR  68          HG22      THR  68 -13.539   9.700  10.406
  557   3HG2  THR  68          HG23      THR  68 -11.905   9.020  10.416
  558    H    THR  69           HN       THR  69 -15.024   6.211   8.479
  559    HA   THR  69           HA       THR  69 -17.258   7.624   9.538
  560    HB   THR  69           HB       THR  69 -17.929   5.947   7.116
  561    HG1  THR  69           HG1      THR  69 -17.113   8.612   7.205
  562   1HG2  THR  69          HG21      THR  69 -19.494   8.213   8.289
  563   2HG2  THR  69          HG22      THR  69 -19.682   6.544   8.828
  564   3HG2  THR  69          HG23      THR  69 -20.028   6.975   7.151
  565    H    ASP  70           HN       ASP  70 -15.899   6.091  10.966
  566    HA   ASP  70           HA       ASP  70 -16.214   4.385  12.495
  567   1HB   ASP  70          HB3       ASP  70 -18.569   3.998  11.742
  568   2HB   ASP  70          HB2       ASP  70 -17.950   2.982  10.449
  569    H    GLU  71           HN       GLU  71 -15.878   3.661   9.101
  570    HA   GLU  71           HA       GLU  71 -13.617   1.856   9.671
  571   1HB   GLU  71          HB3       GLU  71 -15.363   2.032   7.194
  572   2HB   GLU  71          HB2       GLU  71 -13.998   0.948   7.397
  573   1HG   GLU  71          HG3       GLU  71 -15.187  -0.203   9.197
  574   2HG   GLU  71          HG2       GLU  71 -16.563   0.874   8.947
  575    H    ASP  72           HN       ASP  72 -11.653   2.695   9.067
  576    HA   ASP  72           HA       ASP  72 -11.659   5.220   7.620
  577   1HB   ASP  72          HB2       ASP  72  -9.496   3.685   9.052
  578   2HB   ASP  72          HB3       ASP  72  -9.108   5.053   8.013
  579    H    THR  73           HN       THR  73 -12.504   4.237   5.696
  580    HA   THR  73           HA       THR  73 -10.946   2.368   4.242
  581    HB   THR  73           HB       THR  73 -13.236   4.121   3.347
  582    HG1  THR  73           HG1      THR  73 -14.240   2.901   4.756
  583   1HG2  THR  73          HG21      THR  73 -11.715   1.996   2.026
  584   2HG2  THR  73          HG22      THR  73 -12.699   3.290   1.343
  585   3HG2  THR  73          HG23      THR  73 -13.470   1.823   1.958
  586    H    ILE  74           HN       ILE  74  -9.440   2.701   2.718
  587    HA   ILE  74           HA       ILE  74  -8.772   5.498   2.049
  588    HB   ILE  74           HB       ILE  74  -7.044   3.023   1.860
  589   1HG1  ILE  74          HG13      ILE  74  -7.380   3.788   4.176
  590   2HG1  ILE  74          HG12      ILE  74  -5.718   4.046   3.653
  591   1HG2  ILE  74          HG21      ILE  74  -6.690   5.781   0.827
  592   2HG2  ILE  74          HG22      ILE  74  -5.292   5.027   1.590
  593   3HG2  ILE  74          HG23      ILE  74  -6.071   4.246   0.219
  594   1HD1  ILE  74          HD11      ILE  74  -7.776   6.235   3.575
  595   2HD1  ILE  74          HD12      ILE  74  -6.807   5.885   4.998
  596   3HD1  ILE  74          HD13      ILE  74  -6.008   6.373   3.508
  597    H    VAL  75           HN       VAL  75  -8.939   6.138  -0.024
  598    HA   VAL  75           HA       VAL  75  -9.323   4.097  -2.099
  599    HB   VAL  75           HB       VAL  75 -11.036   6.557  -1.718
  600   1HG1  VAL  75          HG21      VAL  75 -11.189   4.536  -3.945
  601   2HG1  VAL  75          HG22      VAL  75 -12.169   5.999  -3.745
  602   3HG1  VAL  75          HG23      VAL  75 -10.440   6.127  -4.068
  603   1HG2  VAL  75          HG11      VAL  75 -11.624   3.636  -1.423
  604   2HG2  VAL  75          HG12      VAL  75 -11.943   4.958  -0.301
  605   3HG2  VAL  75          HG13      VAL  75 -12.896   4.808  -1.775
  606    H    LEU  76           HN       LEU  76  -7.617   4.402  -3.386
  607    HA   LEU  76           HA       LEU  76  -6.692   7.105  -3.836
  608   1HB   LEU  76          HB3       LEU  76  -4.808   6.053  -5.059
  609   2HB   LEU  76          HB2       LEU  76  -4.905   5.618  -3.367
  610    HG   LEU  76           HG       LEU  76  -6.223   3.814  -5.283
  611   1HD1  LEU  76          HD21      LEU  76  -4.417   3.520  -6.592
  612   2HD1  LEU  76          HD22      LEU  76  -3.464   4.621  -5.584
  613   3HD1  LEU  76          HD23      LEU  76  -3.560   2.920  -5.170
  614   1HD2  LEU  76          HD11      LEU  76  -5.589   3.747  -2.605
  615   2HD2  LEU  76          HD12      LEU  76  -6.104   2.387  -3.591
  616   3HD2  LEU  76          HD13      LEU  76  -4.383   2.686  -3.339
  617    H    GLN  77           HN       GLN  77  -6.947   8.178  -5.671
  618    HA   GLN  77           HA       GLN  77  -8.587   6.859  -7.730
  619   1HB   GLN  77          HB2       GLN  77  -8.363   9.751  -6.892
  620   2HB   GLN  77          HB3       GLN  77  -9.336   9.195  -8.238
  621   1HG   GLN  77          HG3       GLN  77 -10.698   7.858  -6.699
  622   2HG   GLN  77          HG2       GLN  77  -9.721   8.424  -5.345
  623   1HE2  GLN  77          HE21      GLN  77  -9.898  10.896  -7.497
  624   2HE2  GLN  77          HE22      GLN  77 -11.345  11.683  -6.973
  625    HA   PRO  78           HA       PRO  78  -5.514   7.430 -10.766
  626   1HB   PRO  78          HB3       PRO  78  -7.054   8.028 -12.940
  627   2HB   PRO  78          HB2       PRO  78  -6.866   6.403 -12.286
  628   1HG   PRO  78          HG3       PRO  78  -9.115   8.312 -11.988
  629   2HG   PRO  78          HG2       PRO  78  -9.132   6.544 -12.132
  630   1HD   PRO  78          HD3       PRO  78  -9.441   7.871  -9.760
  631   2HD   PRO  78          HD2       PRO  78  -8.784   6.231  -9.893
  632    H    GLN  79           HN       GLN  79  -4.206   9.183 -10.585
  633    HA   GLN  79           HA       GLN  79  -5.244  11.866 -10.859
  634   1HB   GLN  79          HB3       GLN  79  -2.838  12.555 -10.616
  635   2HB   GLN  79          HB2       GLN  79  -3.444  11.584  -9.280
  636   1HG   GLN  79          HG3       GLN  79  -1.480  10.544  -9.570
  637   2HG   GLN  79          HG2       GLN  79  -2.427   9.623 -10.735
  638   1HE2  GLN  79          HE21      GLN  79  -1.898  12.803 -11.747
  639   2HE2  GLN  79          HE22      GLN  79  -0.675  12.442 -12.903
  640    H    GLU  80           HN       GLU  80  -4.336   9.401 -12.882
  641    HA   GLU  80           HA       GLU  80  -4.310  11.130 -15.221
  642   1HB   GLU  80          HB3       GLU  80  -2.230   9.040 -14.556
  643   2HB   GLU  80          HB2       GLU  80  -2.551   9.533 -16.212
  644   1HG   GLU  80          HG2       GLU  80  -1.935  11.830 -15.654
  645   2HG   GLU  80          HG3       GLU  80  -1.615  11.337 -13.992
  646    HA   PRO  81           HA       PRO  81  -7.394   8.156 -16.309
  647   1HB   PRO  81          HB3       PRO  81  -6.465   8.469 -19.101
  648   2HB   PRO  81          HB2       PRO  81  -8.075   8.705 -18.406
  649   1HG   PRO  81          HG2       PRO  81  -6.617  10.795 -19.088
  650   2HG   PRO  81          HG3       PRO  81  -7.540  10.808 -17.577
  651   1HD   PRO  81          HD3       PRO  81  -4.610  10.330 -17.992
  652   2HD   PRO  81          HD2       PRO  81  -5.423  11.337 -16.774
  653    H    GLY  82           HN       GLY  82  -4.089   7.624 -17.087
  654   1HA   GLY  82          HA1       GLY  82  -4.539   4.941 -18.131
  655   2HA   GLY  82          HA2       GLY  82  -2.981   5.719 -17.894
  656    H    LEU  83           HN       LEU  83  -4.426   6.294 -15.044
  657    HA   LEU  83           HA       LEU  83  -3.156   3.948 -13.831
  658   1HB   LEU  83          HB2       LEU  83  -2.483   6.248 -13.153
  659   2HB   LEU  83          HB3       LEU  83  -4.114   6.519 -12.572
  660    HG   LEU  83           HG       LEU  83  -3.790   4.614 -10.966
  661   1HD1  LEU  83          HD11      LEU  83  -1.865   3.661 -12.330
  662   2HD1  LEU  83          HD12      LEU  83  -0.867   4.899 -11.553
  663   3HD1  LEU  83          HD13      LEU  83  -1.682   3.686 -10.573
  664   1HD2  LEU  83          HD21      LEU  83  -2.077   7.078 -10.825
  665   2HD2  LEU  83          HD22      LEU  83  -3.668   6.818 -10.123
  666   3HD2  LEU  83          HD23      LEU  83  -2.248   5.971  -9.466
  667    HA   PRO  84           HA       PRO  84  -7.262   2.368 -12.946
  668   1HB   PRO  84          HB2       PRO  84  -6.462   0.163 -11.587
  669   2HB   PRO  84          HB3       PRO  84  -6.415   0.267 -13.354
  670   1HG   PRO  84          HG3       PRO  84  -4.226   0.572 -11.352
  671   2HG   PRO  84          HG2       PRO  84  -4.187  -0.194 -12.943
  672   1HD   PRO  84          HD2       PRO  84  -3.210   2.293 -12.408
  673   2HD   PRO  84          HD3       PRO  84  -3.769   1.766 -14.002
  674    H    SER  85           HN       SER  85  -8.620   2.349 -11.173
  675    HA   SER  85           HA       SER  85  -7.478   3.410  -8.679
  676   1HB   SER  85          HB3       SER  85  -9.910   4.072  -8.241
  677   2HB   SER  85          HB2       SER  85  -9.096   4.917  -9.557
  678    HG   SER  85           HG       SER  85 -11.079   4.285 -10.310
  679    H    PHE  86           HN       PHE  86  -7.681   2.372  -6.791
  680    HA   PHE  86           HA       PHE  86  -9.585   0.174  -6.569
  681   1HB   PHE  86          HB2       PHE  86  -8.072  -1.494  -6.118
  682   2HB   PHE  86          HB3       PHE  86  -7.201  -0.572  -7.331
  683    HD1  PHE  86           HD1      PHE  86  -7.430  -1.425  -3.816
  684    HD2  PHE  86           HD2      PHE  86  -5.160   0.577  -6.769
  685    HE1  PHE  86           HE1      PHE  86  -5.549  -1.235  -2.232
  686    HE2  PHE  86           HE2      PHE  86  -3.263   0.748  -5.225
  687    HZ   PHE  86           HZ       PHE  86  -3.458  -0.156  -2.925
  688    H    ARG  87           HN       ARG  87 -10.059  -0.438  -4.365
  689    HA   ARG  87           HA       ARG  87  -9.511   1.738  -2.468
  690   1HB   ARG  87          HB2       ARG  87 -11.810  -0.222  -2.580
  691   2HB   ARG  87          HB3       ARG  87 -11.649   1.099  -1.440
  692   1HG   ARG  87          HG3       ARG  87 -12.047   2.711  -3.061
  693   2HG   ARG  87          HG2       ARG  87 -11.703   1.604  -4.390
  694   1HD   ARG  87          HD2       ARG  87 -13.715   0.315  -3.807
  695   2HD   ARG  87          HD3       ARG  87 -14.075   1.478  -2.530
  696    HE   ARG  87           HE       ARG  87 -15.080   2.720  -4.122
  697   1HH1  ARG  87          HH12      ARG  87 -13.653   0.407  -6.515
  698   2HH1  ARG  87          HH11      ARG  87 -12.364   1.572  -6.688
  699   1HH2  ARG  87          HH21      ARG  87 -15.684   3.275  -6.313
  700   2HH2  ARG  87          HH22      ARG  87 -14.326   3.453  -7.372
  701    H    ILE  88           HN       ILE  88  -9.620   1.074  -0.169
  702    HA   ILE  88           HA       ILE  88  -8.888  -1.668   0.412
  703    HB   ILE  88           HB       ILE  88  -7.104  -0.696   2.082
  704   1HG1  ILE  88          HG12      ILE  88  -6.922   1.286  -0.199
  705   2HG1  ILE  88          HG13      ILE  88  -7.491   1.666   1.423
  706   1HG2  ILE  88          HG21      ILE  88  -5.630  -1.797   0.840
  707   2HG2  ILE  88          HG22      ILE  88  -7.017  -2.150  -0.197
  708   3HG2  ILE  88          HG23      ILE  88  -5.935  -0.821  -0.594
  709   1HD1  ILE  88          HD11      ILE  88  -5.375   1.531   2.342
  710   2HD1  ILE  88          HD12      ILE  88  -4.794   0.456   1.072
  711   3HD1  ILE  88          HD13      ILE  88  -5.014   2.175   0.735
  712    H    LYS  89           HN       LYS  89  -9.544  -2.345   2.578
  713    HA   LYS  89           HA       LYS  89 -10.462  -0.202   4.285
  714   1HB   LYS  89          HB3       LYS  89 -12.708  -0.941   4.555
  715   2HB   LYS  89          HB2       LYS  89 -12.431  -0.725   2.833
  716   1HG   LYS  89          HG2       LYS  89 -12.885  -2.866   2.391
  717   2HG   LYS  89          HG3       LYS  89 -11.903  -3.446   3.737
  718   1HD   LYS  89          HD3       LYS  89 -14.243  -4.081   4.032
  719   2HD   LYS  89          HD2       LYS  89 -13.720  -2.958   5.292
  720   1HE   LYS  89          HE2       LYS  89 -14.731  -1.103   4.090
  721   2HE   LYS  89          HE3       LYS  89 -15.310  -2.198   2.837
  722   1HZ   LYS  89          HZ1       LYS  89 -17.076  -1.744   4.370
  723   2HZ   LYS  89          HZ2       LYS  89 -16.106  -2.124   5.710
  724   3HZ   LYS  89          HZ3       LYS  89 -16.586  -3.344   4.623
  725    HA   PRO  90           HA       PRO  90  -9.025  -2.890   7.454
  726   1HB   PRO  90          HB3       PRO  90 -11.084  -2.003   9.322
  727   2HB   PRO  90          HB2       PRO  90  -9.361  -1.615   9.315
  728   1HG   PRO  90          HG2       PRO  90 -11.295   0.218   8.740
  729   2HG   PRO  90          HG3       PRO  90  -9.661   0.279   8.036
  730   1HD   PRO  90          HD2       PRO  90 -12.224  -0.713   6.842
  731   2HD   PRO  90          HD3       PRO  90 -10.924   0.237   6.092
  732    H    LYS  91           HN       LYS  91 -10.912  -4.216   5.754
  733    HA   LYS  91           HA       LYS  91 -12.692  -5.647   7.535
  734   1HB   LYS  91          HB2       LYS  91 -13.325  -5.041   5.136
  735   2HB   LYS  91          HB3       LYS  91 -12.214  -6.315   4.642
  736   1HG   LYS  91          HG3       LYS  91 -13.487  -7.894   6.088
  737   2HG   LYS  91          HG2       LYS  91 -14.696  -6.630   6.305
  738   1HD   LYS  91          HD3       LYS  91 -15.129  -6.593   3.935
  739   2HD   LYS  91          HD2       LYS  91 -13.835  -7.766   3.662
  740   1HE   LYS  91          HE2       LYS  91 -15.038  -9.399   5.052
  741   2HE   LYS  91          HE3       LYS  91 -16.343  -8.238   5.280
  742   1HZ   LYS  91          HZ1       LYS  91 -17.026  -9.672   3.558
  743   2HZ   LYS  91          HZ2       LYS  91 -15.521  -9.596   2.770
  744   3HZ   LYS  91          HZ3       LYS  91 -16.560  -8.250   2.785
  745    H    ASP  92           HN       ASP  92  -9.465  -5.904   6.605
  746    HA   ASP  92           HA       ASP  92  -9.481  -8.812   7.004
  747   1HB   ASP  92          HB3       ASP  92  -8.230  -7.852   5.033
  748   2HB   ASP  92          HB2       ASP  92  -7.128  -7.096   6.190
  749    H    PHE  93           HN       PHE  93  -9.688  -6.324   8.900
  750    HA   PHE  93           HA       PHE  93  -7.542  -7.072  10.721
  751   1HB   PHE  93          HB2       PHE  93  -9.313  -4.651  10.557
  752   2HB   PHE  93          HB3       PHE  93  -8.493  -5.067  12.057
  753    HD1  PHE  93           HD1      PHE  93  -5.890  -5.753  11.558
  754    HD2  PHE  93           HD2      PHE  93  -8.273  -3.072   9.287
  755    HE1  PHE  93           HE1      PHE  93  -3.872  -4.662  10.726
  756    HE2  PHE  93           HE2      PHE  93  -6.255  -1.938   8.511
  757    HZ   PHE  93           HZ       PHE  93  -4.042  -2.741   9.223
  758    H    GLU  94           HN       GLU  94  -9.736  -5.688  12.601
  759    HA   GLU  94           HA       GLU  94 -11.813  -7.435  13.138
  760   1HB   GLU  94          HB3       GLU  94 -10.088  -9.141  13.511
  761   2HB   GLU  94          HB2       GLU  94  -9.286  -8.094  14.672
  762   1HG   GLU  94          HG2       GLU  94 -11.309  -8.208  16.099
  763   2HG   GLU  94          HG3       GLU  94 -12.003  -9.362  14.959
  764    H    THR  95           HN       THR  95  -9.185  -6.251  15.198
  765    HA   THR  95           HA       THR  95 -10.742  -3.968  16.044
  766    HB   THR  95           HB       THR  95 -11.340  -5.901  17.539
  767    HG1  THR  95           HG1      THR  95 -11.751  -4.317  18.833
  768   1HG2  THR  95          HG21      THR  95  -8.806  -5.562  18.968
  769   2HG2  THR  95          HG22      THR  95  -8.785  -6.546  17.510
  770   3HG2  THR  95          HG23      THR  95  -9.877  -6.969  18.826
  771    H    SER  96           HN       SER  96  -8.300  -4.773  14.568
  772    HA   SER  96           HA       SER  96  -6.221  -3.453  16.157
  773   1HB   SER  96          HB3       SER  96  -5.450  -4.678  13.603
  774   2HB   SER  96          HB2       SER  96  -4.748  -4.902  15.208
  775    HG   SER  96           HG       SER  96  -5.792  -6.735  15.300
  776    H    GLU  97           HN       GLU  97  -8.038  -1.734  15.255
  777    HA   GLU  97           HA       GLU  97  -7.225  -0.613  12.697
  778   1HB   GLU  97          HB3       GLU  97  -9.626  -0.754  13.663
  779   2HB   GLU  97          HB2       GLU  97  -9.066   0.524  14.726
  780   1HG   GLU  97          HG2       GLU  97  -8.685   2.007  12.904
  781   2HG   GLU  97          HG3       GLU  97  -9.000   0.727  11.733
  782    H    TYR  98           HN       TYR  98  -5.534  -0.902  15.012
  783    HA   TYR  98           HA       TYR  98  -5.132   1.746  16.132
  784   1HB   TYR  98          HB2       TYR  98  -3.630  -0.856  16.510
  785   2HB   TYR  98          HB3       TYR  98  -3.073   0.663  17.200
  786    HD1  TYR  98           HD1      TYR  98  -6.017  -1.614  17.168
  787    HD2  TYR  98           HD2      TYR  98  -3.837   1.349  19.310
  788    HE1  TYR  98           HE1      TYR  98  -7.446  -1.995  19.146
  789    HE2  TYR  98           HE2      TYR  98  -5.235   0.934  21.287
  790    HH   TYR  98           HH       TYR  98  -7.028  -1.654  21.805
  791    H    VAL  99           HN       VAL  99  -3.488  -0.352  13.762
  792    HA   VAL  99           HA       VAL  99  -1.453   1.638  13.337
  793    HB   VAL  99           HB       VAL  99  -0.765   0.172  11.423
  794   1HG1  VAL  99          HG11      VAL  99  -0.056  -0.067  13.876
  795   2HG1  VAL  99          HG12      VAL  99  -1.046  -1.525  13.869
  796   3HG1  VAL  99          HG13      VAL  99   0.313  -1.369  12.747
  797   1HG2  VAL  99          HG21      VAL  99  -2.231  -2.168  12.155
  798   2HG2  VAL  99          HG22      VAL  99  -3.352  -0.880  11.714
  799   3HG2  VAL  99          HG23      VAL  99  -2.088  -1.381  10.586
  800    H    ARG 100           HN       ARG 100  -4.549   0.861  12.214
  801    HA   ARG 100           HA       ARG 100  -4.633   1.890   9.652
  802   1HB   ARG 100          HB2       ARG 100  -6.533   0.722  10.542
  803   2HB   ARG 100          HB3       ARG 100  -6.733   1.929  11.804
  804   1HG   ARG 100          HG3       ARG 100  -8.401   2.206  10.101
  805   2HG   ARG 100          HG2       ARG 100  -7.315   3.591  10.142
  806   1HD   ARG 100          HD3       ARG 100  -7.804   3.018   7.849
  807   2HD   ARG 100          HD2       ARG 100  -6.105   2.733   8.220
  808    HE   ARG 100           HE       ARG 100  -7.300   0.316   8.620
  809   1HH1  ARG 100          HH12      ARG 100  -8.104   2.252   5.742
  810   2HH1  ARG 100          HH11      ARG 100  -6.624   1.699   5.017
  811   1HH2  ARG 100          HH21      ARG 100  -8.124  -1.115   6.228
  812   2HH2  ARG 100          HH22      ARG 100  -6.391  -1.131   6.212
  813    H    LYS 101           HN       LYS 101  -4.667   3.629  12.709
  814    HA   LYS 101           HA       LYS 101  -5.404   6.146  11.638
  815   1HB   LYS 101          HB3       LYS 101  -4.219   5.209  14.203
  816   2HB   LYS 101          HB2       LYS 101  -4.138   6.925  13.822
  817   1HG   LYS 101          HG3       LYS 101  -6.095   6.300  15.184
  818   2HG   LYS 101          HG2       LYS 101  -6.517   7.071  13.655
  819   1HD   LYS 101          HD3       LYS 101  -6.954   4.861  12.677
  820   2HD   LYS 101          HD2       LYS 101  -6.570   4.100  14.222
  821   1HE   LYS 101          HE2       LYS 101  -8.926   4.221  14.196
  822   2HE   LYS 101          HE3       LYS 101  -8.421   5.572  15.212
  823   1HZ   LYS 101          HZ1       LYS 101  -9.187   5.757  12.339
  824   2HZ   LYS 101          HZ2       LYS 101  -8.679   7.048  13.317
  825   3HZ   LYS 101          HZ3       LYS 101 -10.128   6.251  13.661
  826    H    ALA 102           HN       ALA 102  -2.393   4.447  11.875
  827    HA   ALA 102           HA       ALA 102  -0.913   6.796  10.841
  828   1HB   ALA 102          HB1       ALA 102   1.047   5.826  11.587
  829   2HB   ALA 102          HB2       ALA 102  -0.094   5.189  12.762
  830   3HB   ALA 102          HB3       ALA 102   0.427   4.183  11.405
  831    H    TRP 103           HN       TRP 103  -2.800   4.689   9.600
  832    HA   TRP 103           HA       TRP 103  -1.131   3.959   7.293
  833   1HB   TRP 103          HB3       TRP 103  -3.687   2.831   8.329
  834   2HB   TRP 103          HB2       TRP 103  -3.473   2.859   6.583
  835    HD1  TRP 103           HD1      TRP 103  -2.290   1.077   9.702
  836    HE1  TRP 103           HE1      TRP 103  -0.743  -0.891   9.038
  837    HE3  TRP 103           HE3      TRP 103  -1.759   2.085   4.727
  838    HZ2  TRP 103           HZ2      TRP 103   0.522  -1.876   6.707
  839    HZ3  TRP 103           HZ3      TRP 103  -0.397   0.574   3.334
  840    HH2  TRP 103           HH2      TRP 103   0.738  -1.356   4.297
  841    H    LEU 104           HN       LEU 104  -3.407   6.194   8.401
  842    HA   LEU 104           HA       LEU 104  -4.474   7.006   5.871
  843   1HB   LEU 104          HB2       LEU 104  -4.554   8.010   8.657
  844   2HB   LEU 104          HB3       LEU 104  -4.817   9.188   7.389
  845    HG   LEU 104           HG       LEU 104  -6.697   7.826   6.533
  846   1HD1  LEU 104          HD11      LEU 104  -5.680   5.924   8.495
  847   2HD1  LEU 104          HD12      LEU 104  -7.431   6.145   8.556
  848   3HD1  LEU 104          HD13      LEU 104  -6.655   5.670   7.052
  849   1HD2  LEU 104          HD21      LEU 104  -6.707   8.793   9.359
  850   2HD2  LEU 104          HD22      LEU 104  -7.354   9.575   7.912
  851   3HD2  LEU 104          HD23      LEU 104  -8.160   8.154   8.601
  852    H    ARG 105           HN       ARG 105  -2.649   9.157   8.030
  853    HA   ARG 105           HA       ARG 105  -1.709  10.934   6.334
  854   1HB   ARG 105          HB3       ARG 105  -1.371  10.897   8.806
  855   2HB   ARG 105          HB2       ARG 105  -0.101   9.700   8.582
  856   1HG   ARG 105          HG3       ARG 105   1.106  11.327   7.169
  857   2HG   ARG 105          HG2       ARG 105  -0.083  12.550   7.622
  858   1HD   ARG 105          HD2       ARG 105   1.788  11.042   9.446
  859   2HD   ARG 105          HD3       ARG 105   1.865  12.749   9.033
  860    HE   ARG 105           HE       ARG 105  -0.624  12.243  10.241
  861   1HH1  ARG 105          HH11      ARG 105   2.574  11.455  11.673
  862   2HH1  ARG 105          HH12      ARG 105   2.683  13.095  12.244
  863   1HH2  ARG 105          HH21      ARG 105  -0.370  12.128  13.134
  864   2HH2  ARG 105          HH22      ARG 105  -0.042  13.810  12.860
  865    H    ASP 106           HN       ASP 106   0.028   7.845   6.944
  866    HA   ASP 106           HA       ASP 106   2.242   8.499   5.340
  867   1HB   ASP 106          HB2       ASP 106   1.206   6.034   6.570
  868   2HB   ASP 106          HB3       ASP 106   2.275   5.813   5.185
  869    H    ILE 107           HN       ILE 107  -0.908   7.540   4.502
  870    HA   ILE 107           HA       ILE 107  -0.203   6.636   1.838
  871    HB   ILE 107           HB       ILE 107  -2.641   6.686   3.500
  872   1HG1  ILE 107          HG13      ILE 107  -3.026   4.521   2.567
  873   2HG1  ILE 107          HG12      ILE 107  -1.869   4.798   1.269
  874   1HG2  ILE 107          HG21      ILE 107  -2.681   7.625   0.766
  875   2HG2  ILE 107          HG22      ILE 107  -3.758   6.251   1.053
  876   3HG2  ILE 107          HG23      ILE 107  -3.920   7.708   2.022
  877   1HD1  ILE 107          HD11      ILE 107  -0.144   4.061   2.522
  878   2HD1  ILE 107          HD12      ILE 107  -0.656   5.000   3.926
  879   3HD1  ILE 107          HD13      ILE 107  -1.377   3.421   3.612
  880    H    ALA 108           HN       ALA 108  -2.067   9.311   3.310
  881    HA   ALA 108           HA       ALA 108  -2.489  10.697   0.890
  882   1HB   ALA 108          HB1       ALA 108  -3.833  10.917   2.999
  883   2HB   ALA 108          HB2       ALA 108  -2.513  11.891   3.659
  884   3HB   ALA 108          HB3       ALA 108  -3.390  12.435   2.226
  885    H    GLU 109           HN       GLU 109   0.051  10.712   3.237
  886    HA   GLU 109           HA       GLU 109   1.744  12.267   1.524
  887   1HB   GLU 109          HB2       GLU 109   2.321  13.869   3.428
  888   2HB   GLU 109          HB3       GLU 109   0.817  14.150   2.565
  889   1HG   GLU 109          HG3       GLU 109  -0.426  13.072   4.373
  890   2HG   GLU 109          HG2       GLU 109   1.083  12.814   5.251
  891    H    GLU 110           HN       GLU 110   2.878  10.398   1.508
  892    HA   GLU 110           HA       GLU 110   3.711   8.746   3.506
  893   1HB   GLU 110          HB2       GLU 110   5.679   8.261   2.078
  894   2HB   GLU 110          HB3       GLU 110   4.177   8.323   1.154
  895   1HG   GLU 110          HG3       GLU 110   4.699  10.610   0.464
  896   2HG   GLU 110          HG2       GLU 110   6.222  10.537   1.345
  897    H    GLN 111           HN       GLN 111   5.393   8.617   4.924
  898    HA   GLN 111           HA       GLN 111   7.405  10.666   5.167
  899   1HB   GLN 111          HB2       GLN 111   5.187  10.468   7.149
  900   2HB   GLN 111          HB3       GLN 111   6.780  11.032   7.621
  901   1HG   GLN 111          HG3       GLN 111   6.571  12.751   5.776
  902   2HG   GLN 111          HG2       GLN 111   4.869  12.296   5.674
  903   1HE2  GLN 111          HE21      GLN 111   6.668  14.610   6.723
  904   2HE2  GLN 111          HE22      GLN 111   5.637  15.179   7.986
  905    H    GLU 112           HN       GLU 112   7.816   8.198   4.545
  906    HA   GLU 112           HA       GLU 112   8.180   6.359   6.634
  907   1HB   GLU 112          HB3       GLU 112   9.696   5.238   4.982
  908   2HB   GLU 112          HB2       GLU 112   8.076   5.596   4.392
  909   1HG   GLU 112          HG3       GLU 112   8.919   7.541   3.193
  910   2HG   GLU 112          HG2       GLU 112  10.540   7.224   3.813
  911    H    LYS 113           HN       LYS 113  10.265   8.853   5.212
  912    HA   LYS 113           HA       LYS 113  12.546   8.112   6.774
  913   1HB   LYS 113          HB2       LYS 113  11.887  10.518   5.094
  914   2HB   LYS 113          HB3       LYS 113  13.327  10.492   6.103
  915   1HG   LYS 113          HG2       LYS 113  14.008   9.869   3.934
  916   2HG   LYS 113          HG3       LYS 113  14.009   8.393   4.891
  917   1HD   LYS 113          HD3       LYS 113  13.078   7.937   2.719
  918   2HD   LYS 113          HD2       LYS 113  11.788   7.833   3.922
  919   1HE   LYS 113          HE2       LYS 113  10.947   9.038   2.032
  920   2HE   LYS 113          HE3       LYS 113  11.180  10.201   3.337
  921   1HZ   LYS 113          HZ1       LYS 113  12.382  10.123   0.760
  922   2HZ   LYS 113          HZ2       LYS 113  13.553  10.184   1.984
  923   3HZ   LYS 113          HZ3       LYS 113  12.347  11.372   1.888
  924    H    TYR 114           HN       TYR 114   9.744   9.975   7.200
  925    HA   TYR 114           HA       TYR 114   9.038  11.526   8.727
  926   1HB   TYR 114          HB3       TYR 114   8.652   9.186   9.645
  927   2HB   TYR 114          HB2       TYR 114  10.063   9.450  10.666
  928    HD1  TYR 114           HD1      TYR 114   7.041  11.473   9.750
  929    HD2  TYR 114           HD2      TYR 114   9.524   9.910  12.854
  930    HE1  TYR 114           HE1      TYR 114   5.647  12.568  11.413
  931    HE2  TYR 114           HE2      TYR 114   8.098  10.998  14.532
  932    HH   TYR 114           HH       TYR 114   6.566  12.965  14.652
  933    H    ALA 115           HN       ALA 115  11.004  12.854   8.030
  934    HA   ALA 115           HA       ALA 115  12.543  13.480  10.466
  935   1HB   ALA 115          HB1       ALA 115  13.635  12.472   8.186
  936   2HB   ALA 115          HB2       ALA 115  13.817  14.206   7.938
  937   3HB   ALA 115          HB3       ALA 115  14.492  13.452   9.378
  938    H    ALA 116           HN       ALA 116  12.531  15.582  11.086
  939    HA   ALA 116           HA       ALA 116  10.831  17.432   9.630
  940   1HB   ALA 116          HB1       ALA 116  11.126  17.062  12.227
  941   2HB   ALA 116          HB2       ALA 116  12.382  18.276  12.025
  942   3HB   ALA 116          HB3       ALA 116  10.715  18.647  11.560
  943    H    GLU 117           HN       GLU 117  12.536  17.140   7.833
  944    HA   GLU 117           HA       GLU 117  14.957  18.685   8.099
  945   1HB   GLU 117          HB3       GLU 117  13.643  17.509   5.633
  946   2HB   GLU 117          HB2       GLU 117  15.264  18.174   5.711
  947   1HG   GLU 117          HG2       GLU 117  15.907  16.406   7.280
  948   2HG   GLU 117          HG3       GLU 117  14.290  15.714   7.134
  949    H    ARG 118           HN       ARG 118  14.829  20.821   8.194
  950    HA   ARG 118           HA       ARG 118  12.646  22.276   6.961
  951   1HB   ARG 118          HB2       ARG 118  15.078  23.329   8.436
  952   2HB   ARG 118          HB3       ARG 118  13.642  24.248   8.000
  953   1HG   ARG 118          HG3       ARG 118  13.786  21.951   9.962
  954   2HG   ARG 118          HG2       ARG 118  13.504  23.656  10.334
  955   1HD   ARG 118          HD2       ARG 118  11.434  23.543   8.980
  956   2HD   ARG 118          HD3       ARG 118  11.716  21.818   8.760
  957    HE   ARG 118           HE       ARG 118  11.724  22.470  11.519
  958   1HH1  ARG 118          HH11      ARG 118   9.268  21.331   9.008
  959   2HH1  ARG 118          HH12      ARG 118   8.253  22.553   9.739
  960   1HH2  ARG 118          HH22      ARG 118   9.013  22.594  12.527
  961   2HH2  ARG 118          HH21      ARG 118   9.133  20.883  12.289
  962    H    ASP 119           HN       ASP 119  15.802  21.293   6.223
  963    HA   ASP 119           HA       ASP 119  15.697  22.627   3.638
  964   1HB   ASP 119          HB2       ASP 119  17.914  23.542   3.767
  965   2HB   ASP 119          HB3       ASP 119  17.073  24.074   5.218
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1   7.542  -0.750  19.609
    2   2H    MET   1          HT2       MET   1   6.360  -1.590  18.698
    3   3H    MET   1          HT3       MET   1   7.282  -0.335  17.966
    4    HA   MET   1           HA       MET   1   9.264  -1.619  18.235
    5   1HB   MET   1          HB3       MET   1   7.407  -3.794  19.199
    6   2HB   MET   1          HB2       MET   1   9.154  -3.898  19.057
    7   1HG   MET   1          HG3       MET   1   9.375  -2.169  20.790
    8   2HG   MET   1          HG2       MET   1   7.621  -2.154  20.963
    9   1HE   MET   1          HE1       MET   1  10.228  -5.830  22.008
   10   2HE   MET   1          HE2       MET   1  10.151  -5.089  20.410
   11   3HE   MET   1          HE3       MET   1  10.951  -4.246  21.734
   12    H    GLY   2           HN       GLY   2   9.871  -2.324  16.283
   13   1HA   GLY   2          HA1       GLY   2   9.750  -3.388  14.222
   14   2HA   GLY   2          HA2       GLY   2   8.146  -3.983  14.654
   15    H    ASP   3           HN       ASP   3   8.126  -0.809  15.333
   16    HA   ASP   3           HA       ASP   3   6.766  -0.163  12.834
   17   1HB   ASP   3          HB2       ASP   3   5.801   1.712  14.113
   18   2HB   ASP   3          HB3       ASP   3   5.494   0.158  14.881
   19    H    THR   4           HN       THR   4   9.755   0.194  14.166
   20    HA   THR   4           HA       THR   4  10.641   2.029  12.209
   21    HB   THR   4           HB       THR   4   9.583   3.671  13.678
   22    HG1  THR   4           HG1      THR   4  11.576   4.844  14.324
   23   1HG2  THR   4          HG21      THR   4  10.649   4.057  15.948
   24   2HG2  THR   4          HG22      THR   4  11.207   2.391  15.830
   25   3HG2  THR   4          HG23      THR   4   9.487   2.746  15.796
   26    H    GLY   5           HN       GLY   5  13.020   2.422  12.445
   27   1HA   GLY   5          HA1       GLY   5  15.145   1.839  13.277
   28   2HA   GLY   5          HA2       GLY   5  14.380   0.669  14.347
   29    H    LYS   6           HN       LYS   6  15.301  -1.230  13.877
   30    HA   LYS   6           HA       LYS   6  15.730  -1.940  11.069
   31   1HB   LYS   6          HB2       LYS   6  16.582  -3.317  13.628
   32   2HB   LYS   6          HB3       LYS   6  16.840  -3.986  12.027
   33   1HG   LYS   6          HG2       LYS   6  18.297  -2.199  11.426
   34   2HG   LYS   6          HG3       LYS   6  17.936  -1.325  12.914
   35   1HD   LYS   6          HD3       LYS   6  20.051  -2.343  13.229
   36   2HD   LYS   6          HD2       LYS   6  18.904  -3.304  14.160
   37   1HE   LYS   6          HE3       LYS   6  19.710  -4.015  11.361
   38   2HE   LYS   6          HE2       LYS   6  20.616  -4.558  12.773
   39   1HZ   LYS   6          HZ1       LYS   6  18.349  -5.427  13.567
   40   2HZ   LYS   6          HZ2       LYS   6  19.182  -6.290  12.363
   41   3HZ   LYS   6          HZ3       LYS   6  17.884  -5.285  11.938
   42    H    LEU   7           HN       LEU   7  14.664  -3.622  10.066
   43    HA   LEU   7           HA       LEU   7  12.927  -4.985   9.558
   44   1HB   LEU   7          HB2       LEU   7  13.994  -6.379  11.367
   45   2HB   LEU   7          HB3       LEU   7  12.875  -5.675  12.507
   46    HG   LEU   7           HG       LEU   7  10.997  -6.727  11.407
   47   1HD1  LEU   7          HD11      LEU   7  12.556  -8.336   9.530
   48   2HD1  LEU   7          HD12      LEU   7  11.010  -7.525   9.310
   49   3HD1  LEU   7          HD13      LEU   7  12.510  -6.619   9.135
   50   1HD2  LEU   7          HD21      LEU   7  13.343  -8.309  12.266
   51   2HD2  LEU   7          HD22      LEU   7  11.699  -8.298  12.892
   52   3HD2  LEU   7          HD23      LEU   7  12.068  -9.198  11.418
   53    H    GLY   8           HN       GLY   8  12.466  -2.278  10.027
   54   1HA   GLY   8          HA1       GLY   8   9.812  -2.241  11.324
   55   2HA   GLY   8          HA2       GLY   8  10.850  -0.834  11.093
   56    H    ARG   9           HN       ARG   9  11.659  -1.567   8.471
   57    HA   ARG   9           HA       ARG   9  11.120  -1.362   6.287
   58   1HB   ARG   9          HB3       ARG   9   8.366  -2.105   7.271
   59   2HB   ARG   9          HB2       ARG   9   8.710  -1.777   5.577
   60   1HG   ARG   9          HG2       ARG   9  10.393  -3.613   5.635
   61   2HG   ARG   9          HG3       ARG   9   9.863  -3.974   7.275
   62   1HD   ARG   9          HD3       ARG   9   7.619  -4.435   6.497
   63   2HD   ARG   9          HD2       ARG   9   8.067  -3.966   4.858
   64    HE   ARG   9           HE       ARG   9   9.809  -5.983   5.499
   65   1HH1  ARG   9          HH12      ARG   9   6.512  -6.337   6.523
   66   2HH1  ARG   9          HH11      ARG   9   5.993  -7.054   5.029
   67   1HH2  ARG   9          HH22      ARG   9   9.053  -8.057   4.059
   68   2HH2  ARG   9          HH21      ARG   9   8.102  -8.791   5.326
   69    H    ILE  10           HN       ILE  10  11.112   0.469   5.229
   70    HA   ILE  10           HA       ILE  10  10.444   2.924   6.325
   71    HB   ILE  10           HB       ILE  10  11.952   2.761   4.420
   72   1HG1  ILE  10          HG13      ILE  10  11.099   4.596   3.006
   73   2HG1  ILE  10          HG12      ILE  10   9.513   4.411   3.746
   74   1HG2  ILE  10          HG21      ILE  10  11.236   1.159   2.974
   75   2HG2  ILE  10          HG22      ILE  10   9.553   1.673   3.054
   76   3HG2  ILE  10          HG23      ILE  10  10.716   2.610   2.118
   77   1HD1  ILE  10          HD11      ILE  10  11.102   6.252   4.577
   78   2HD1  ILE  10          HD12      ILE  10  10.201   5.303   5.749
   79   3HD1  ILE  10          HD13      ILE  10  11.896   4.944   5.446
   80    H    ILE  11           HN       ILE  11   8.751   4.270   6.236
   81    HA   ILE  11           HA       ILE  11   6.653   5.022   6.201
   82    HB   ILE  11           HB       ILE  11   6.075   3.068   3.959
   83   1HG1  ILE  11          HG13      ILE  11   6.890   5.991   3.869
   84   2HG1  ILE  11          HG12      ILE  11   7.856   4.622   3.308
   85   1HG2  ILE  11          HG21      ILE  11   4.147   4.059   5.316
   86   2HG2  ILE  11          HG22      ILE  11   4.596   5.604   4.605
   87   3HG2  ILE  11          HG23      ILE  11   4.090   4.277   3.566
   88   1HD1  ILE  11          HD11      ILE  11   6.644   5.991   1.554
   89   2HD1  ILE  11          HD12      ILE  11   6.447   4.240   1.481
   90   3HD1  ILE  11          HD13      ILE  11   5.156   5.243   2.151
   91    H    ARG  12           HN       ARG  12   5.079   2.129   5.174
   92    HA   ARG  12           HA       ARG  12   4.906   1.006   7.850
   93   1HB   ARG  12          HB2       ARG  12   2.455   2.159   6.511
   94   2HB   ARG  12          HB3       ARG  12   2.439   1.141   7.935
   95   1HG   ARG  12          HG2       ARG  12   3.747   3.826   7.786
   96   2HG   ARG  12          HG3       ARG  12   2.129   3.511   8.418
   97   1HD   ARG  12          HD2       ARG  12   3.023   2.110  10.149
   98   2HD   ARG  12          HD3       ARG  12   4.651   2.282   9.494
   99    HE   ARG  12           HE       ARG  12   3.503   4.819  10.114
  100   1HH1  ARG  12          HH12      ARG  12   4.550   2.066  12.236
  101   2HH1  ARG  12          HH11      ARG  12   6.121   2.802  12.149
  102   1HH2  ARG  12          HH22      ARG  12   5.375   5.815  11.955
  103   2HH2  ARG  12          HH21      ARG  12   4.152   5.300  13.086
  104    H    HIS  13           HN       HIS  13   2.480  -0.328   7.469
  105    HA   HIS  13           HA       HIS  13   2.331  -1.813   5.037
  106   1HB   HIS  13          HB2       HIS  13   3.138  -3.977   5.752
  107   2HB   HIS  13          HB3       HIS  13   4.441  -2.807   5.951
  108    HD1  HIS  13           HD1      HIS  13   4.856  -2.002   8.518
  109    HD2  HIS  13           HD2      HIS  13   2.447  -5.352   8.002
  110    HE1  HIS  13           HE1      HIS  13   4.722  -3.104  10.778
  111    HE2  HIS  13           HE2      HIS  13   3.142  -5.040  10.470
  112    H    ASP  14           HN       ASP  14   0.463  -3.101   4.969
  113    HA   ASP  14           HA       ASP  14  -0.860  -3.896   7.388
  114   1HB   ASP  14          HB2       ASP  14  -1.507  -1.414   6.956
  115   2HB   ASP  14          HB3       ASP  14  -2.494  -2.066   5.655
  116    H    ALA  15           HN       ALA  15  -2.957  -5.007   6.865
  117    HA   ALA  15           HA       ALA  15  -2.868  -6.229   4.171
  118   1HB   ALA  15          HB1       ALA  15  -3.640  -8.368   5.349
  119   2HB   ALA  15          HB2       ALA  15  -1.943  -7.909   5.517
  120   3HB   ALA  15          HB3       ALA  15  -3.077  -7.604   6.837
  121    H    PHE  16           HN       PHE  16  -4.840  -6.695   3.201
  122    HA   PHE  16           HA       PHE  16  -7.293  -6.362   4.699
  123   1HB   PHE  16          HB3       PHE  16  -8.157  -4.569   3.301
  124   2HB   PHE  16          HB2       PHE  16  -6.685  -4.056   4.127
  125    HD1  PHE  16           HD1      PHE  16  -7.722  -5.666   0.976
  126    HD2  PHE  16           HD2      PHE  16  -5.100  -2.951   2.872
  127    HE1  PHE  16           HE1      PHE  16  -6.762  -5.087  -1.230
  128    HE2  PHE  16           HE2      PHE  16  -4.138  -2.348   0.698
  129    HZ   PHE  16           HZ       PHE  16  -4.958  -3.413  -1.362
  130    H    GLN  17           HN       GLN  17  -9.127  -6.188   2.857
  131    HA   GLN  17           HA       GLN  17  -8.712  -7.805   0.538
  132   1HB   GLN  17          HB3       GLN  17  -8.968  -9.621   2.173
  133   2HB   GLN  17          HB2       GLN  17 -10.448  -8.879   2.782
  134   1HG   GLN  17          HG2       GLN  17 -11.489  -9.236   0.571
  135   2HG   GLN  17          HG3       GLN  17 -10.024 -10.072   0.047
  136   1HE2  GLN  17          HE21      GLN  17 -13.042 -10.499   1.167
  137   2HE2  GLN  17          HE22      GLN  17 -12.890 -12.125   1.723
  138    H    VAL  18           HN       VAL  18  -9.451  -5.904  -0.441
  139    HA   VAL  18           HA       VAL  18 -12.331  -5.359  -0.126
  140    HB   VAL  18           HB       VAL  18 -11.198  -3.735   1.195
  141   1HG1  VAL  18          HG11      VAL  18  -9.163  -4.028  -0.763
  142   2HG1  VAL  18          HG12      VAL  18  -9.571  -2.321  -0.603
  143   3HG1  VAL  18          HG13      VAL  18  -9.087  -3.249   0.810
  144   1HG2  VAL  18          HG21      VAL  18 -12.172  -2.735  -1.442
  145   2HG2  VAL  18          HG22      VAL  18 -12.940  -2.639   0.146
  146   3HG2  VAL  18          HG23      VAL  18 -11.556  -1.607  -0.231
  147    H    TRP  19           HN       TRP  19 -13.313  -4.405  -1.853
  148    HA   TRP  19           HA       TRP  19 -13.178  -5.395  -4.294
  149   1HB   TRP  19          HB2       TRP  19 -13.915  -2.524  -3.724
  150   2HB   TRP  19          HB3       TRP  19 -14.523  -3.529  -5.036
  151    HD1  TRP  19           HD1      TRP  19 -16.253  -5.518  -4.331
  152    HE1  TRP  19           HE1      TRP  19 -17.914  -5.655  -2.371
  153    HE3  TRP  19           HE3      TRP  19 -14.190  -1.983  -1.262
  154    HZ2  TRP  19           HZ2      TRP  19 -18.286  -4.436   0.142
  155    HZ3  TRP  19           HZ3      TRP  19 -15.254  -1.532   0.916
  156    HH2  TRP  19           HH2      TRP  19 -17.263  -2.747   1.597
  157    H    GLU  20           HN       GLU  20 -11.647  -5.488  -5.818
  158    HA   GLU  20           HA       GLU  20  -9.831  -3.224  -6.229
  159   1HB   GLU  20          HB2       GLU  20  -9.554  -6.062  -6.349
  160   2HB   GLU  20          HB3       GLU  20  -9.361  -5.458  -7.982
  161   1HG   GLU  20          HG3       GLU  20  -7.848  -4.097  -5.828
  162   2HG   GLU  20          HG2       GLU  20  -7.323  -5.706  -6.314
  163    H    GLY  21           HN       GLY  21  -9.377  -3.095  -8.866
  164   1HA   GLY  21          HA2       GLY  21 -12.035  -2.549  -9.971
  165   2HA   GLY  21          HA1       GLY  21 -10.501  -1.947 -10.554
  166    H    ASP  22           HN       ASP  22  -9.051  -4.234 -10.819
  167    HA   ASP  22           HA       ASP  22  -9.964  -5.181 -13.345
  168   1HB   ASP  22          HB3       ASP  22  -7.544  -4.964 -12.519
  169   2HB   ASP  22          HB2       ASP  22  -7.825  -6.471 -11.649
  170    H    GLU  23           HN       GLU  23 -10.771  -6.004 -10.212
  171    HA   GLU  23           HA       GLU  23 -12.400  -8.209 -11.006
  172   1HB   GLU  23          HB3       GLU  23  -9.890  -9.043 -10.840
  173   2HB   GLU  23          HB2       GLU  23 -10.217  -9.037  -9.119
  174   1HG   GLU  23          HG3       GLU  23 -10.573 -11.251  -9.980
  175   2HG   GLU  23          HG2       GLU  23 -12.124 -10.564  -9.507
  176    HA   PRO  24           HA       PRO  24 -14.677  -7.045  -7.345
  177   1HB   PRO  24          HB3       PRO  24 -14.687  -9.978  -6.725
  178   2HB   PRO  24          HB2       PRO  24 -16.039  -8.830  -6.753
  179   1HG   PRO  24          HG3       PRO  24 -15.693 -10.533  -8.744
  180   2HG   PRO  24          HG2       PRO  24 -16.172  -8.854  -9.072
  181   1HD   PRO  24          HD2       PRO  24 -13.520 -10.176  -9.414
  182   2HD   PRO  24          HD3       PRO  24 -14.283  -8.916 -10.393
  183    HA   PRO  25           HA       PRO  25 -12.576  -6.841  -3.411
  184   1HB   PRO  25          HB3       PRO  25 -13.789  -8.987  -1.980
  185   2HB   PRO  25          HB2       PRO  25 -14.144  -7.270  -1.875
  186   1HG   PRO  25          HG2       PRO  25 -15.489  -9.393  -3.479
  187   2HG   PRO  25          HG3       PRO  25 -16.178  -7.939  -2.740
  188   1HD   PRO  25          HD3       PRO  25 -15.796  -8.051  -5.363
  189   2HD   PRO  25          HD2       PRO  25 -15.404  -6.556  -4.467
  190    H    LYS  26           HN       LYS  26 -10.551  -7.356  -3.510
  191    HA   LYS  26           HA       LYS  26  -9.768 -10.178  -3.674
  192   1HB   LYS  26          HB2       LYS  26  -8.650  -7.715  -4.862
  193   2HB   LYS  26          HB3       LYS  26  -7.630  -9.098  -4.617
  194   1HG   LYS  26          HG2       LYS  26 -10.219  -9.311  -6.100
  195   2HG   LYS  26          HG3       LYS  26  -8.739  -8.760  -6.895
  196   1HD   LYS  26          HD2       LYS  26  -7.626 -10.860  -6.085
  197   2HD   LYS  26          HD3       LYS  26  -9.226 -11.422  -5.583
  198   1HE   LYS  26          HE2       LYS  26  -9.973 -11.645  -7.744
  199   2HE   LYS  26          HE3       LYS  26  -8.859 -10.422  -8.361
  200   1HZ   LYS  26          HZ1       LYS  26  -8.152 -13.175  -7.493
  201   2HZ   LYS  26          HZ2       LYS  26  -7.046 -11.987  -8.002
  202   3HZ   LYS  26          HZ3       LYS  26  -8.192 -12.594  -9.085
  203    H    LEU  27           HN       LEU  27  -8.343 -10.991  -2.273
  204    HA   LEU  27           HA       LEU  27  -7.656  -9.463   0.064
  205   1HB   LEU  27          HB3       LEU  27  -8.250 -11.941  -0.033
  206   2HB   LEU  27          HB2       LEU  27  -6.664 -12.212  -0.729
  207    HG   LEU  27           HG       LEU  27  -6.929 -10.853   1.931
  208   1HD1  LEU  27          HD11      LEU  27  -7.938 -13.405   1.432
  209   2HD1  LEU  27          HD12      LEU  27  -6.349 -13.665   2.165
  210   3HD1  LEU  27          HD13      LEU  27  -7.561 -12.686   3.008
  211   1HD2  LEU  27          HD21      LEU  27  -4.803 -11.996   0.286
  212   2HD2  LEU  27          HD22      LEU  27  -4.732 -10.750   1.516
  213   3HD2  LEU  27          HD23      LEU  27  -4.734 -12.448   1.983
  214    H    ARG  28           HN       ARG  28  -6.054  -8.018  -0.021
  215    HA   ARG  28           HA       ARG  28  -3.580  -8.771  -1.405
  216   1HB   ARG  28          HB2       ARG  28  -4.836  -6.037  -1.672
  217   2HB   ARG  28          HB3       ARG  28  -3.418  -6.647  -2.522
  218   1HG   ARG  28          HG3       ARG  28  -5.016  -8.413  -3.491
  219   2HG   ARG  28          HG2       ARG  28  -6.301  -7.351  -2.925
  220   1HD   ARG  28          HD2       ARG  28  -5.821  -6.906  -5.245
  221   2HD   ARG  28          HD3       ARG  28  -5.367  -5.522  -4.259
  222    HE   ARG  28           HE       ARG  28  -3.050  -6.909  -4.451
  223   1HH1  ARG  28          HH11      ARG  28  -4.720  -7.149  -7.640
  224   2HH1  ARG  28          HH12      ARG  28  -4.967  -5.428  -7.392
  225   1HH2  ARG  28          HH22      ARG  28  -1.508  -5.762  -6.317
  226   2HH2  ARG  28          HH21      ARG  28  -1.997  -6.904  -7.533
  227    H    TYR  29           HN       TYR  29  -1.701  -7.920  -0.573
  228    HA   TYR  29           HA       TYR  29  -1.952  -6.681   2.082
  229   1HB   TYR  29          HB2       TYR  29   0.203  -8.422   0.873
  230   2HB   TYR  29          HB3       TYR  29   0.420  -7.552   2.383
  231    HD1  TYR  29           HD1      TYR  29   0.916 -10.209   2.777
  232    HD2  TYR  29           HD2      TYR  29  -2.928  -8.428   2.368
  233    HE1  TYR  29           HE1      TYR  29  -0.090 -12.097   3.996
  234    HE2  TYR  29           HE2      TYR  29  -3.935 -10.302   3.590
  235    HH   TYR  29           HH       TYR  29  -3.520 -12.079   4.890
  236    H    VAL  30           HN       VAL  30  -1.403  -4.646   2.242
  237    HA   VAL  30           HA       VAL  30   0.171  -3.466   0.065
  238    HB   VAL  30           HB       VAL  30  -1.853  -2.265   1.932
  239   1HG1  VAL  30          HG21      VAL  30  -1.368  -0.078   1.036
  240   2HG1  VAL  30          HG22      VAL  30   0.082  -0.728   1.809
  241   3HG1  VAL  30          HG23      VAL  30  -0.060  -0.736   0.046
  242   1HG2  VAL  30          HG11      VAL  30  -3.132  -2.749   0.199
  243   2HG2  VAL  30          HG12      VAL  30  -2.285  -1.464  -0.676
  244   3HG2  VAL  30          HG13      VAL  30  -1.737  -3.141  -0.820
  245    H    PHE  31           HN       PHE  31   2.136  -2.951   0.348
  246    HA   PHE  31           HA       PHE  31   3.091  -2.021   2.975
  247   1HB   PHE  31          HB2       PHE  31   4.801  -3.498   0.951
  248   2HB   PHE  31          HB3       PHE  31   5.230  -3.072   2.600
  249    HD1  PHE  31           HD1      PHE  31   3.286  -5.359   0.495
  250    HD2  PHE  31           HD2      PHE  31   4.585  -4.453   4.440
  251    HE1  PHE  31           HE1      PHE  31   2.562  -7.590   1.239
  252    HE2  PHE  31           HE2      PHE  31   3.871  -6.687   5.192
  253    HZ   PHE  31           HZ       PHE  31   2.856  -8.256   3.589
  254    H    LEU  32           HN       LEU  32   3.557   0.155   2.672
  255    HA   LEU  32           HA       LEU  32   4.226   0.910  -0.075
  256   1HB   LEU  32          HB2       LEU  32   3.761   2.880   2.142
  257   2HB   LEU  32          HB3       LEU  32   3.641   3.114   0.411
  258    HG   LEU  32           HG       LEU  32   1.644   1.576   2.097
  259   1HD1  LEU  32          HD11      LEU  32   0.448   3.481   2.231
  260   2HD1  LEU  32          HD12      LEU  32   2.003   4.276   1.965
  261   3HD1  LEU  32          HD13      LEU  32   0.901   4.008   0.614
  262   1HD2  LEU  32          HD21      LEU  32   1.240   2.478  -0.720
  263   2HD2  LEU  32          HD22      LEU  32   2.101   0.977  -0.411
  264   3HD2  LEU  32          HD23      LEU  32   0.454   1.178   0.171
  265    H    PHE  33           HN       PHE  33   6.266   1.289  -0.582
  266    HA   PHE  33           HA       PHE  33   8.147   1.872   1.611
  267   1HB   PHE  33          HB3       PHE  33   8.531   0.409  -1.010
  268   2HB   PHE  33          HB2       PHE  33   9.889   0.998  -0.060
  269    HD1  PHE  33           HD1      PHE  33   9.938  -1.747  -0.615
  270    HD2  PHE  33           HD2      PHE  33   7.727   0.242   2.428
  271    HE1  PHE  33           HE1      PHE  33   9.897  -3.817   0.708
  272    HE2  PHE  33           HE2      PHE  33   7.684  -1.830   3.750
  273    HZ   PHE  33           HZ       PHE  33   8.768  -3.858   2.890
  274    H    ARG  34           HN       ARG  34  10.180   3.103   0.570
  275    HA   ARG  34           HA       ARG  34   9.075   5.554  -0.478
  276   1HB   ARG  34          HB3       ARG  34  10.961   5.406   1.235
  277   2HB   ARG  34          HB2       ARG  34  12.000   4.922  -0.095
  278   1HG   ARG  34          HG2       ARG  34  11.440   7.062  -1.235
  279   2HG   ARG  34          HG3       ARG  34  10.561   7.546   0.217
  280   1HD   ARG  34          HD3       ARG  34  12.560   7.525   1.524
  281   2HD   ARG  34          HD2       ARG  34  13.476   6.752   0.231
  282    HE   ARG  34           HE       ARG  34  13.904   8.815  -0.599
  283   1HH1  ARG  34          HH11      ARG  34  12.056  10.086   2.126
  284   2HH1  ARG  34          HH12      ARG  34  10.639  10.148   1.120
  285   1HH2  ARG  34          HH21      ARG  34  12.892  11.024  -1.459
  286   2HH2  ARG  34          HH22      ARG  34  12.795  11.864   0.062
  287    H    ASN  35           HN       ASN  35   8.676   3.445  -2.196
  288    HA   ASN  35           HA       ASN  35  10.241   4.308  -4.520
  289   1HB   ASN  35          HB2       ASN  35   9.453   1.427  -4.004
  290   2HB   ASN  35          HB3       ASN  35  10.394   2.042  -5.361
  291   1HD2  ASN  35          HD21      ASN  35  12.520   2.046  -5.201
  292   2HD2  ASN  35          HD22      ASN  35  13.421   1.816  -3.733
  293    H    LYS  36           HN       LYS  36   7.541   2.245  -3.528
  294    HA   LYS  36           HA       LYS  36   5.563   3.806  -4.792
  295   1HB   LYS  36          HB2       LYS  36   4.929   2.246  -6.580
  296   2HB   LYS  36          HB3       LYS  36   6.556   2.857  -6.842
  297   1HG   LYS  36          HG3       LYS  36   7.415   0.737  -5.798
  298   2HG   LYS  36          HG2       LYS  36   5.754   0.140  -5.851
  299   1HD   LYS  36          HD2       LYS  36   5.705   0.450  -8.271
  300   2HD   LYS  36          HD3       LYS  36   7.363   1.051  -8.227
  301   1HE   LYS  36          HE2       LYS  36   8.046  -1.129  -7.220
  302   2HE   LYS  36          HE3       LYS  36   6.400  -1.701  -7.464
  303   1HZ   LYS  36          HZ1       LYS  36   6.857  -2.188  -9.549
  304   2HZ   LYS  36          HZ2       LYS  36   8.485  -1.836  -9.244
  305   3HZ   LYS  36          HZ3       LYS  36   7.464  -0.638  -9.868
  306    H    ILE  37           HN       ILE  37   3.619   1.999  -5.160
  307    HA   ILE  37           HA       ILE  37   3.215   0.976  -2.447
  308    HB   ILE  37           HB       ILE  37   1.329   1.111  -4.812
  309   1HG1  ILE  37          HG13      ILE  37   1.585   2.789  -2.313
  310   2HG1  ILE  37          HG12      ILE  37   1.908   3.310  -3.965
  311   1HG2  ILE  37          HG21      ILE  37  -0.100  -0.172  -3.697
  312   2HG2  ILE  37          HG22      ILE  37   1.149  -0.477  -2.504
  313   3HG2  ILE  37          HG23      ILE  37   0.031   0.863  -2.273
  314   1HD1  ILE  37          HD11      ILE  37  -0.652   2.947  -2.549
  315   2HD1  ILE  37          HD12      ILE  37  -0.167   4.154  -3.742
  316   3HD1  ILE  37          HD13      ILE  37  -0.619   2.529  -4.260
  317    H    MET  38           HN       MET  38   4.141  -0.951  -2.133
  318    HA   MET  38           HA       MET  38   4.217  -2.969  -4.215
  319   1HB   MET  38          HB3       MET  38   5.199  -3.058  -1.353
  320   2HB   MET  38          HB2       MET  38   5.512  -4.279  -2.575
  321   1HG   MET  38          HG3       MET  38   6.443  -1.422  -2.694
  322   2HG   MET  38          HG2       MET  38   7.427  -2.800  -2.207
  323   1HE   MET  38          HE1       MET  38   9.395  -2.808  -4.951
  324   2HE   MET  38          HE2       MET  38   8.688  -1.240  -5.349
  325   3HE   MET  38          HE3       MET  38   8.966  -1.681  -3.661
  326    H    PHE  39           HN       PHE  39   1.778  -3.109  -4.238
  327    HA   PHE  39           HA       PHE  39   0.870  -4.778  -2.002
  328   1HB   PHE  39          HB2       PHE  39  -1.380  -4.100  -2.364
  329   2HB   PHE  39          HB3       PHE  39  -0.392  -2.650  -2.304
  330    HD1  PHE  39           HD1      PHE  39   0.401  -1.809  -4.725
  331    HD2  PHE  39           HD2      PHE  39  -2.995  -4.227  -3.924
  332    HE1  PHE  39           HE1      PHE  39  -0.619  -1.074  -6.841
  333    HE2  PHE  39           HE2      PHE  39  -4.038  -3.489  -6.020
  334    HZ   PHE  39           HZ       PHE  39  -2.845  -1.911  -7.489
  335    H    THR  40           HN       THR  40   1.063  -6.795  -2.436
  336    HA   THR  40           HA       THR  40   0.838  -7.825  -5.117
  337    HB   THR  40           HB       THR  40   1.032 -10.021  -3.525
  338    HG1  THR  40           HG1      THR  40   2.053  -9.574  -1.674
  339   1HG2  THR  40          HG21      THR  40   3.627  -9.447  -3.556
  340   2HG2  THR  40          HG22      THR  40   3.076  -8.267  -4.749
  341   3HG2  THR  40          HG23      THR  40   2.751  -9.990  -4.991
  342    H    GLU  41           HN       GLU  41  -0.434 -10.118  -5.066
  343    HA   GLU  41           HA       GLU  41  -3.085  -9.598  -3.906
  344   1HB   GLU  41          HB2       GLU  41  -2.905  -8.983  -6.347
  345   2HB   GLU  41          HB3       GLU  41  -2.597 -10.681  -6.679
  346   1HG   GLU  41          HG3       GLU  41  -4.767 -11.280  -5.812
  347   2HG   GLU  41          HG2       GLU  41  -5.080  -9.596  -5.385
  348    H    GLN  42           HN       GLN  42  -4.112 -11.396  -3.082
  349    HA   GLN  42           HA       GLN  42  -2.835 -13.982  -3.586
  350   1HB   GLN  42          HB2       GLN  42  -3.489 -12.746  -0.932
  351   2HB   GLN  42          HB3       GLN  42  -3.368 -14.486  -1.113
  352   1HG   GLN  42          HG2       GLN  42  -1.065 -14.109  -2.075
  353   2HG   GLN  42          HG3       GLN  42  -1.218 -12.434  -1.558
  354   1HE2  GLN  42          HE21      GLN  42  -0.073 -15.403  -0.741
  355   2HE2  GLN  42          HE22      GLN  42  -0.007 -15.250   0.983
  356    H    ASP  43           HN       ASP  43  -4.206 -15.401  -4.332
  357    HA   ASP  43           HA       ASP  43  -7.032 -15.277  -3.539
  358   1HB   ASP  43          HB3       ASP  43  -5.895 -15.164  -6.185
  359   2HB   ASP  43          HB2       ASP  43  -6.749 -16.691  -6.017
  360    H    ALA  44           HN       ALA  44  -7.413 -16.970  -2.245
  361    HA   ALA  44           HA       ALA  44  -7.455 -19.086  -1.426
  362   1HB   ALA  44          HB1       ALA  44  -7.371 -20.754  -2.903
  363   2HB   ALA  44          HB2       ALA  44  -6.751 -19.606  -4.100
  364   3HB   ALA  44          HB3       ALA  44  -5.631 -20.529  -3.094
  365    H    SER  45           HN       SER  45  -5.455 -20.912  -0.903
  366    HA   SER  45           HA       SER  45  -3.278 -19.197   0.089
  367   1HB   SER  45          HB3       SER  45  -4.603 -21.477   1.580
  368   2HB   SER  45          HB2       SER  45  -3.223 -20.541   2.158
  369    HG   SER  45           HG       SER  45  -4.847 -18.684   1.650
  370    H    THR  46           HN       THR  46  -1.579 -19.660  -1.016
  371    HA   THR  46           HA       THR  46   0.078 -20.694  -2.116
  372    HB   THR  46           HB       THR  46   0.950 -22.830  -1.047
  373    HG1  THR  46           HG1      THR  46  -1.446 -22.672   0.161
  374   1HG2  THR  46          HG21      THR  46   1.132 -20.203  -0.186
  375   2HG2  THR  46          HG22      THR  46   2.172 -21.551   0.275
  376   3HG2  THR  46          HG23      THR  46   0.776 -21.132   1.269
  377    H    SER  47           HN       SER  47  -2.334 -20.995  -3.355
  378    HA   SER  47           HA       SER  47  -1.904 -23.530  -4.756
  379   1HB   SER  47          HB2       SER  47  -3.847 -23.756  -3.160
  380   2HB   SER  47          HB3       SER  47  -4.660 -22.475  -4.064
  381    HG   SER  47           HG       SER  47  -5.151 -23.859  -5.564
  382    HA   PRO  48           HA       PRO  48  -1.580 -21.025  -8.415
  383   1HB   PRO  48          HB2       PRO  48  -3.454 -23.131  -9.448
  384   2HB   PRO  48          HB3       PRO  48  -2.034 -22.417 -10.230
  385   1HG   PRO  48          HG3       PRO  48  -1.837 -24.791  -9.073
  386   2HG   PRO  48          HG2       PRO  48  -0.545 -23.598  -8.862
  387   1HD   PRO  48          HD2       PRO  48  -2.630 -24.490  -6.942
  388   2HD   PRO  48          HD3       PRO  48  -0.972 -23.939  -6.628
  389    HA   PRO  49           HA       PRO  49  -5.604 -19.015  -7.974
  390   1HB   PRO  49          HB3       PRO  49  -4.655 -16.583  -7.356
  391   2HB   PRO  49          HB2       PRO  49  -4.666 -17.904  -6.174
  392   1HG   PRO  49          HG3       PRO  49  -2.403 -16.656  -7.580
  393   2HG   PRO  49          HG2       PRO  49  -2.414 -17.625  -6.103
  394   1HD   PRO  49          HD2       PRO  49  -1.816 -18.462  -8.815
  395   2HD   PRO  49          HD3       PRO  49  -1.654 -19.386  -7.309
  396    H    SER  50           HN       SER  50  -5.918 -16.446  -8.631
  397    HA   SER  50           HA       SER  50  -5.022 -16.110 -11.391
  398   1HB   SER  50          HB3       SER  50  -7.874 -15.951 -10.388
  399   2HB   SER  50          HB2       SER  50  -7.359 -15.333 -11.955
  400    HG   SER  50           HG       SER  50  -7.030 -17.333 -12.674
  401    H    TYR  51           HN       TYR  51  -3.586 -14.784  -9.946
  402    HA   TYR  51           HA       TYR  51  -4.766 -12.349  -8.909
  403   1HB   TYR  51          HB2       TYR  51  -2.604 -11.865  -7.990
  404   2HB   TYR  51          HB3       TYR  51  -2.903 -13.578  -7.709
  405    HD1  TYR  51           HD1      TYR  51  -1.967 -15.107  -9.798
  406    HD2  TYR  51           HD2      TYR  51  -0.513 -11.291  -8.613
  407    HE1  TYR  51           HE1      TYR  51   0.181 -15.585 -10.903
  408    HE2  TYR  51           HE2      TYR  51   1.630 -11.755  -9.714
  409    HH   TYR  51           HH       TYR  51   2.571 -14.811 -10.716
  410    H    THR  52           HN       THR  52  -3.955 -10.225  -9.580
  411    HA   THR  52           HA       THR  52  -3.916  -9.996 -12.409
  412    HB   THR  52           HB       THR  52  -3.421  -7.559 -11.905
  413    HG1  THR  52           HG1      THR  52  -3.921  -8.293  -9.216
  414   1HG2  THR  52          HG21      THR  52  -5.781  -8.674 -11.939
  415   2HG2  THR  52          HG22      THR  52  -5.569  -7.025 -11.334
  416   3HG2  THR  52          HG23      THR  52  -5.724  -8.367 -10.197
  417    H    HIS  53           HN       HIS  53  -2.231  -9.183 -13.743
  418    HA   HIS  53           HA       HIS  53   0.277 -10.391 -13.211
  419   1HB   HIS  53          HB2       HIS  53  -0.509  -8.478 -15.416
  420   2HB   HIS  53          HB3       HIS  53   0.998  -9.373 -15.361
  421    HD1  HIS  53           HD1      HIS  53  -2.744 -10.058 -15.503
  422    HD2  HIS  53           HD2      HIS  53   0.877 -11.852 -16.483
  423    HE1  HIS  53           HE1      HIS  53  -3.337 -12.154 -16.755
  424    HE2  HIS  53           HE2      HIS  53  -1.133 -13.281 -17.243
  425    H    TYR  54           HN       TYR  54   0.867  -9.447 -11.248
  426    HA   TYR  54           HA       TYR  54   1.894  -7.996  -9.850
  427   1HB   TYR  54          HB3       TYR  54   3.439  -8.248 -12.256
  428   2HB   TYR  54          HB2       TYR  54   3.712  -6.670 -11.511
  429    HD1  TYR  54           HD1      TYR  54   3.312 -10.210 -10.439
  430    HD2  TYR  54           HD2      TYR  54   5.455  -6.567  -9.997
  431    HE1  TYR  54           HE1      TYR  54   4.779 -11.290  -8.796
  432    HE2  TYR  54           HE2      TYR  54   6.938  -7.633  -8.345
  433    HH   TYR  54           HH       TYR  54   7.001  -9.521  -6.846
  434    H    SER  55           HN       SER  55  -0.089  -6.754  -9.659
  435    HA   SER  55           HA       SER  55  -0.107  -4.208 -11.058
  436   1HB   SER  55          HB2       SER  55  -2.035  -5.376  -9.032
  437   2HB   SER  55          HB3       SER  55  -2.257  -3.838  -9.877
  438    HG   SER  55           HG       SER  55  -2.882  -6.294 -10.692
  439    H    SER  56           HN       SER  56   1.218  -2.717 -10.306
  440    HA   SER  56           HA       SER  56   1.287  -2.252  -7.409
  441   1HB   SER  56          HB3       SER  56   3.448  -3.197  -8.087
  442   2HB   SER  56          HB2       SER  56   3.600  -1.979  -9.354
  443    HG   SER  56           HG       SER  56   3.533  -1.518  -6.547
  444    H    ILE  57           HN       ILE  57   1.615   0.012  -6.841
  445    HA   ILE  57           HA       ILE  57   0.831   1.818  -9.026
  446    HB   ILE  57           HB       ILE  57  -0.272   1.656  -6.244
  447   1HG1  ILE  57          HG13      ILE  57  -1.476   1.725  -9.026
  448   2HG1  ILE  57          HG12      ILE  57  -1.423   0.351  -7.926
  449   1HG2  ILE  57          HG21      ILE  57  -0.849   3.830  -6.158
  450   2HG2  ILE  57          HG22      ILE  57   0.482   4.055  -7.306
  451   3HG2  ILE  57          HG23      ILE  57  -1.184   3.917  -7.885
  452   1HD1  ILE  57          HD11      ILE  57  -2.797   1.918  -6.368
  453   2HD1  ILE  57          HD12      ILE  57  -3.171   2.747  -7.881
  454   3HD1  ILE  57          HD13      ILE  57  -3.576   1.045  -7.680
  455    H    ARG  58           HN       ARG  58   2.553   2.998  -9.453
  456    HA   ARG  58           HA       ARG  58   4.628   3.611  -7.717
  457   1HB   ARG  58          HB2       ARG  58   5.456   5.127  -9.346
  458   2HB   ARG  58          HB3       ARG  58   4.704   3.804 -10.221
  459   1HG   ARG  58          HG3       ARG  58   3.320   6.418  -9.687
  460   2HG   ARG  58          HG2       ARG  58   4.298   6.112 -11.122
  461   1HD   ARG  58          HD2       ARG  58   1.847   4.557 -10.288
  462   2HD   ARG  58          HD3       ARG  58   1.910   5.775 -11.560
  463    HE   ARG  58           HE       ARG  58   2.670   3.047 -11.776
  464   1HH1  ARG  58          HH11      ARG  58   2.708   5.857 -14.064
  465   2HH1  ARG  58          HH12      ARG  58   4.400   5.990 -13.681
  466   1HH2  ARG  58          HH22      ARG  58   3.999   2.323 -13.538
  467   2HH2  ARG  58          HH21      ARG  58   4.257   3.450 -14.840
  468    H    LEU  59           HN       LEU  59   5.105   5.240  -6.387
  469    HA   LEU  59           HA       LEU  59   3.005   6.674  -5.127
  470   1HB   LEU  59          HB2       LEU  59   5.713   6.036  -4.700
  471   2HB   LEU  59          HB3       LEU  59   5.503   7.765  -4.469
  472    HG   LEU  59           HG       LEU  59   5.213   6.493  -2.410
  473   1HD1  LEU  59          HD21      LEU  59   2.514   7.285  -2.480
  474   2HD1  LEU  59          HD22      LEU  59   3.892   8.118  -1.750
  475   3HD1  LEU  59          HD23      LEU  59   3.473   8.429  -3.439
  476   1HD2  LEU  59          HD11      LEU  59   2.938   5.261  -2.265
  477   2HD2  LEU  59          HD12      LEU  59   3.190   5.055  -4.002
  478   3HD2  LEU  59          HD13      LEU  59   4.369   4.429  -2.849
  479    H    ASP  60           HN       ASP  60   5.296   7.331  -7.606
  480    HA   ASP  60           HA       ASP  60   5.566  10.032  -7.666
  481   1HB   ASP  60          HB2       ASP  60   6.663   8.272  -9.110
  482   2HB   ASP  60          HB3       ASP  60   5.230   8.382 -10.128
  483    H    LYS  61           HN       LYS  61   2.934   8.250  -9.394
  484    HA   LYS  61           HA       LYS  61   1.583  10.852  -9.462
  485   1HB   LYS  61          HB3       LYS  61   2.077   8.993 -11.747
  486   2HB   LYS  61          HB2       LYS  61   0.756  10.153 -11.788
  487   1HG   LYS  61          HG3       LYS  61   2.294  11.987 -11.536
  488   2HG   LYS  61          HG2       LYS  61   3.651  10.870 -11.340
  489   1HD   LYS  61          HD3       LYS  61   1.922  11.116 -13.792
  490   2HD   LYS  61          HD2       LYS  61   3.530  11.814 -13.607
  491   1HE   LYS  61          HE2       LYS  61   4.442   9.546 -13.267
  492   2HE   LYS  61          HE3       LYS  61   2.828   8.882 -13.561
  493   1HZ   LYS  61          HZ1       LYS  61   3.329   8.883 -15.700
  494   2HZ   LYS  61          HZ2       LYS  61   4.792   9.706 -15.432
  495   3HZ   LYS  61          HZ3       LYS  61   3.360  10.578 -15.671
  496    H    TYR  62           HN       TYR  62   0.515   9.732  -7.560
  497    HA   TYR  62           HA       TYR  62  -2.065   8.938  -8.535
  498   1HB   TYR  62          HB3       TYR  62  -2.322   6.875  -7.560
  499   2HB   TYR  62          HB2       TYR  62  -0.626   6.782  -8.001
  500    HD1  TYR  62           HD1      TYR  62   1.102   7.371  -6.126
  501    HD2  TYR  62           HD2      TYR  62  -3.000   6.507  -5.383
  502    HE1  TYR  62           HE1      TYR  62   1.621   6.910  -3.763
  503    HE2  TYR  62           HE2      TYR  62  -2.491   6.052  -3.030
  504    HH   TYR  62           HH       TYR  62  -0.919   6.220  -1.406
  505    H    ASN  63           HN       ASN  63  -3.700   9.607  -7.179
  506    HA   ASN  63           HA       ASN  63  -2.798  11.256  -4.924
  507   1HB   ASN  63          HB2       ASN  63  -5.462  11.258  -6.380
  508   2HB   ASN  63          HB3       ASN  63  -5.019  12.332  -5.050
  509   1HD2  ASN  63          HD21      ASN  63  -4.173  14.207  -5.532
  510   2HD2  ASN  63          HD22      ASN  63  -3.270  14.579  -6.967
  511    H    ILE  64           HN       ILE  64  -2.951  10.377  -2.993
  512    HA   ILE  64           HA       ILE  64  -4.835   8.180  -2.651
  513    HB   ILE  64           HB       ILE  64  -2.530   7.713  -2.098
  514   1HG1  ILE  64          HG12      ILE  64  -2.869   6.890   0.255
  515   2HG1  ILE  64          HG13      ILE  64  -4.421   7.741   0.258
  516   1HG2  ILE  64          HG21      ILE  64  -2.060  10.125  -1.314
  517   2HG2  ILE  64          HG22      ILE  64  -2.604   9.550   0.262
  518   3HG2  ILE  64          HG23      ILE  64  -1.225   8.796  -0.528
  519   1HD1  ILE  64          HD11      ILE  64  -4.388   6.193  -2.079
  520   2HD1  ILE  64          HD12      ILE  64  -3.744   5.162  -0.799
  521   3HD1  ILE  64          HD13      ILE  64  -5.327   5.917  -0.614
  522    H    ARG  65           HN       ARG  65  -6.766   8.794  -2.067
  523    HA   ARG  65           HA       ARG  65  -7.038  10.892  -0.024
  524   1HB   ARG  65          HB3       ARG  65  -9.223   9.827  -1.820
  525   2HB   ARG  65          HB2       ARG  65  -9.248  11.289  -0.834
  526   1HG   ARG  65          HG2       ARG  65  -7.592  10.799  -3.308
  527   2HG   ARG  65          HG3       ARG  65  -8.996  11.864  -3.150
  528   1HD   ARG  65          HD2       ARG  65  -6.368  12.213  -1.721
  529   2HD   ARG  65          HD3       ARG  65  -6.913  13.132  -3.123
  530    HE   ARG  65           HE       ARG  65  -8.847  13.361  -1.120
  531   1HH1  ARG  65          HH11      ARG  65  -5.404  14.244  -0.429
  532   2HH1  ARG  65          HH12      ARG  65  -5.678  15.559  -1.553
  533   1HH2  ARG  65          HH22      ARG  65  -8.447  16.288  -0.420
  534   2HH2  ARG  65          HH21      ARG  65  -8.025  15.287   0.948
  535    H    GLN  66           HN       GLN  66  -9.084  10.478   1.426
  536    HA   GLN  66           HA       GLN  66  -9.628   7.674   1.886
  537   1HB   GLN  66          HB3       GLN  66  -8.685   7.448   4.042
  538   2HB   GLN  66          HB2       GLN  66  -7.412   8.128   3.043
  539   1HG   GLN  66          HG3       GLN  66  -9.158   9.766   4.860
  540   2HG   GLN  66          HG2       GLN  66  -7.614   9.082   5.346
  541   1HE2  GLN  66          HE21      GLN  66  -8.990  11.818   4.500
  542   2HE2  GLN  66          HE22      GLN  66  -7.550  12.652   4.030
  543    H    HIS  67           HN       HIS  67 -11.413   7.290   3.128
  544    HA   HIS  67           HA       HIS  67 -12.893   9.643   4.096
  545   1HB   HIS  67          HB3       HIS  67 -13.918   7.129   2.753
  546   2HB   HIS  67          HB2       HIS  67 -14.956   8.303   3.556
  547    HD1  HIS  67           HD1      HIS  67 -14.529  10.893   2.490
  548    HD2  HIS  67           HD2      HIS  67 -13.724   7.568   0.132
  549    HE1  HIS  67           HE1      HIS  67 -14.626  11.704   0.111
  550    HE2  HIS  67           HE2      HIS  67 -13.836   9.740  -1.266
  551    H    THR  68           HN       THR  68 -12.203   9.405   6.213
  552    HA   THR  68           HA       THR  68 -12.232   6.843   7.501
  553    HB   THR  68           HB       THR  68 -11.869   8.597   9.515
  554    HG1  THR  68           HG1      THR  68 -10.412  10.182   8.140
  555   1HG2  THR  68          HG21      THR  68  -9.706   8.052   7.511
  556   2HG2  THR  68          HG22      THR  68 -10.285   6.859   8.678
  557   3HG2  THR  68          HG23      THR  68  -9.534   8.354   9.240
  558    H    THR  69           HN       THR  69 -13.156   8.687   9.922
  559    HA   THR  69           HA       THR  69 -14.917   8.870  11.257
  560    HB   THR  69           HB       THR  69 -17.207   9.268  10.279
  561    HG1  THR  69           HG1      THR  69 -16.060   8.381   8.044
  562   1HG2  THR  69          HG21      THR  69 -16.515  11.341  10.569
  563   2HG2  THR  69          HG22      THR  69 -16.126  11.349   8.854
  564   3HG2  THR  69          HG23      THR  69 -14.882  10.957  10.037
  565    H    ASP  70           HN       ASP  70 -14.338   6.837  11.952
  566    HA   ASP  70           HA       ASP  70 -14.999   4.883  12.902
  567   1HB   ASP  70          HB3       ASP  70 -17.403   5.165  11.105
  568   2HB   ASP  70          HB2       ASP  70 -17.114   3.713  12.056
  569    H    GLU  71           HN       GLU  71 -16.215   4.256   9.627
  570    HA   GLU  71           HA       GLU  71 -14.235   2.142   9.435
  571   1HB   GLU  71          HB3       GLU  71 -16.678   2.781   7.800
  572   2HB   GLU  71          HB2       GLU  71 -15.522   1.543   7.329
  573   1HG   GLU  71          HG3       GLU  71 -16.941   1.588   9.972
  574   2HG   GLU  71          HG2       GLU  71 -17.525   0.711   8.559
  575    H    ASP  72           HN       ASP  72 -12.413   2.992   9.030
  576    HA   ASP  72           HA       ASP  72 -11.896   5.203   7.369
  577   1HB   ASP  72          HB3       ASP  72  -9.971   3.068   8.282
  578   2HB   ASP  72          HB2       ASP  72  -9.555   4.678   7.715
  579    H    THR  73           HN       THR  73 -12.482   5.019   5.258
  580    HA   THR  73           HA       THR  73 -11.450   2.724   3.740
  581    HB   THR  73           HB       THR  73 -13.558   4.767   3.003
  582    HG1  THR  73           HG1      THR  73 -14.872   3.447   3.900
  583   1HG2  THR  73          HG21      THR  73 -13.540   2.372   1.391
  584   2HG2  THR  73          HG22      THR  73 -12.052   3.296   1.216
  585   3HG2  THR  73          HG23      THR  73 -13.609   4.066   0.910
  586    H    ILE  74           HN       ILE  74  -9.626   3.032   2.663
  587    HA   ILE  74           HA       ILE  74  -8.801   5.768   1.973
  588    HB   ILE  74           HB       ILE  74  -7.057   3.359   1.573
  589   1HG1  ILE  74          HG12      ILE  74  -7.903   3.118   3.855
  590   2HG1  ILE  74          HG13      ILE  74  -6.204   3.596   3.877
  591   1HG2  ILE  74          HG21      ILE  74  -5.950   5.184   0.760
  592   2HG2  ILE  74          HG22      ILE  74  -6.712   6.288   1.907
  593   3HG2  ILE  74          HG23      ILE  74  -5.406   5.228   2.434
  594   1HD1  ILE  74          HD11      ILE  74  -6.808   5.176   5.318
  595   2HD1  ILE  74          HD12      ILE  74  -7.597   5.990   3.960
  596   3HD1  ILE  74          HD13      ILE  74  -8.520   4.904   5.000
  597    H    VAL  75           HN       VAL  75  -8.478   6.357  -0.226
  598    HA   VAL  75           HA       VAL  75  -9.140   4.271  -2.181
  599    HB   VAL  75           HB       VAL  75 -10.418   5.920  -3.468
  600   1HG1  VAL  75          HG11      VAL  75 -11.492   5.637  -0.667
  601   2HG1  VAL  75          HG12      VAL  75 -12.435   5.880  -2.136
  602   3HG1  VAL  75          HG13      VAL  75 -11.552   4.366  -1.895
  603   1HG2  VAL  75          HG21      VAL  75 -10.027   7.702  -1.082
  604   2HG2  VAL  75          HG22      VAL  75  -9.411   7.966  -2.702
  605   3HG2  VAL  75          HG23      VAL  75 -11.143   8.021  -2.403
  606    H    LEU  76           HN       LEU  76  -7.935   4.213  -3.973
  607    HA   LEU  76           HA       LEU  76  -5.804   6.210  -4.204
  608   1HB   LEU  76          HB2       LEU  76  -6.021   3.478  -5.463
  609   2HB   LEU  76          HB3       LEU  76  -4.659   4.567  -5.625
  610    HG   LEU  76           HG       LEU  76  -4.486   4.414  -3.057
  611   1HD1  LEU  76          HD11      LEU  76  -6.641   2.531  -3.581
  612   2HD1  LEU  76          HD12      LEU  76  -5.308   1.826  -2.656
  613   3HD1  LEU  76          HD13      LEU  76  -6.127   3.275  -2.068
  614   1HD2  LEU  76          HD21      LEU  76  -3.071   2.464  -3.190
  615   2HD2  LEU  76          HD22      LEU  76  -3.839   1.981  -4.707
  616   3HD2  LEU  76          HD23      LEU  76  -2.870   3.455  -4.636
  617    H    GLN  77           HN       GLN  77  -6.171   7.784  -5.571
  618    HA   GLN  77           HA       GLN  77  -7.804   7.243  -7.967
  619   1HB   GLN  77          HB2       GLN  77  -7.188   9.904  -6.648
  620   2HB   GLN  77          HB3       GLN  77  -8.265   9.646  -8.013
  621   1HG   GLN  77          HG2       GLN  77  -9.747   8.317  -6.563
  622   2HG   GLN  77          HG3       GLN  77  -8.679   8.640  -5.203
  623   1HE2  GLN  77          HE21      GLN  77 -11.503   9.465  -6.367
  624   2HE2  GLN  77          HE22      GLN  77 -11.549  11.182  -6.152
  625    HA   PRO  78           HA       PRO  78  -3.827   7.795  -9.956
  626   1HB   PRO  78          HB2       PRO  78  -4.614   7.179 -12.456
  627   2HB   PRO  78          HB3       PRO  78  -4.397   5.944 -11.210
  628   1HG   PRO  78          HG3       PRO  78  -6.916   7.263 -12.157
  629   2HG   PRO  78          HG2       PRO  78  -6.610   5.545 -11.838
  630   1HD   PRO  78          HD2       PRO  78  -7.868   7.163 -10.060
  631   2HD   PRO  78          HD3       PRO  78  -6.865   5.795  -9.559
  632    H    GLN  79           HN       GLN  79  -2.867   9.421 -11.037
  633    HA   GLN  79           HA       GLN  79  -4.622  11.518 -12.154
  634   1HB   GLN  79          HB3       GLN  79  -2.899  13.148 -11.659
  635   2HB   GLN  79          HB2       GLN  79  -3.276  12.269 -10.184
  636   1HG   GLN  79          HG3       GLN  79  -1.288  10.888 -10.502
  637   2HG   GLN  79          HG2       GLN  79  -0.909  11.778 -11.969
  638   1HE2  GLN  79          HE21      GLN  79   0.308  13.542 -11.795
  639   2HE2  GLN  79          HE22      GLN  79   0.532  14.473 -10.364
  640    H    GLU  80           HN       GLU  80  -2.683   9.024 -12.878
  641    HA   GLU  80           HA       GLU  80  -1.632  10.193 -15.365
  642   1HB   GLU  80          HB3       GLU  80   0.037   9.142 -13.832
  643   2HB   GLU  80          HB2       GLU  80  -0.864   7.639 -13.914
  644   1HG   GLU  80          HG2       GLU  80  -0.440   7.547 -16.336
  645   2HG   GLU  80          HG3       GLU  80   0.555   8.999 -16.195
  646    HA   PRO  81           HA       PRO  81  -4.763   7.851 -17.548
  647   1HB   PRO  81          HB3       PRO  81  -2.718   7.466 -19.664
  648   2HB   PRO  81          HB2       PRO  81  -4.320   8.200 -19.776
  649   1HG   PRO  81          HG3       PRO  81  -2.133   9.715 -19.857
  650   2HG   PRO  81          HG2       PRO  81  -3.569  10.247 -18.963
  651   1HD   PRO  81          HD3       PRO  81  -1.044   9.017 -17.919
  652   2HD   PRO  81          HD2       PRO  81  -1.952  10.402 -17.289
  653    H    GLY  82           HN       GLY  82  -5.290   5.765 -17.162
  654   1HA   GLY  82          HA1       GLY  82  -4.809   3.401 -17.713
  655   2HA   GLY  82          HA2       GLY  82  -3.139   3.734 -17.272
  656    H    LEU  83           HN       LEU  83  -2.508   3.638 -15.228
  657    HA   LEU  83           HA       LEU  83  -2.843   2.257 -13.250
  658   1HB   LEU  83          HB3       LEU  83  -1.878   4.606 -13.137
  659   2HB   LEU  83          HB2       LEU  83  -3.447   5.107 -12.531
  660    HG   LEU  83           HG       LEU  83  -3.171   3.569 -10.617
  661   1HD1  LEU  83          HD11      LEU  83  -0.565   2.996 -11.988
  662   2HD1  LEU  83          HD12      LEU  83  -0.740   2.796 -10.251
  663   3HD1  LEU  83          HD13      LEU  83  -1.745   1.860 -11.351
  664   1HD2  LEU  83          HD21      LEU  83  -1.591   5.926 -11.200
  665   2HD2  LEU  83          HD22      LEU  83  -2.480   5.503  -9.740
  666   3HD2  LEU  83          HD23      LEU  83  -0.842   4.906  -9.983
  667    HA   PRO  84           HA       PRO  84  -7.218   1.424 -12.732
  668   1HB   PRO  84          HB2       PRO  84  -6.172  -0.440 -10.723
  669   2HB   PRO  84          HB3       PRO  84  -7.217  -0.750 -12.108
  670   1HG   PRO  84          HG2       PRO  84  -4.641  -1.505 -12.086
  671   2HG   PRO  84          HG3       PRO  84  -5.443  -0.961 -13.557
  672   1HD   PRO  84          HD2       PRO  84  -3.516   0.490 -11.815
  673   2HD   PRO  84          HD3       PRO  84  -3.700   0.540 -13.581
  674    H    SER  85           HN       SER  85  -8.777   1.598 -11.114
  675    HA   SER  85           HA       SER  85  -7.878   3.036  -8.701
  676   1HB   SER  85          HB2       SER  85 -10.571   3.343 -10.032
  677   2HB   SER  85          HB3       SER  85  -9.869   4.345  -8.767
  678    HG   SER  85           HG       SER  85  -8.295   4.159 -10.990
  679    H    PHE  86           HN       PHE  86  -8.121   1.892  -6.951
  680    HA   PHE  86           HA       PHE  86 -10.567   0.343  -6.574
  681   1HB   PHE  86          HB3       PHE  86  -9.456  -1.590  -5.805
  682   2HB   PHE  86          HB2       PHE  86  -8.623  -1.147  -7.285
  683    HD1  PHE  86           HD1      PHE  86  -6.560   0.618  -6.747
  684    HD2  PHE  86           HD2      PHE  86  -8.129  -2.381  -4.160
  685    HE1  PHE  86           HE1      PHE  86  -4.404   0.497  -5.578
  686    HE2  PHE  86           HE2      PHE  86  -5.977  -2.485  -2.975
  687    HZ   PHE  86           HZ       PHE  86  -4.106  -1.054  -3.689
  688    H    ARG  87           HN       ARG  87 -11.200   0.187  -4.350
  689    HA   ARG  87           HA       ARG  87  -9.842   2.201  -2.688
  690   1HB   ARG  87          HB3       ARG  87 -12.610   1.140  -2.143
  691   2HB   ARG  87          HB2       ARG  87 -11.865   2.579  -1.496
  692   1HG   ARG  87          HG3       ARG  87 -13.370   3.429  -3.028
  693   2HG   ARG  87          HG2       ARG  87 -11.865   3.402  -3.949
  694   1HD   ARG  87          HD3       ARG  87 -12.491   1.385  -5.050
  695   2HD   ARG  87          HD2       ARG  87 -13.901   1.197  -4.015
  696    HE   ARG  87           HE       ARG  87 -14.108   3.651  -5.369
  697   1HH1  ARG  87          HH12      ARG  87 -13.939   0.307  -6.869
  698   2HH1  ARG  87          HH11      ARG  87 -15.513   0.256  -6.135
  699   1HH2  ARG  87          HH22      ARG  87 -15.077   3.499  -7.907
  700   2HH2  ARG  87          HH21      ARG  87 -16.515   2.888  -7.126
  701    H    ILE  88           HN       ILE  88  -9.600   1.717  -0.381
  702    HA   ILE  88           HA       ILE  88  -9.608  -1.175   0.127
  703    HB   ILE  88           HB       ILE  88  -7.453  -0.881   1.409
  704   1HG1  ILE  88          HG12      ILE  88  -7.252   1.640  -0.251
  705   2HG1  ILE  88          HG13      ILE  88  -7.585   1.622   1.479
  706   1HG2  ILE  88          HG21      ILE  88  -6.095  -1.185  -0.558
  707   2HG2  ILE  88          HG22      ILE  88  -7.666  -1.954  -0.823
  708   3HG2  ILE  88          HG23      ILE  88  -7.299  -0.398  -1.564
  709   1HD1  ILE  88          HD11      ILE  88  -5.138   1.893   0.408
  710   2HD1  ILE  88          HD12      ILE  88  -5.447   1.233   2.008
  711   3HD1  ILE  88          HD13      ILE  88  -5.191   0.146   0.646
  712    H    LYS  89           HN       LYS  89 -10.216  -1.864   2.029
  713    HA   LYS  89           HA       LYS  89 -10.645   0.067   4.173
  714   1HB   LYS  89          HB3       LYS  89 -12.774  -1.025   4.735
  715   2HB   LYS  89          HB2       LYS  89 -12.831  -0.352   3.109
  716   1HG   LYS  89          HG2       LYS  89 -12.854  -2.409   2.098
  717   2HG   LYS  89          HG3       LYS  89 -12.117  -3.216   3.478
  718   1HD   LYS  89          HD3       LYS  89 -14.217  -2.730   4.767
  719   2HD   LYS  89          HD2       LYS  89 -14.929  -2.185   3.249
  720   1HE   LYS  89          HE2       LYS  89 -14.734  -4.332   2.280
  721   2HE   LYS  89          HE3       LYS  89 -13.698  -4.904   3.586
  722   1HZ   LYS  89          HZ1       LYS  89 -15.518  -4.853   5.091
  723   2HZ   LYS  89          HZ2       LYS  89 -16.048  -5.666   3.707
  724   3HZ   LYS  89          HZ3       LYS  89 -16.525  -4.060   3.980
  725    HA   PRO  90           HA       PRO  90  -8.126  -3.384   5.722
  726   1HB   PRO  90          HB2       PRO  90  -6.829  -1.904   7.609
  727   2HB   PRO  90          HB3       PRO  90  -6.324  -1.960   5.922
  728   1HG   PRO  90          HG3       PRO  90  -7.857   0.141   7.367
  729   2HG   PRO  90          HG2       PRO  90  -6.630   0.316   6.109
  730   1HD   PRO  90          HD2       PRO  90  -9.332   0.520   5.668
  731   2HD   PRO  90          HD3       PRO  90  -8.154   0.064   4.426
  732    H    LYS  91           HN       LYS  91 -10.217  -4.200   6.427
  733    HA   LYS  91           HA       LYS  91 -10.879  -3.406   9.175
  734   1HB   LYS  91          HB2       LYS  91 -12.515  -3.567   6.952
  735   2HB   LYS  91          HB3       LYS  91 -12.873  -5.050   7.839
  736   1HG   LYS  91          HG2       LYS  91 -12.875  -2.320   9.098
  737   2HG   LYS  91          HG3       LYS  91 -14.320  -3.080   8.418
  738   1HD   LYS  91          HD2       LYS  91 -14.094  -4.937   9.970
  739   2HD   LYS  91          HD3       LYS  91 -12.596  -4.255  10.607
  740   1HE   LYS  91          HE3       LYS  91 -15.303  -2.938  10.768
  741   2HE   LYS  91          HE2       LYS  91 -14.532  -3.842  12.070
  742   1HZ   LYS  91          HZ1       LYS  91 -13.919  -1.741  12.613
  743   2HZ   LYS  91          HZ2       LYS  91 -13.891  -1.192  11.002
  744   3HZ   LYS  91          HZ3       LYS  91 -12.614  -2.144  11.606
  745    H    ASP  92           HN       ASP  92  -9.671  -5.988   7.269
  746    HA   ASP  92           HA       ASP  92 -10.406  -8.088   9.098
  747   1HB   ASP  92          HB2       ASP  92  -8.598  -9.346   7.791
  748   2HB   ASP  92          HB3       ASP  92 -10.113  -8.955   6.984
  749    H    PHE  93           HN       PHE  93  -8.682  -5.666   9.713
  750    HA   PHE  93           HA       PHE  93  -6.730  -5.098  10.764
  751   1HB   PHE  93          HB3       PHE  93  -7.159  -5.378  13.030
  752   2HB   PHE  93          HB2       PHE  93  -8.714  -5.574  12.240
  753    HD1  PHE  93           HD1      PHE  93  -9.383  -8.065  11.691
  754    HD2  PHE  93           HD2      PHE  93  -6.649  -6.854  14.731
  755    HE1  PHE  93           HE1      PHE  93  -9.822 -10.148  12.912
  756    HE2  PHE  93           HE2      PHE  93  -7.094  -8.943  15.950
  757    HZ   PHE  93           HZ       PHE  93  -8.678 -10.591  15.043
  758    H    GLU  94           HN       GLU  94  -4.780  -5.628  10.040
  759    HA   GLU  94           HA       GLU  94  -3.763  -8.290  10.007
  760   1HB   GLU  94          HB3       GLU  94  -2.853  -6.667   8.457
  761   2HB   GLU  94          HB2       GLU  94  -2.418  -5.583   9.772
  762   1HG   GLU  94          HG3       GLU  94  -0.432  -6.602   9.013
  763   2HG   GLU  94          HG2       GLU  94  -0.821  -7.315  10.574
  764    H    THR  95           HN       THR  95  -3.544  -5.559  12.211
  765    HA   THR  95           HA       THR  95  -2.606  -7.344  14.310
  766    HB   THR  95           HB       THR  95  -1.242  -4.702  13.798
  767    HG1  THR  95           HG1      THR  95  -0.895  -7.077  12.545
  768   1HG2  THR  95          HG21      THR  95  -0.117  -5.053  15.666
  769   2HG2  THR  95          HG22      THR  95   0.306  -6.694  15.163
  770   3HG2  THR  95          HG23      THR  95  -1.217  -6.393  16.010
  771    H    SER  96           HN       SER  96  -4.913  -6.950  14.865
  772    HA   SER  96           HA       SER  96  -6.622  -5.923  15.945
  773   1HB   SER  96          HB3       SER  96  -4.949  -6.474  17.741
  774   2HB   SER  96          HB2       SER  96  -4.387  -4.819  17.648
  775    HG   SER  96           HG       SER  96  -7.134  -5.225  17.968
  776    H    GLU  97           HN       GLU  97  -5.991  -4.633  13.767
  777    HA   GLU  97           HA       GLU  97  -6.147  -2.667  12.560
  778   1HB   GLU  97          HB2       GLU  97  -7.843  -2.349  14.961
  779   2HB   GLU  97          HB3       GLU  97  -7.819  -1.085  13.728
  780   1HG   GLU  97          HG2       GLU  97  -8.365  -2.926  12.061
  781   2HG   GLU  97          HG3       GLU  97  -8.716  -3.945  13.458
  782    H    TYR  98           HN       TYR  98  -4.394  -2.657  15.271
  783    HA   TYR  98           HA       TYR  98  -4.053  -0.055  16.099
  784   1HB   TYR  98          HB2       TYR  98  -2.994  -2.232  16.989
  785   2HB   TYR  98          HB3       TYR  98  -1.706  -1.901  15.828
  786    HD1  TYR  98           HD1      TYR  98  -3.714   0.232  18.125
  787    HD2  TYR  98           HD2      TYR  98   0.134  -1.047  16.853
  788    HE1  TYR  98           HE1      TYR  98  -2.667   1.838  19.682
  789    HE2  TYR  98           HE2      TYR  98   1.191   0.543  18.398
  790    HH   TYR  98           HH       TYR  98   0.438   2.815  19.475
  791    H    VAL  99           HN       VAL  99  -2.421  -1.768  13.544
  792    HA   VAL  99           HA       VAL  99  -0.827   0.423  12.728
  793    HB   VAL  99           HB       VAL  99  -0.172  -1.844  12.206
  794   1HG1  VAL  99          HG11      VAL  99  -1.400  -3.348  11.009
  795   2HG1  VAL  99          HG12      VAL  99  -2.689  -2.431  11.788
  796   3HG1  VAL  99          HG13      VAL  99  -2.255  -2.097  10.118
  797   1HG2  VAL  99          HG21      VAL  99   0.851  -1.282  10.298
  798   2HG2  VAL  99          HG22      VAL  99  -0.665  -0.938   9.473
  799   3HG2  VAL  99          HG23      VAL  99   0.056   0.272  10.535
  800    H    ARG 100           HN       ARG 100  -3.978  -0.819  11.684
  801    HA   ARG 100           HA       ARG 100  -4.423   0.732   9.420
  802   1HB   ARG 100          HB2       ARG 100  -5.992  -0.985   9.871
  803   2HB   ARG 100          HB3       ARG 100  -6.287  -0.404  11.505
  804   1HG   ARG 100          HG2       ARG 100  -7.239   1.702  10.324
  805   2HG   ARG 100          HG3       ARG 100  -7.335   0.649   8.907
  806   1HD   ARG 100          HD2       ARG 100  -8.591  -0.984  10.345
  807   2HD   ARG 100          HD3       ARG 100  -8.648   0.245  11.597
  808    HE   ARG 100           HE       ARG 100  -9.684   1.311   9.208
  809   1HH1  ARG 100          HH12      ARG 100 -10.926  -1.164  11.682
  810   2HH1  ARG 100          HH11      ARG 100 -11.602   0.363  12.168
  811   1HH2  ARG 100          HH22      ARG 100 -11.989   0.743   8.511
  812   2HH2  ARG 100          HH21      ARG 100 -12.970   0.794   9.944
  813    H    LYS 101           HN       LYS 101  -5.419   1.440  12.762
  814    HA   LYS 101           HA       LYS 101  -6.395   4.019  12.204
  815   1HB   LYS 101          HB3       LYS 101  -5.490   2.689  14.725
  816   2HB   LYS 101          HB2       LYS 101  -6.133   4.329  14.689
  817   1HG   LYS 101          HG3       LYS 101  -7.546   1.818  13.813
  818   2HG   LYS 101          HG2       LYS 101  -7.879   2.765  15.254
  819   1HD   LYS 101          HD2       LYS 101  -8.487   4.692  13.821
  820   2HD   LYS 101          HD3       LYS 101  -8.213   3.679  12.404
  821   1HE   LYS 101          HE2       LYS 101  -9.970   2.164  13.103
  822   2HE   LYS 101          HE3       LYS 101 -10.250   3.117  14.555
  823   1HZ   LYS 101          HZ1       LYS 101 -11.049   4.926  13.244
  824   2HZ   LYS 101          HZ2       LYS 101 -11.832   3.533  12.695
  825   3HZ   LYS 101          HZ3       LYS 101 -10.560   4.189  11.795
  826    H    ALA 102           HN       ALA 102  -3.236   2.811  12.853
  827    HA   ALA 102           HA       ALA 102  -2.112   5.396  13.461
  828   1HB   ALA 102          HB1       ALA 102  -1.101   2.613  13.340
  829   2HB   ALA 102          HB2       ALA 102   0.055   3.938  13.241
  830   3HB   ALA 102          HB3       ALA 102  -1.000   3.795  14.645
  831    H    TRP 103           HN       TRP 103  -1.100   2.979  11.067
  832    HA   TRP 103           HA       TRP 103   0.420   4.686   9.555
  833   1HB   TRP 103          HB2       TRP 103   0.908   2.902   8.294
  834   2HB   TRP 103          HB3       TRP 103   0.144   2.065   9.627
  835    HD1  TRP 103           HD1      TRP 103  -2.683   1.566   9.042
  836    HE1  TRP 103           HE1      TRP 103  -3.562   0.547   6.828
  837    HE3  TRP 103           HE3      TRP 103   1.285   2.630   6.022
  838    HZ2  TRP 103           HZ2      TRP 103  -2.644   0.256   4.147
  839    HZ3  TRP 103           HZ3      TRP 103   1.209   1.943   3.666
  840    HH2  TRP 103           HH2      TRP 103  -0.721   0.791   2.760
  841    H    LEU 104           HN       LEU 104  -3.011   4.454   9.464
  842    HA   LEU 104           HA       LEU 104  -3.421   5.447   6.810
  843   1HB   LEU 104          HB2       LEU 104  -5.022   5.029   9.232
  844   2HB   LEU 104          HB3       LEU 104  -5.529   6.414   8.286
  845    HG   LEU 104           HG       LEU 104  -6.138   5.092   6.455
  846   1HD1  LEU 104          HD11      LEU 104  -3.938   3.702   6.734
  847   2HD1  LEU 104          HD12      LEU 104  -4.999   2.580   7.576
  848   3HD1  LEU 104          HD13      LEU 104  -5.331   3.015   5.902
  849   1HD2  LEU 104          HD21      LEU 104  -6.727   3.448   8.900
  850   2HD2  LEU 104          HD22      LEU 104  -7.627   4.869   8.377
  851   3HD2  LEU 104          HD23      LEU 104  -7.618   3.417   7.375
  852    H    ARG 105           HN       ARG 105  -3.320   6.816   9.981
  853    HA   ARG 105           HA       ARG 105  -3.621   9.526   9.461
  854   1HB   ARG 105          HB2       ARG 105  -3.602   8.694  11.754
  855   2HB   ARG 105          HB3       ARG 105  -1.916   8.220  11.603
  856   1HG   ARG 105          HG3       ARG 105  -1.252  10.551  11.410
  857   2HG   ARG 105          HG2       ARG 105  -2.942  11.038  11.485
  858   1HD   ARG 105          HD3       ARG 105  -3.156  10.286  13.734
  859   2HD   ARG 105          HD2       ARG 105  -1.574   9.496  13.676
  860    HE   ARG 105           HE       ARG 105  -0.652  11.475  14.279
  861   1HH1  ARG 105          HH12      ARG 105  -3.991  12.342  13.386
  862   2HH1  ARG 105          HH11      ARG 105  -3.474  13.869  12.724
  863   1HH2  ARG 105          HH22      ARG 105  -0.792  14.390  13.481
  864   2HH2  ARG 105          HH21      ARG 105  -1.500  14.195  15.058
  865    H    ASP 106           HN       ASP 106  -0.829   7.461   9.072
  866    HA   ASP 106           HA       ASP 106   1.066   9.535   8.514
  867   1HB   ASP 106          HB2       ASP 106   0.994   6.564   8.014
  868   2HB   ASP 106          HB3       ASP 106   2.240   7.556   7.261
  869    H    ILE 107           HN       ILE 107  -0.420   7.128   6.436
  870    HA   ILE 107           HA       ILE 107   0.047   7.849   3.911
  871    HB   ILE 107           HB       ILE 107  -2.297   6.654   5.220
  872   1HG1  ILE 107          HG12      ILE 107  -1.961   4.915   3.575
  873   2HG1  ILE 107          HG13      ILE 107  -0.870   5.939   2.651
  874   1HG2  ILE 107          HG21      ILE 107  -2.923   8.498   3.272
  875   2HG2  ILE 107          HG22      ILE 107  -2.906   6.969   2.407
  876   3HG2  ILE 107          HG23      ILE 107  -3.943   7.169   3.816
  877   1HD1  ILE 107          HD11      ILE 107  -0.183   5.356   5.472
  878   2HD1  ILE 107          HD12      ILE 107   0.004   4.076   4.273
  879   3HD1  ILE 107          HD13      ILE 107   0.859   5.603   4.068
  880    H    ALA 108           HN       ALA 108  -2.453   9.445   5.859
  881    HA   ALA 108           HA       ALA 108  -3.342  11.198   3.847
  882   1HB   ALA 108          HB1       ALA 108  -3.833  12.432   6.291
  883   2HB   ALA 108          HB2       ALA 108  -4.915  11.357   5.398
  884   3HB   ALA 108          HB3       ALA 108  -3.837  10.693   6.639
  885    H    GLU 109           HN       GLU 109  -1.071  11.713   6.522
  886    HA   GLU 109           HA       GLU 109  -0.539  14.424   5.797
  887   1HB   GLU 109          HB2       GLU 109   0.793  12.556   7.744
  888   2HB   GLU 109          HB3       GLU 109   1.199  14.260   7.578
  889   1HG   GLU 109          HG2       GLU 109  -1.478  13.133   8.377
  890   2HG   GLU 109          HG3       GLU 109  -0.302  13.895   9.451
  891    H    GLU 110           HN       GLU 110   1.330  11.401   5.488
  892    HA   GLU 110           HA       GLU 110   2.895  12.532   3.325
  893   1HB   GLU 110          HB3       GLU 110   4.046  11.760   5.995
  894   2HB   GLU 110          HB2       GLU 110   5.005  11.817   4.524
  895   1HG   GLU 110          HG2       GLU 110   4.544  14.212   4.325
  896   2HG   GLU 110          HG3       GLU 110   3.601  14.136   5.819
  897    H    GLN 111           HN       GLN 111   4.611  10.880   2.674
  898    HA   GLN 111           HA       GLN 111   4.289   8.117   3.312
  899   1HB   GLN 111          HB2       GLN 111   3.205   9.168   0.715
  900   2HB   GLN 111          HB3       GLN 111   3.711   7.496   0.901
  901   1HG   GLN 111          HG2       GLN 111   2.039   7.122   2.576
  902   2HG   GLN 111          HG3       GLN 111   1.605   8.835   2.579
  903   1HE2  GLN 111          HE21      GLN 111   2.098   8.536  -0.463
  904   2HE2  GLN 111          HE22      GLN 111   0.733   7.673  -1.066
  905    H    GLU 112           HN       GLU 112   5.022   9.694   0.237
  906    HA   GLU 112           HA       GLU 112   7.626   8.497   0.089
  907   1HB   GLU 112          HB3       GLU 112   7.839   9.724  -2.009
  908   2HB   GLU 112          HB2       GLU 112   6.252   8.959  -1.921
  909   1HG   GLU 112          HG2       GLU 112   6.577  11.783  -1.024
  910   2HG   GLU 112          HG3       GLU 112   6.492  11.413  -2.746
  911    H    LYS 113           HN       LYS 113   6.270  11.253   1.497
  912    HA   LYS 113           HA       LYS 113   8.446  13.049   1.362
  913   1HB   LYS 113          HB3       LYS 113   6.125  12.796   3.272
  914   2HB   LYS 113          HB2       LYS 113   7.351  14.052   3.452
  915   1HG   LYS 113          HG3       LYS 113   5.627  15.107   2.328
  916   2HG   LYS 113          HG2       LYS 113   6.761  14.693   1.046
  917   1HD   LYS 113          HD2       LYS 113   5.439  12.712   0.509
  918   2HD   LYS 113          HD3       LYS 113   4.304  13.123   1.799
  919   1HE   LYS 113          HE3       LYS 113   3.859  15.271   0.611
  920   2HE   LYS 113          HE2       LYS 113   4.888  14.699  -0.701
  921   1HZ   LYS 113          HZ1       LYS 113   2.238  13.733   0.136
  922   2HZ   LYS 113          HZ2       LYS 113   3.316  12.669  -0.625
  923   3HZ   LYS 113          HZ3       LYS 113   2.822  14.080  -1.417
  924    H    TYR 114           HN       TYR 114   7.342  11.904   4.503
  925    HA   TYR 114           HA       TYR 114   8.478  11.340   6.373
  926   1HB   TYR 114          HB2       TYR 114   9.430   9.508   4.262
  927   2HB   TYR 114          HB3       TYR 114  10.372   9.526   5.749
  928    HD1  TYR 114           HD1      TYR 114   6.751   9.619   4.846
  929    HD2  TYR 114           HD2      TYR 114   9.800   7.873   7.230
  930    HE1  TYR 114           HE1      TYR 114   5.071   8.178   5.920
  931    HE2  TYR 114           HE2      TYR 114   8.139   6.432   8.323
  932    HH   TYR 114           HH       TYR 114   4.692   6.635   7.507
  933    H    ALA 115           HN       ALA 115   9.329  13.665   5.147
  934    HA   ALA 115           HA       ALA 115  11.896  14.058   6.413
  935   1HB   ALA 115          HB1       ALA 115  11.925  13.477   3.709
  936   2HB   ALA 115          HB2       ALA 115  11.905  15.243   3.739
  937   3HB   ALA 115          HB3       ALA 115  13.182  14.361   4.587
  938    H    ALA 116           HN       ALA 116   9.874  14.955   7.501
  939    HA   ALA 116           HA       ALA 116   8.221  16.910   6.810
  940   1HB   ALA 116          HB1       ALA 116   9.772  16.917   9.381
  941   2HB   ALA 116          HB2       ALA 116   8.208  17.686   9.091
  942   3HB   ALA 116          HB3       ALA 116   8.355  15.930   9.039
  943    H    GLU 117           HN       GLU 117   8.484  18.584   5.614
  944    HA   GLU 117           HA       GLU 117  10.851  20.247   5.674
  945   1HB   GLU 117          HB3       GLU 117   9.652  19.800   3.549
  946   2HB   GLU 117          HB2       GLU 117   8.212  20.541   4.225
  947   1HG   GLU 117          HG2       GLU 117   9.537  22.655   4.470
  948   2HG   GLU 117          HG3       GLU 117  10.783  21.883   3.486
  949    H    ARG 118           HN       ARG 118  10.833  22.440   6.425
  950    HA   ARG 118           HA       ARG 118   8.949  22.936   8.570
  951   1HB   ARG 118          HB2       ARG 118  11.621  23.567   8.101
  952   2HB   ARG 118          HB3       ARG 118  10.791  25.108   7.938
  953   1HG   ARG 118          HG2       ARG 118  10.158  23.414  10.295
  954   2HG   ARG 118          HG3       ARG 118  11.707  24.257  10.252
  955   1HD   ARG 118          HD3       ARG 118   9.061  25.622   9.818
  956   2HD   ARG 118          HD2       ARG 118   9.854  25.505  11.387
  957    HE   ARG 118           HE       ARG 118  11.620  26.570   9.431
  958   1HH1  ARG 118          HH12      ARG 118   9.968  27.664  12.312
  959   2HH1  ARG 118          HH11      ARG 118   8.834  28.515  11.316
  960   1HH2  ARG 118          HH21      ARG 118  11.629  29.015   9.052
  961   2HH2  ARG 118          HH22      ARG 118  11.796  29.515  10.713
  962    H    ASP 119           HN       ASP 119  10.026  24.612   5.645
  963    HA   ASP 119           HA       ASP 119   7.441  25.334   4.828
  964   1HB   ASP 119          HB2       ASP 119   7.527  27.755   5.115
  965   2HB   ASP 119          HB3       ASP 119   7.618  26.944   6.675
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1   7.290 -11.258  21.228
    2   2H    MET   1          HT2       MET   1   7.961  -9.793  20.638
    3   3H    MET   1          HT3       MET   1   7.549  -9.946  22.294
    4    HA   MET   1           HA       MET   1   9.720 -10.276  22.441
    5   1HB   MET   1          HB3       MET   1   8.601 -12.982  21.680
    6   2HB   MET   1          HB2       MET   1  10.110 -12.733  22.547
    7   1HG   MET   1          HG2       MET   1   7.319 -12.164  23.482
    8   2HG   MET   1          HG3       MET   1   8.495 -13.300  24.146
    9   1HE   MET   1          HE1       MET   1   7.590 -10.180  26.534
   10   2HE   MET   1          HE2       MET   1   6.782 -11.477  25.657
   11   3HE   MET   1          HE3       MET   1   8.025 -11.859  26.853
   12    H    GLY   2           HN       GLY   2  11.129  -9.400  21.067
   13   1HA   GLY   2          HA1       GLY   2  12.773  -9.500  19.392
   14   2HA   GLY   2          HA2       GLY   2  11.988 -10.938  18.734
   15    H    ASP   3           HN       ASP   3   9.629 -10.429  18.049
   16    HA   ASP   3           HA       ASP   3   8.298  -9.511  16.447
   17   1HB   ASP   3          HB2       ASP   3   9.263  -6.995  17.835
   18   2HB   ASP   3          HB3       ASP   3   7.877  -7.074  16.747
   19    H    THR   4           HN       THR   4   8.753  -6.764  15.377
   20    HA   THR   4           HA       THR   4  10.463  -7.561  13.184
   21    HB   THR   4           HB       THR   4   9.728  -5.126  12.458
   22    HG1  THR   4           HG1      THR   4   8.145  -4.285  13.578
   23   1HG2  THR   4          HG21      THR   4   7.969  -7.550  12.506
   24   2HG2  THR   4          HG22      THR   4   8.943  -6.912  11.181
   25   3HG2  THR   4          HG23      THR   4   7.501  -6.043  11.704
   26    H    GLY   5           HN       GLY   5  10.464  -5.310  15.855
   27   1HA   GLY   5          HA2       GLY   5  12.344  -4.339  16.852
   28   2HA   GLY   5          HA1       GLY   5  13.315  -4.873  15.488
   29    H    LYS   6           HN       LYS   6  12.293  -3.823  13.338
   30    HA   LYS   6           HA       LYS   6  11.716  -0.987  13.723
   31   1HB   LYS   6          HB2       LYS   6  14.072  -2.071  12.164
   32   2HB   LYS   6          HB3       LYS   6  13.456  -0.433  11.966
   33   1HG   LYS   6          HG3       LYS   6  13.953   0.017  14.327
   34   2HG   LYS   6          HG2       LYS   6  14.608  -1.612  14.488
   35   1HD   LYS   6          HD2       LYS   6  16.414  -0.045  14.189
   36   2HD   LYS   6          HD3       LYS   6  16.289  -1.064  12.753
   37   1HE   LYS   6          HE3       LYS   6  15.019   0.733  11.632
   38   2HE   LYS   6          HE2       LYS   6  15.247   1.752  13.054
   39   1HZ   LYS   6          HZ1       LYS   6  17.684   1.514  12.698
   40   2HZ   LYS   6          HZ2       LYS   6  16.892   2.334  11.445
   41   3HZ   LYS   6          HZ3       LYS   6  17.358   0.719  11.233
   42    H    LEU   7           HN       LEU   7  11.805  -0.143  11.144
   43    HA   LEU   7           HA       LEU   7   9.759  -1.822   9.870
   44   1HB   LEU   7          HB3       LEU   7  10.543   1.055   9.347
   45   2HB   LEU   7          HB2       LEU   7   9.217   0.212   8.572
   46    HG   LEU   7           HG       LEU   7   9.418   0.847  11.525
   47   1HD1  LEU   7          HD21      LEU   7   8.232   2.272   9.229
   48   2HD1  LEU   7          HD22      LEU   7   7.276   2.204  10.706
   49   3HD1  LEU   7          HD23      LEU   7   8.905   2.890  10.745
   50   1HD2  LEU   7          HD11      LEU   7   7.845  -1.076  10.173
   51   2HD2  LEU   7          HD12      LEU   7   7.794  -0.608  11.866
   52   3HD2  LEU   7          HD13      LEU   7   6.776   0.234  10.701
   53    H    GLY   8           HN       GLY   8  11.066  -3.367   8.886
   54   1HA   GLY   8          HA1       GLY   8  13.389  -2.758   7.353
   55   2HA   GLY   8          HA2       GLY   8  12.511  -4.282   7.336
   56    H    ARG   9           HN       ARG   9  10.065  -2.597   6.698
   57    HA   ARG   9           HA       ARG   9  10.492  -2.546   3.802
   58   1HB   ARG   9          HB2       ARG   9   7.925  -2.343   5.382
   59   2HB   ARG   9          HB3       ARG   9   8.065  -2.488   3.633
   60   1HG   ARG   9          HG2       ARG   9   8.928  -4.544   5.632
   61   2HG   ARG   9          HG3       ARG   9   7.464  -4.599   4.652
   62   1HD   ARG   9          HD2       ARG   9   8.831  -4.607   2.618
   63   2HD   ARG   9          HD3       ARG   9  10.293  -4.548   3.596
   64    HE   ARG   9           HE       ARG   9   8.820  -6.767   4.430
   65   1HH1  ARG   9          HH11      ARG   9  11.196  -6.011   1.795
   66   2HH1  ARG   9          HH12      ARG   9  10.090  -6.919   0.765
   67   1HH2  ARG   9          HH21      ARG   9  10.094  -8.904   3.811
   68   2HH2  ARG   9          HH22      ARG   9   9.255  -9.064   2.291
   69    H    ILE  10           HN       ILE  10  11.278  -0.610   5.944
   70    HA   ILE  10           HA       ILE  10  11.528   1.524   6.402
   71    HB   ILE  10           HB       ILE  10  12.420   1.517   4.121
   72   1HG1  ILE  10          HG12      ILE  10  11.096   4.126   4.836
   73   2HG1  ILE  10          HG13      ILE  10  12.465   3.459   5.713
   74   1HG2  ILE  10          HG21      ILE  10  10.504   1.115   2.765
   75   2HG2  ILE  10          HG22      ILE  10   9.692   2.562   3.379
   76   3HG2  ILE  10          HG23      ILE  10  11.126   2.712   2.350
   77   1HD1  ILE  10          HD11      ILE  10  13.283   5.067   4.150
   78   2HD1  ILE  10          HD12      ILE  10  13.749   3.471   3.577
   79   3HD1  ILE  10          HD13      ILE  10  12.390   4.310   2.833
   80    H    ILE  11           HN       ILE  11   8.437   1.339   4.534
   81    HA   ILE  11           HA       ILE  11   7.511   3.501   6.303
   82    HB   ILE  11           HB       ILE  11   6.119   2.403   3.853
   83   1HG1  ILE  11          HG13      ILE  11   7.481   5.088   4.139
   84   2HG1  ILE  11          HG12      ILE  11   8.273   3.674   3.449
   85   1HG2  ILE  11          HG21      ILE  11   5.222   5.010   4.636
   86   2HG2  ILE  11          HG22      ILE  11   4.296   3.519   4.478
   87   3HG2  ILE  11          HG23      ILE  11   5.093   3.918   6.002
   88   1HD1  ILE  11          HD11      ILE  11   7.355   4.103   1.488
   89   2HD1  ILE  11          HD12      ILE  11   5.746   3.958   2.205
   90   3HD1  ILE  11          HD13      ILE  11   6.555   5.527   2.173
   91    H    ARG  12           HN       ARG  12   5.415   1.100   4.808
   92    HA   ARG  12           HA       ARG  12   4.947  -0.209   7.389
   93   1HB   ARG  12          HB2       ARG  12   3.365   1.947   6.487
   94   2HB   ARG  12          HB3       ARG  12   2.407   0.502   6.235
   95   1HG   ARG  12          HG3       ARG  12   1.809   1.239   8.356
   96   2HG   ARG  12          HG2       ARG  12   2.940  -0.079   8.656
   97   1HD   ARG  12          HD3       ARG  12   4.745   1.667   8.872
   98   2HD   ARG  12          HD2       ARG  12   3.464   2.880   8.831
   99    HE   ARG  12           HE       ARG  12   3.096   0.836  10.835
  100   1HH1  ARG  12          HH11      ARG  12   3.817   4.375  10.461
  101   2HH1  ARG  12          HH12      ARG  12   5.340   3.866  11.142
  102   1HH2  ARG  12          HH21      ARG  12   4.014   1.622  13.182
  103   2HH2  ARG  12          HH22      ARG  12   2.804   2.865  13.173
  104    H    HIS  13           HN       HIS  13   3.692  -2.171   7.221
  105    HA   HIS  13           HA       HIS  13   2.901  -3.023   4.569
  106   1HB   HIS  13          HB2       HIS  13   4.337  -4.936   4.420
  107   2HB   HIS  13          HB3       HIS  13   5.355  -3.536   4.737
  108    HD1  HIS  13           HD1      HIS  13   5.970  -3.268   7.453
  109    HD2  HIS  13           HD2      HIS  13   4.868  -7.025   6.046
  110    HE1  HIS  13           HE1      HIS  13   6.771  -4.903   9.183
  111    HE2  HIS  13           HE2      HIS  13   5.884  -7.132   8.422
  112    H    ASP  14           HN       ASP  14   0.914  -3.758   4.917
  113    HA   ASP  14           HA       ASP  14   0.490  -5.823   6.922
  114   1HB   ASP  14          HB2       ASP  14  -0.946  -3.166   7.011
  115   2HB   ASP  14          HB3       ASP  14  -1.650  -4.622   7.698
  116    H    ALA  15           HN       ALA  15  -1.909  -6.609   6.766
  117    HA   ALA  15           HA       ALA  15  -2.383  -6.997   3.921
  118   1HB   ALA  15          HB1       ALA  15  -2.549  -9.067   4.848
  119   2HB   ALA  15          HB2       ALA  15  -3.182  -8.454   6.383
  120   3HB   ALA  15          HB3       ALA  15  -4.231  -8.576   4.975
  121    H    PHE  16           HN       PHE  16  -4.048  -6.165   2.794
  122    HA   PHE  16           HA       PHE  16  -6.153  -4.775   4.314
  123   1HB   PHE  16          HB2       PHE  16  -4.620  -3.810   1.923
  124   2HB   PHE  16          HB3       PHE  16  -6.296  -3.307   2.144
  125    HD1  PHE  16           HD1      PHE  16  -3.204  -3.597   4.215
  126    HD2  PHE  16           HD2      PHE  16  -6.659  -1.357   3.156
  127    HE1  PHE  16           HE1      PHE  16  -2.509  -1.810   5.751
  128    HE2  PHE  16           HE2      PHE  16  -5.979   0.440   4.680
  129    HZ   PHE  16           HZ       PHE  16  -3.900   0.217   5.984
  130    H    GLN  17           HN       GLN  17  -7.822  -6.071   4.163
  131    HA   GLN  17           HA       GLN  17  -8.413  -7.573   1.757
  132   1HB   GLN  17          HB3       GLN  17  -8.708  -8.617   3.958
  133   2HB   GLN  17          HB2       GLN  17  -9.858  -7.370   4.412
  134   1HG   GLN  17          HG3       GLN  17 -11.390  -8.155   2.682
  135   2HG   GLN  17          HG2       GLN  17 -10.246  -9.409   2.233
  136   1HE2  GLN  17          HE21      GLN  17 -10.652 -11.322   3.091
  137   2HE2  GLN  17          HE22      GLN  17 -11.732 -11.605   4.383
  138    H    VAL  18           HN       VAL  18  -8.893  -5.997   0.237
  139    HA   VAL  18           HA       VAL  18 -11.485  -4.704   0.665
  140    HB   VAL  18           HB       VAL  18  -9.576  -2.952  -0.660
  141   1HG1  VAL  18          HG21      VAL  18 -11.250  -2.382   1.756
  142   2HG1  VAL  18          HG22      VAL  18 -10.747  -1.289   0.471
  143   3HG1  VAL  18          HG23      VAL  18 -11.959  -2.518   0.153
  144   1HG2  VAL  18          HG11      VAL  18  -7.967  -3.760   0.882
  145   2HG2  VAL  18          HG12      VAL  18  -8.564  -2.239   1.547
  146   3HG2  VAL  18          HG13      VAL  18  -9.132  -3.773   2.196
  147    H    TRP  19           HN       TRP  19 -12.664  -4.346  -0.963
  148    HA   TRP  19           HA       TRP  19 -12.637  -5.659  -3.361
  149   1HB   TRP  19          HB2       TRP  19 -13.852  -2.940  -2.852
  150   2HB   TRP  19          HB3       TRP  19 -14.423  -4.154  -3.992
  151    HD1  TRP  19           HD1      TRP  19 -15.929  -6.071  -3.089
  152    HE1  TRP  19           HE1      TRP  19 -17.137  -6.474  -0.861
  153    HE3  TRP  19           HE3      TRP  19 -13.519  -2.569  -0.222
  154    HZ2  TRP  19           HZ2      TRP  19 -17.056  -5.479   1.779
  155    HZ3  TRP  19           HZ3      TRP  19 -14.136  -2.378   2.150
  156    HH2  TRP  19           HH2      TRP  19 -15.863  -3.805   3.130
  157    H    GLU  20           HN       GLU  20 -11.169  -5.464  -5.056
  158    HA   GLU  20           HA       GLU  20  -9.692  -2.998  -5.363
  159   1HB   GLU  20          HB2       GLU  20  -8.845  -5.416  -5.765
  160   2HB   GLU  20          HB3       GLU  20  -9.736  -5.331  -7.277
  161   1HG   GLU  20          HG3       GLU  20  -8.021  -3.029  -6.948
  162   2HG   GLU  20          HG2       GLU  20  -7.107  -4.531  -6.835
  163    H    GLY  21           HN       GLY  21  -9.627  -2.843  -8.197
  164   1HA   GLY  21          HA1       GLY  21 -12.021  -1.376  -8.662
  165   2HA   GLY  21          HA2       GLY  21 -10.782  -1.756  -9.862
  166    H    ASP  22           HN       ASP  22 -13.685  -1.856 -10.123
  167    HA   ASP  22           HA       ASP  22 -15.184  -3.137 -11.237
  168   1HB   ASP  22          HB3       ASP  22 -12.917  -5.139 -11.415
  169   2HB   ASP  22          HB2       ASP  22 -14.474  -5.321 -12.224
  170    H    GLU  23           HN       GLU  23 -14.473  -3.407  -8.260
  171    HA   GLU  23           HA       GLU  23 -15.724  -4.109  -6.553
  172   1HB   GLU  23          HB3       GLU  23 -17.520  -4.624  -8.089
  173   2HB   GLU  23          HB2       GLU  23 -16.878  -6.242  -8.309
  174   1HG   GLU  23          HG2       GLU  23 -18.701  -6.313  -6.751
  175   2HG   GLU  23          HG3       GLU  23 -17.198  -6.662  -5.899
  176    HA   PRO  24           HA       PRO  24 -14.201  -9.055  -6.285
  177   1HB   PRO  24          HB3       PRO  24 -11.753  -8.050  -7.682
  178   2HB   PRO  24          HB2       PRO  24 -12.410  -9.691  -7.609
  179   1HG   PRO  24          HG2       PRO  24 -12.849  -7.804  -9.633
  180   2HG   PRO  24          HG3       PRO  24 -13.764  -9.305  -9.384
  181   1HD   PRO  24          HD3       PRO  24 -14.776  -6.697  -9.172
  182   2HD   PRO  24          HD2       PRO  24 -15.553  -8.161  -8.545
  183    HA   PRO  25           HA       PRO  25 -12.071  -7.094  -2.798
  184   1HB   PRO  25          HB3       PRO  25 -13.092  -8.990  -1.014
  185   2HB   PRO  25          HB2       PRO  25 -13.777  -7.405  -1.352
  186   1HG   PRO  25          HG2       PRO  25 -14.894  -9.939  -2.001
  187   2HG   PRO  25          HG3       PRO  25 -15.523  -8.341  -2.409
  188   1HD   PRO  25          HD3       PRO  25 -14.025 -10.241  -4.096
  189   2HD   PRO  25          HD2       PRO  25 -15.108  -8.913  -4.567
  190    H    LYS  26           HN       LYS  26 -10.022  -7.548  -2.403
  191    HA   LYS  26           HA       LYS  26  -9.223 -10.382  -2.447
  192   1HB   LYS  26          HB3       LYS  26  -7.625  -8.065  -3.510
  193   2HB   LYS  26          HB2       LYS  26  -7.180  -9.762  -3.570
  194   1HG   LYS  26          HG2       LYS  26  -8.916 -10.237  -5.131
  195   2HG   LYS  26          HG3       LYS  26  -9.599  -8.618  -4.938
  196   1HD   LYS  26          HD3       LYS  26  -7.325  -7.765  -5.682
  197   2HD   LYS  26          HD2       LYS  26  -7.006  -9.416  -6.214
  198   1HE   LYS  26          HE2       LYS  26  -8.889  -9.348  -7.712
  199   2HE   LYS  26          HE3       LYS  26  -9.378  -7.771  -7.089
  200   1HZ   LYS  26          HZ1       LYS  26  -6.828  -7.342  -7.857
  201   2HZ   LYS  26          HZ2       LYS  26  -8.198  -6.970  -8.790
  202   3HZ   LYS  26          HZ3       LYS  26  -7.368  -8.431  -9.032
  203    H    LEU  27           HN       LEU  27  -7.382 -10.950  -1.401
  204    HA   LEU  27           HA       LEU  27  -6.890  -9.507   1.098
  205   1HB   LEU  27          HB3       LEU  27  -7.386 -12.089   0.703
  206   2HB   LEU  27          HB2       LEU  27  -5.661 -12.152   0.381
  207    HG   LEU  27           HG       LEU  27  -6.969 -11.261   2.971
  208   1HD1  LEU  27          HD11      LEU  27  -6.311 -13.316   3.875
  209   2HD1  LEU  27          HD12      LEU  27  -6.970 -13.731   2.297
  210   3HD1  LEU  27          HD13      LEU  27  -5.225 -13.658   2.530
  211   1HD2  LEU  27          HD21      LEU  27  -4.048 -11.675   2.395
  212   2HD2  LEU  27          HD22      LEU  27  -4.833 -10.099   2.402
  213   3HD2  LEU  27          HD23      LEU  27  -4.776 -11.061   3.881
  214    H    ARG  28           HN       ARG  28  -5.708  -7.808  -0.031
  215    HA   ARG  28           HA       ARG  28  -3.210  -8.587  -1.302
  216   1HB   ARG  28          HB2       ARG  28  -3.004  -6.281  -1.990
  217   2HB   ARG  28          HB3       ARG  28  -4.611  -6.877  -2.369
  218   1HG   ARG  28          HG3       ARG  28  -5.559  -5.686  -0.526
  219   2HG   ARG  28          HG2       ARG  28  -3.968  -5.211   0.051
  220   1HD   ARG  28          HD2       ARG  28  -4.998  -3.354  -1.074
  221   2HD   ARG  28          HD3       ARG  28  -3.633  -3.934  -2.044
  222    HE   ARG  28           HE       ARG  28  -5.102  -4.477  -3.723
  223   1HH1  ARG  28          HH11      ARG  28  -7.341  -4.059  -0.816
  224   2HH1  ARG  28          HH12      ARG  28  -8.026  -2.922  -1.925
  225   1HH2  ARG  28          HH22      ARG  28  -7.088  -4.671  -4.739
  226   2HH2  ARG  28          HH21      ARG  28  -8.515  -4.903  -3.757
  227    H    TYR  29           HN       TYR  29  -1.251  -8.342  -0.537
  228    HA   TYR  29           HA       TYR  29  -0.907  -7.441   2.230
  229   1HB   TYR  29          HB2       TYR  29   0.870  -8.944   0.297
  230   2HB   TYR  29          HB3       TYR  29   1.467  -8.335   1.834
  231    HD1  TYR  29           HD1      TYR  29   1.922 -11.036   1.615
  232    HD2  TYR  29           HD2      TYR  29  -1.788  -9.166   2.522
  233    HE1  TYR  29           HE1      TYR  29   1.156 -13.097   2.709
  234    HE2  TYR  29           HE2      TYR  29  -2.560 -11.223   3.616
  235    HH   TYR  29           HH       TYR  29  -1.508 -13.207   4.735
  236    H    VAL  30           HN       VAL  30  -0.954  -5.238   2.111
  237    HA   VAL  30           HA       VAL  30   0.359  -3.850  -0.014
  238    HB   VAL  30           HB       VAL  30  -0.899  -2.700   2.467
  239   1HG1  VAL  30          HG21      VAL  30   0.462  -1.181   1.014
  240   2HG1  VAL  30          HG22      VAL  30  -0.629  -1.564  -0.312
  241   3HG1  VAL  30          HG23      VAL  30  -1.230  -0.730   1.115
  242   1HG2  VAL  30          HG11      VAL  30  -2.134  -3.742  -0.058
  243   2HG2  VAL  30          HG12      VAL  30  -2.620  -4.020   1.610
  244   3HG2  VAL  30          HG13      VAL  30  -2.898  -2.449   0.867
  245    H    PHE  31           HN       PHE  31   2.452  -3.513  -0.034
  246    HA   PHE  31           HA       PHE  31   3.842  -2.876   2.482
  247   1HB   PHE  31          HB3       PHE  31   5.197  -3.830  -0.041
  248   2HB   PHE  31          HB2       PHE  31   5.840  -3.790   1.596
  249    HD1  PHE  31           HD1      PHE  31   4.375  -5.220   3.298
  250    HD2  PHE  31           HD2      PHE  31   4.691  -5.893  -0.875
  251    HE1  PHE  31           HE1      PHE  31   3.829  -7.590   3.656
  252    HE2  PHE  31           HE2      PHE  31   4.142  -8.274  -0.541
  253    HZ   PHE  31           HZ       PHE  31   3.714  -9.126   1.732
  254    H    LEU  32           HN       LEU  32   4.296  -0.756   2.614
  255    HA   LEU  32           HA       LEU  32   4.482   0.748   0.106
  256   1HB   LEU  32          HB2       LEU  32   4.664   2.234   2.643
  257   2HB   LEU  32          HB3       LEU  32   3.795   2.605   1.166
  258    HG   LEU  32           HG       LEU  32   2.844   0.631   3.242
  259   1HD1  LEU  32          HD11      LEU  32   2.503   2.548   4.392
  260   2HD1  LEU  32          HD12      LEU  32   2.561   3.555   2.937
  261   3HD1  LEU  32          HD13      LEU  32   1.091   2.659   3.328
  262   1HD2  LEU  32          HD21      LEU  32   1.075   0.222   1.928
  263   2HD2  LEU  32          HD22      LEU  32   0.988   1.888   1.370
  264   3HD2  LEU  32          HD23      LEU  32   2.139   0.776   0.624
  265    H    PHE  33           HN       PHE  33   6.451   1.073  -0.681
  266    HA   PHE  33           HA       PHE  33   8.706   1.143   1.212
  267   1HB   PHE  33          HB2       PHE  33   8.603   0.627  -1.776
  268   2HB   PHE  33          HB3       PHE  33  10.098   0.770  -0.866
  269    HD1  PHE  33           HD1      PHE  33   9.728  -1.568  -2.434
  270    HD2  PHE  33           HD2      PHE  33   8.292  -0.748   1.478
  271    HE1  PHE  33           HE1      PHE  33   9.704  -3.976  -1.948
  272    HE2  PHE  33           HE2      PHE  33   8.259  -3.158   1.974
  273    HZ   PHE  33           HZ       PHE  33   8.977  -4.778   0.261
  274    H    ARG  34           HN       ARG  34  10.472   2.779   0.603
  275    HA   ARG  34           HA       ARG  34   9.223   5.341   0.192
  276   1HB   ARG  34          HB3       ARG  34  11.262   4.758   1.718
  277   2HB   ARG  34          HB2       ARG  34  12.196   4.948   0.238
  278   1HG   ARG  34          HG2       ARG  34  11.104   7.211  -0.004
  279   2HG   ARG  34          HG3       ARG  34  10.536   7.003   1.652
  280   1HD   ARG  34          HD3       ARG  34  12.615   8.287   1.583
  281   2HD   ARG  34          HD2       ARG  34  12.839   6.744   2.423
  282    HE   ARG  34           HE       ARG  34  13.499   6.381  -0.268
  283   1HH1  ARG  34          HH12      ARG  34  15.450   7.609   2.699
  284   2HH1  ARG  34          HH11      ARG  34  15.394   8.986   1.632
  285   1HH2  ARG  34          HH22      ARG  34  16.209   5.871  -0.223
  286   2HH2  ARG  34          HH21      ARG  34  16.455   7.548  -0.626
  287    H    ASN  35           HN       ASN  35   8.549   4.309  -1.949
  288    HA   ASN  35           HA       ASN  35   9.845   5.727  -4.030
  289   1HB   ASN  35          HB3       ASN  35  11.418   3.863  -3.993
  290   2HB   ASN  35          HB2       ASN  35  10.107   2.701  -4.011
  291   1HD2  ASN  35          HD21      ASN  35  10.018   1.731  -5.880
  292   2HD2  ASN  35          HD22      ASN  35   9.942   2.522  -7.407
  293    H    LYS  36           HN       LYS  36   7.896   2.824  -3.405
  294    HA   LYS  36           HA       LYS  36   5.521   4.073  -4.422
  295   1HB   LYS  36          HB2       LYS  36   5.115   2.355  -6.164
  296   2HB   LYS  36          HB3       LYS  36   6.475   3.388  -6.539
  297   1HG   LYS  36          HG3       LYS  36   8.028   1.689  -6.111
  298   2HG   LYS  36          HG2       LYS  36   6.838   0.711  -5.243
  299   1HD   LYS  36          HD2       LYS  36   5.602   0.366  -7.306
  300   2HD   LYS  36          HD3       LYS  36   6.750   1.387  -8.174
  301   1HE   LYS  36          HE2       LYS  36   8.537  -0.174  -7.751
  302   2HE   LYS  36          HE3       LYS  36   7.485  -1.172  -6.754
  303   1HZ   LYS  36          HZ1       LYS  36   6.638  -0.653  -9.503
  304   2HZ   LYS  36          HZ2       LYS  36   6.448  -2.049  -8.558
  305   3HZ   LYS  36          HZ3       LYS  36   7.945  -1.707  -9.282
  306    H    ILE  37           HN       ILE  37   3.682   2.437  -4.384
  307    HA   ILE  37           HA       ILE  37   3.989   0.856  -1.946
  308    HB   ILE  37           HB       ILE  37   1.487   1.697  -3.425
  309   1HG1  ILE  37          HG12      ILE  37   2.722   2.689  -0.847
  310   2HG1  ILE  37          HG13      ILE  37   2.691   3.571  -2.371
  311   1HG2  ILE  37          HG21      ILE  37   1.328   0.772  -0.627
  312   2HG2  ILE  37          HG22      ILE  37   0.231   0.491  -1.973
  313   3HG2  ILE  37          HG23      ILE  37   1.692  -0.470  -1.817
  314   1HD1  ILE  37          HD11      ILE  37   0.468   4.092  -2.171
  315   2HD1  ILE  37          HD12      ILE  37   0.124   2.691  -1.157
  316   3HD1  ILE  37          HD13      ILE  37   0.968   4.078  -0.480
  317    H    MET  38           HN       MET  38   4.691  -1.125  -2.401
  318    HA   MET  38           HA       MET  38   3.712  -2.544  -4.758
  319   1HB   MET  38          HB2       MET  38   5.907  -3.221  -2.788
  320   2HB   MET  38          HB3       MET  38   5.455  -4.232  -4.154
  321   1HG   MET  38          HG3       MET  38   6.139  -2.565  -5.703
  322   2HG   MET  38          HG2       MET  38   6.331  -1.380  -4.423
  323   1HE   MET  38          HE1       MET  38   9.056  -4.862  -5.462
  324   2HE   MET  38          HE2       MET  38   8.022  -5.220  -4.073
  325   3HE   MET  38          HE3       MET  38   7.298  -4.783  -5.623
  326    H    PHE  39           HN       PHE  39   1.614  -2.954  -4.090
  327    HA   PHE  39           HA       PHE  39   1.301  -4.697  -1.763
  328   1HB   PHE  39          HB2       PHE  39  -1.086  -4.178  -1.861
  329   2HB   PHE  39          HB3       PHE  39  -0.116  -2.721  -1.737
  330    HD1  PHE  39           HD1      PHE  39  -2.702  -4.365  -3.457
  331    HD2  PHE  39           HD2      PHE  39   0.355  -1.461  -3.988
  332    HE1  PHE  39           HE1      PHE  39  -3.901  -3.484  -5.424
  333    HE2  PHE  39           HE2      PHE  39  -0.831  -0.571  -5.954
  334    HZ   PHE  39           HZ       PHE  39  -2.955  -1.583  -6.674
  335    H    THR  40           HN       THR  40   0.981  -6.758  -1.999
  336    HA   THR  40           HA       THR  40   0.516  -7.795  -4.694
  337    HB   THR  40           HB       THR  40   1.358  -9.943  -3.643
  338    HG1  THR  40           HG1      THR  40   2.259  -8.293  -1.544
  339   1HG2  THR  40          HG21      THR  40   3.279  -7.663  -3.287
  340   2HG2  THR  40          HG22      THR  40   2.816  -8.274  -4.870
  341   3HG2  THR  40          HG23      THR  40   3.643  -9.332  -3.722
  342    H    GLU  41           HN       GLU  41  -1.556  -8.123  -5.152
  343    HA   GLU  41           HA       GLU  41  -3.466  -8.726  -3.093
  344   1HB   GLU  41          HB2       GLU  41  -3.762  -8.427  -6.071
  345   2HB   GLU  41          HB3       GLU  41  -5.103  -8.707  -4.969
  346   1HG   GLU  41          HG3       GLU  41  -4.537  -6.622  -3.795
  347   2HG   GLU  41          HG2       GLU  41  -3.247  -6.345  -4.952
  348    H    GLN  42           HN       GLN  42  -4.600 -10.466  -2.742
  349    HA   GLN  42           HA       GLN  42  -4.003 -12.886  -4.290
  350   1HB   GLN  42          HB3       GLN  42  -2.906 -13.010  -2.088
  351   2HB   GLN  42          HB2       GLN  42  -4.430 -12.650  -1.293
  352   1HG   GLN  42          HG2       GLN  42  -5.359 -14.757  -2.082
  353   2HG   GLN  42          HG3       GLN  42  -3.855 -15.105  -2.941
  354   1HE2  GLN  42          HE21      GLN  42  -2.583 -16.457  -1.948
  355   2HE2  GLN  42          HE22      GLN  42  -2.506 -16.712  -0.236
  356    H    ASP  43           HN       ASP  43  -5.796 -13.940  -5.004
  357    HA   ASP  43           HA       ASP  43  -8.348 -12.676  -4.545
  358   1HB   ASP  43          HB2       ASP  43  -7.614 -13.481  -6.801
  359   2HB   ASP  43          HB3       ASP  43  -7.836 -15.127  -6.211
  360    H    ALA  44           HN       ALA  44 -10.308 -13.853  -4.067
  361    HA   ALA  44           HA       ALA  44  -9.964 -15.602  -1.799
  362   1HB   ALA  44          HB1       ALA  44 -12.675 -15.336  -2.247
  363   2HB   ALA  44          HB2       ALA  44 -11.674 -14.359  -1.164
  364   3HB   ALA  44          HB3       ALA  44 -11.989 -13.809  -2.813
  365    H    SER  45           HN       SER  45  -9.092 -16.925  -3.973
  366    HA   SER  45           HA       SER  45  -9.194 -18.915  -5.030
  367   1HB   SER  45          HB2       SER  45 -11.364 -19.423  -3.041
  368   2HB   SER  45          HB3       SER  45 -10.580 -20.664  -4.003
  369    HG   SER  45           HG       SER  45  -9.104 -20.692  -2.515
  370    H    THR  46           HN       THR  46 -11.473 -16.701  -5.703
  371    HA   THR  46           HA       THR  46 -13.187 -18.561  -7.198
  372    HB   THR  46           HB       THR  46 -14.333 -16.190  -7.687
  373    HG1  THR  46           HG1      THR  46 -13.243 -14.741  -6.579
  374   1HG2  THR  46          HG21      THR  46 -15.599 -17.862  -6.640
  375   2HG2  THR  46          HG22      THR  46 -15.627 -16.480  -5.539
  376   3HG2  THR  46          HG23      THR  46 -14.583 -17.848  -5.202
  377    H    SER  47           HN       SER  47 -10.924 -15.943  -7.586
  378    HA   SER  47           HA       SER  47 -10.798 -16.514 -10.477
  379   1HB   SER  47          HB2       SER  47 -10.192 -13.857  -9.122
  380   2HB   SER  47          HB3       SER  47 -10.260 -14.168 -10.857
  381    HG   SER  47           HG       SER  47 -12.352 -13.884 -10.806
  382    HA   PRO  48           HA       PRO  48  -6.350 -17.203 -10.025
  383   1HB   PRO  48          HB2       PRO  48  -5.506 -14.389 -10.543
  384   2HB   PRO  48          HB3       PRO  48  -4.928 -15.881 -11.265
  385   1HG   PRO  48          HG2       PRO  48  -6.545 -14.239 -12.598
  386   2HG   PRO  48          HG3       PRO  48  -6.674 -16.010 -12.760
  387   1HD   PRO  48          HD3       PRO  48  -8.418 -14.095 -11.273
  388   2HD   PRO  48          HD2       PRO  48  -8.852 -15.597 -12.101
  389    HA   PRO  49           HA       PRO  49  -6.317 -15.777  -5.682
  390   1HB   PRO  49          HB3       PRO  49  -4.912 -17.894  -4.738
  391   2HB   PRO  49          HB2       PRO  49  -6.633 -18.019  -5.171
  392   1HG   PRO  49          HG2       PRO  49  -4.219 -18.693  -6.852
  393   2HG   PRO  49          HG3       PRO  49  -5.631 -19.715  -6.490
  394   1HD   PRO  49          HD2       PRO  49  -5.510 -18.368  -8.768
  395   2HD   PRO  49          HD3       PRO  49  -7.029 -18.462  -7.872
  396    H    SER  50           HN       SER  50  -4.322 -15.076  -7.846
  397    HA   SER  50           HA       SER  50  -2.287 -14.056  -6.088
  398   1HB   SER  50          HB3       SER  50  -0.541 -14.926  -7.929
  399   2HB   SER  50          HB2       SER  50  -0.946 -15.877  -6.497
  400    HG   SER  50           HG       SER  50  -1.921 -17.302  -7.706
  401    H    TYR  51           HN       TYR  51  -3.150 -12.047  -6.657
  402    HA   TYR  51           HA       TYR  51  -3.126 -11.351  -9.467
  403   1HB   TYR  51          HB2       TYR  51  -5.003 -10.674  -7.918
  404   2HB   TYR  51          HB3       TYR  51  -3.870  -9.585  -7.129
  405    HD1  TYR  51           HD1      TYR  51  -3.269  -7.466  -8.150
  406    HD2  TYR  51           HD2      TYR  51  -5.738 -10.242 -10.233
  407    HE1  TYR  51           HE1      TYR  51  -3.820  -5.730  -9.790
  408    HE2  TYR  51           HE2      TYR  51  -6.294  -8.506 -11.884
  409    HH   TYR  51           HH       TYR  51  -5.614  -5.203 -11.399
  410    H    THR  52           HN       THR  52  -1.009 -11.584  -7.033
  411    HA   THR  52           HA       THR  52   0.468  -9.215  -7.030
  412    HB   THR  52           HB       THR  52   0.727 -10.724  -5.222
  413    HG1  THR  52           HG1      THR  52   2.931 -11.030  -5.119
  414   1HG2  THR  52          HG21      THR  52   1.165 -12.949  -5.244
  415   2HG2  THR  52          HG22      THR  52   2.032 -12.881  -6.786
  416   3HG2  THR  52          HG23      THR  52   0.271 -12.800  -6.759
  417    H    HIS  53           HN       HIS  53   0.735  -8.537  -9.095
  418    HA   HIS  53           HA       HIS  53   3.110  -8.886 -10.383
  419   1HB   HIS  53          HB3       HIS  53   2.264 -11.221 -10.928
  420   2HB   HIS  53          HB2       HIS  53   0.989 -10.458 -11.879
  421    HD1  HIS  53           HD1      HIS  53   4.793 -10.491 -11.757
  422    HD2  HIS  53           HD2      HIS  53   1.675 -10.068 -14.470
  423    HE1  HIS  53           HE1      HIS  53   5.877 -10.235 -14.015
  424    HE2  HIS  53           HE2      HIS  53   3.979  -9.792 -15.599
  425    H    TYR  54           HN       TYR  54  -0.285  -8.321 -10.544
  426    HA   TYR  54           HA       TYR  54   0.054  -6.349 -12.682
  427   1HB   TYR  54          HB2       TYR  54  -2.507  -7.353 -11.428
  428   2HB   TYR  54          HB3       TYR  54  -2.362  -6.394 -12.891
  429    HD1  TYR  54           HD1      TYR  54  -1.380  -9.697 -11.477
  430    HD2  TYR  54           HD2      TYR  54  -2.358  -7.445 -14.944
  431    HE1  TYR  54           HE1      TYR  54  -1.344 -11.755 -12.820
  432    HE2  TYR  54           HE2      TYR  54  -2.322  -9.496 -16.295
  433    HH   TYR  54           HH       TYR  54  -2.577 -12.433 -15.177
  434    H    SER  55           HN       SER  55  -0.807  -6.684  -9.311
  435    HA   SER  55           HA       SER  55  -1.825  -4.042  -9.025
  436   1HB   SER  55          HB3       SER  55  -1.634  -4.638  -6.543
  437   2HB   SER  55          HB2       SER  55  -2.680  -5.660  -7.532
  438    HG   SER  55           HG       SER  55  -0.263  -6.231  -6.292
  439    H    SER  56           HN       SER  56  -0.384  -2.436  -9.523
  440    HA   SER  56           HA       SER  56   1.882  -2.147  -7.699
  441   1HB   SER  56          HB2       SER  56   2.143  -1.944 -10.708
  442   2HB   SER  56          HB3       SER  56   3.413  -1.576  -9.541
  443    HG   SER  56           HG       SER  56   2.501  -4.008 -10.461
  444    H    ILE  57           HN       ILE  57   1.911  -0.167  -6.879
  445    HA   ILE  57           HA       ILE  57   0.818   2.072  -8.459
  446    HB   ILE  57           HB       ILE  57   0.436   1.440  -5.535
  447   1HG1  ILE  57          HG13      ILE  57  -1.208   0.605  -7.200
  448   2HG1  ILE  57          HG12      ILE  57  -1.916   1.746  -6.055
  449   1HG2  ILE  57          HG21      ILE  57  -0.705   3.978  -6.289
  450   2HG2  ILE  57          HG22      ILE  57   0.338   3.578  -4.927
  451   3HG2  ILE  57          HG23      ILE  57   1.049   3.988  -6.495
  452   1HD1  ILE  57          HD11      ILE  57  -1.674   3.531  -7.767
  453   2HD1  ILE  57          HD12      ILE  57  -1.130   2.293  -8.911
  454   3HD1  ILE  57          HD13      ILE  57  -2.767   2.223  -8.236
  455    H    ARG  58           HN       ARG  58   2.012   3.979  -8.392
  456    HA   ARG  58           HA       ARG  58   4.490   3.851  -6.830
  457   1HB   ARG  58          HB2       ARG  58   5.808   4.788  -8.516
  458   2HB   ARG  58          HB3       ARG  58   4.846   3.588  -9.357
  459   1HG   ARG  58          HG3       ARG  58   4.188   6.506  -9.297
  460   2HG   ARG  58          HG2       ARG  58   5.154   5.723 -10.556
  461   1HD   ARG  58          HD2       ARG  58   2.365   4.851  -9.850
  462   2HD   ARG  58          HD3       ARG  58   2.718   6.053 -11.087
  463    HE   ARG  58           HE       ARG  58   2.903   3.242 -11.370
  464   1HH1  ARG  58          HH12      ARG  58   3.532   5.936 -13.616
  465   2HH1  ARG  58          HH11      ARG  58   5.108   5.989 -12.902
  466   1HH2  ARG  58          HH21      ARG  58   3.517   2.951 -14.060
  467   2HH2  ARG  58          HH22      ARG  58   5.025   2.583 -13.261
  468    H    LEU  59           HN       LEU  59   4.902   5.639  -5.549
  469    HA   LEU  59           HA       LEU  59   2.858   7.630  -5.474
  470   1HB   LEU  59          HB2       LEU  59   5.368   7.470  -3.817
  471   2HB   LEU  59          HB3       LEU  59   3.836   8.230  -3.404
  472    HG   LEU  59           HG       LEU  59   3.992   5.279  -3.856
  473   1HD1  LEU  59          HD21      LEU  59   5.210   6.751  -1.661
  474   2HD1  LEU  59          HD22      LEU  59   4.029   5.548  -1.132
  475   3HD1  LEU  59          HD23      LEU  59   5.387   5.060  -2.147
  476   1HD2  LEU  59          HD11      LEU  59   2.193   6.971  -2.147
  477   2HD2  LEU  59          HD12      LEU  59   1.814   6.404  -3.778
  478   3HD2  LEU  59          HD13      LEU  59   2.036   5.242  -2.464
  479    H    ASP  60           HN       ASP  60   4.100   7.756  -7.821
  480    HA   ASP  60           HA       ASP  60   6.050   9.925  -7.682
  481   1HB   ASP  60          HB2       ASP  60   6.759   8.117  -9.118
  482   2HB   ASP  60          HB3       ASP  60   5.210   8.159  -9.958
  483    H    LYS  61           HN       LYS  61   3.109   8.980  -9.434
  484    HA   LYS  61           HA       LYS  61   2.186  11.736  -9.261
  485   1HB   LYS  61          HB2       LYS  61   2.537  10.273 -11.881
  486   2HB   LYS  61          HB3       LYS  61   1.530  11.705 -11.701
  487   1HG   LYS  61          HG3       LYS  61   3.446  13.020 -11.063
  488   2HG   LYS  61          HG2       LYS  61   4.466  11.588 -11.078
  489   1HD   LYS  61          HD2       LYS  61   4.155  11.342 -13.463
  490   2HD   LYS  61          HD3       LYS  61   3.061  12.723 -13.486
  491   1HE   LYS  61          HE3       LYS  61   5.282  13.387 -14.238
  492   2HE   LYS  61          HE2       LYS  61   4.890  14.174 -12.704
  493   1HZ   LYS  61          HZ1       LYS  61   7.043  13.454 -12.370
  494   2HZ   LYS  61          HZ2       LYS  61   6.830  12.015 -13.241
  495   3HZ   LYS  61          HZ3       LYS  61   6.164  12.170 -11.698
  496    H    TYR  62           HN       TYR  62   0.728  10.723  -7.768
  497    HA   TYR  62           HA       TYR  62  -1.566   9.509  -9.138
  498   1HB   TYR  62          HB3       TYR  62  -1.783   7.731  -7.605
  499   2HB   TYR  62          HB2       TYR  62  -0.055   7.779  -7.936
  500    HD1  TYR  62           HD1      TYR  62  -2.613   7.993  -5.427
  501    HD2  TYR  62           HD2      TYR  62   1.477   8.916  -6.222
  502    HE1  TYR  62           HE1      TYR  62  -2.199   8.247  -3.021
  503    HE2  TYR  62           HE2      TYR  62   1.895   9.150  -3.802
  504    HH   TYR  62           HH       TYR  62   0.559   8.113  -1.556
  505    H    ASN  63           HN       ASN  63  -3.516   9.492  -7.536
  506    HA   ASN  63           HA       ASN  63  -3.375  11.821  -5.746
  507   1HB   ASN  63          HB3       ASN  63  -4.540  12.372  -7.959
  508   2HB   ASN  63          HB2       ASN  63  -5.783  11.230  -7.475
  509   1HD2  ASN  63          HD21      ASN  63  -4.983  14.393  -7.523
  510   2HD2  ASN  63          HD22      ASN  63  -5.830  14.974  -6.128
  511    H    ILE  64           HN       ILE  64  -4.098  11.306  -3.781
  512    HA   ILE  64           HA       ILE  64  -5.634   8.806  -3.552
  513    HB   ILE  64           HB       ILE  64  -3.345   8.699  -2.608
  514   1HG1  ILE  64          HG12      ILE  64  -5.509   8.533  -0.507
  515   2HG1  ILE  64          HG13      ILE  64  -5.230   7.316  -1.751
  516   1HG2  ILE  64          HG21      ILE  64  -4.374  10.756  -0.659
  517   2HG2  ILE  64          HG22      ILE  64  -2.832   9.907  -0.543
  518   3HG2  ILE  64          HG23      ILE  64  -3.141  11.018  -1.884
  519   1HD1  ILE  64          HD11      ILE  64  -3.988   6.366  -0.135
  520   2HD1  ILE  64          HD12      ILE  64  -2.765   7.498  -0.721
  521   3HD1  ILE  64          HD13      ILE  64  -3.724   7.894   0.706
  522    H    ARG  65           HN       ARG  65  -7.274   8.662  -2.085
  523    HA   ARG  65           HA       ARG  65  -8.198  11.071  -0.710
  524   1HB   ARG  65          HB3       ARG  65  -9.927   9.346  -2.494
  525   2HB   ARG  65          HB2       ARG  65 -10.492  10.688  -1.501
  526   1HG   ARG  65          HG2       ARG  65  -8.555  10.919  -3.799
  527   2HG   ARG  65          HG3       ARG  65 -10.287  11.285  -3.868
  528   1HD   ARG  65          HD2       ARG  65  -8.335  12.621  -2.012
  529   2HD   ARG  65          HD3       ARG  65  -8.839  13.280  -3.566
  530    HE   ARG  65           HE       ARG  65 -11.178  12.788  -2.235
  531   1HH1  ARG  65          HH11      ARG  65  -8.553  15.403  -1.609
  532   2HH1  ARG  65          HH12      ARG  65  -8.771  14.628  -0.056
  533   1HH2  ARG  65          HH21      ARG  65 -12.015  15.396  -1.504
  534   2HH2  ARG  65          HH22      ARG  65 -11.697  14.627   0.029
  535    H    GLN  66           HN       GLN  66 -10.705   9.819   0.022
  536    HA   GLN  66           HA       GLN  66 -10.357   7.236   1.144
  537   1HB   GLN  66          HB3       GLN  66 -10.178   7.887   3.527
  538   2HB   GLN  66          HB2       GLN  66  -8.755   8.389   2.605
  539   1HG   GLN  66          HG3       GLN  66  -9.581  10.652   2.502
  540   2HG   GLN  66          HG2       GLN  66 -11.083  10.173   3.289
  541   1HE2  GLN  66          HE21      GLN  66  -8.132  11.546   3.766
  542   2HE2  GLN  66          HE22      GLN  66  -8.073  11.399   5.505
  543    H    HIS  67           HN       HIS  67 -12.282   6.585   2.337
  544    HA   HIS  67           HA       HIS  67 -14.479   8.533   2.209
  545   1HB   HIS  67          HB3       HIS  67 -14.526   5.708   1.148
  546   2HB   HIS  67          HB2       HIS  67 -15.985   6.646   1.452
  547    HD1  HIS  67           HD1      HIS  67 -15.482   9.293   0.213
  548    HD2  HIS  67           HD2      HIS  67 -14.035   5.787  -1.477
  549    HE1  HIS  67           HE1      HIS  67 -15.026   9.839  -2.203
  550    HE2  HIS  67           HE2      HIS  67 -14.036   7.736  -3.175
  551    H    THR  68           HN       THR  68 -15.247   8.766   4.199
  552    HA   THR  68           HA       THR  68 -14.952   6.533   6.079
  553    HB   THR  68           HB       THR  68 -15.394   8.417   7.765
  554    HG1  THR  68           HG1      THR  68 -14.507  10.417   6.363
  555   1HG2  THR  68          HG21      THR  68 -13.143   7.473   7.215
  556   2HG2  THR  68          HG22      THR  68 -13.146   9.154   7.780
  557   3HG2  THR  68          HG23      THR  68 -12.946   8.798   6.076
  558    H    THR  69           HN       THR  69 -17.045   8.839   7.253
  559    HA   THR  69           HA       THR  69 -19.253   9.008   7.638
  560    HB   THR  69           HB       THR  69 -19.500   7.446   5.060
  561    HG1  THR  69           HG1      THR  69 -18.838  10.029   5.649
  562   1HG2  THR  69          HG21      THR  69 -21.565   9.311   6.166
  563   2HG2  THR  69          HG22      THR  69 -21.577   7.588   6.533
  564   3HG2  THR  69          HG23      THR  69 -21.713   8.131   4.861
  565    H    ASP  70           HN       ASP  70 -18.890   5.677   6.355
  566    HA   ASP  70           HA       ASP  70 -19.933   4.677   8.918
  567   1HB   ASP  70          HB2       ASP  70 -21.059   2.821   7.695
  568   2HB   ASP  70          HB3       ASP  70 -21.750   4.402   7.349
  569    H    GLU  71           HN       GLU  71 -18.229   3.816   5.953
  570    HA   GLU  71           HA       GLU  71 -16.481   2.073   7.555
  571   1HB   GLU  71          HB3       GLU  71 -17.766   1.707   4.895
  572   2HB   GLU  71          HB2       GLU  71 -16.145   1.056   5.110
  573   1HG   GLU  71          HG3       GLU  71 -18.270   0.456   7.124
  574   2HG   GLU  71          HG2       GLU  71 -18.227  -0.434   5.597
  575    H    ASP  72           HN       ASP  72 -14.823   3.326   7.967
  576    HA   ASP  72           HA       ASP  72 -13.810   5.346   6.270
  577   1HB   ASP  72          HB2       ASP  72 -12.255   4.052   8.510
  578   2HB   ASP  72          HB3       ASP  72 -12.123   5.703   7.914
  579    H    THR  73           HN       THR  73 -13.317   4.386   4.242
  580    HA   THR  73           HA       THR  73 -11.035   2.541   4.247
  581    HB   THR  73           HB       THR  73 -13.169   3.099   2.173
  582    HG1  THR  73           HG1      THR  73 -13.963   1.097   2.694
  583   1HG2  THR  73          HG21      THR  73 -10.723   1.423   2.012
  584   2HG2  THR  73          HG22      THR  73 -11.508   2.416   0.786
  585   3HG2  THR  73          HG23      THR  73 -12.203   0.860   1.241
  586    H    ILE  74           HN       ILE  74  -9.230   2.963   2.948
  587    HA   ILE  74           HA       ILE  74  -8.940   5.766   2.156
  588    HB   ILE  74           HB       ILE  74  -6.910   3.520   2.205
  589   1HG1  ILE  74          HG12      ILE  74  -7.647   4.196   4.442
  590   2HG1  ILE  74          HG13      ILE  74  -5.974   4.677   4.154
  591   1HG2  ILE  74          HG21      ILE  74  -5.706   4.792   0.858
  592   2HG2  ILE  74          HG22      ILE  74  -6.826   6.144   1.001
  593   3HG2  ILE  74          HG23      ILE  74  -5.549   5.916   2.196
  594   1HD1  ILE  74          HD11      ILE  74  -6.820   6.962   3.612
  595   2HD1  ILE  74          HD12      ILE  74  -8.409   6.429   4.140
  596   3HD1  ILE  74          HD13      ILE  74  -7.068   6.452   5.282
  597    H    VAL  75           HN       VAL  75  -8.970   6.389   0.027
  598    HA   VAL  75           HA       VAL  75  -8.971   4.238  -1.988
  599    HB   VAL  75           HB       VAL  75 -10.994   6.461  -1.678
  600   1HG1  VAL  75          HG21      VAL  75 -10.316   6.412  -4.003
  601   2HG1  VAL  75          HG22      VAL  75 -10.596   4.667  -4.071
  602   3HG1  VAL  75          HG23      VAL  75 -11.950   5.775  -3.825
  603   1HG2  VAL  75          HG11      VAL  75 -11.015   3.823  -0.824
  604   2HG2  VAL  75          HG12      VAL  75 -12.405   4.903  -0.952
  605   3HG2  VAL  75          HG13      VAL  75 -11.998   3.822  -2.282
  606    H    LEU  76           HN       LEU  76  -7.445   4.633  -3.495
  607    HA   LEU  76           HA       LEU  76  -6.634   7.403  -3.916
  608   1HB   LEU  76          HB3       LEU  76  -4.752   6.434  -5.274
  609   2HB   LEU  76          HB2       LEU  76  -4.718   6.094  -3.556
  610    HG   LEU  76           HG       LEU  76  -5.983   4.126  -5.353
  611   1HD1  LEU  76          HD21      LEU  76  -3.103   3.754  -4.945
  612   2HD1  LEU  76          HD22      LEU  76  -4.109   3.414  -6.353
  613   3HD1  LEU  76          HD23      LEU  76  -3.553   5.059  -6.049
  614   1HD2  LEU  76          HD11      LEU  76  -5.375   2.574  -3.706
  615   2HD2  LEU  76          HD12      LEU  76  -4.181   3.670  -2.997
  616   3HD2  LEU  76          HD13      LEU  76  -5.904   3.999  -2.817
  617    H    GLN  77           HN       GLN  77  -6.796   8.424  -5.859
  618    HA   GLN  77           HA       GLN  77  -8.715   7.188  -7.696
  619   1HB   GLN  77          HB2       GLN  77  -8.041  10.041  -7.038
  620   2HB   GLN  77          HB3       GLN  77  -8.988   9.616  -8.450
  621   1HG   GLN  77          HG3       GLN  77  -9.690   9.002  -5.583
  622   2HG   GLN  77          HG2       GLN  77 -10.428  10.244  -6.608
  623   1HE2  GLN  77          HE21      GLN  77 -12.173   9.726  -7.699
  624   2HE2  GLN  77          HE22      GLN  77 -12.681   8.114  -8.125
  625    HA   PRO  78           HA       PRO  78  -5.823   7.150 -11.003
  626   1HB   PRO  78          HB3       PRO  78  -7.543   7.199 -13.115
  627   2HB   PRO  78          HB2       PRO  78  -7.276   5.763 -12.116
  628   1HG   PRO  78          HG2       PRO  78  -9.566   7.641 -12.155
  629   2HG   PRO  78          HG3       PRO  78  -9.525   5.912 -11.773
  630   1HD   PRO  78          HD3       PRO  78  -9.648   8.006  -9.925
  631   2HD   PRO  78          HD2       PRO  78  -9.218   6.322  -9.558
  632    H    GLN  79           HN       GLN  79  -4.929   9.249 -10.545
  633    HA   GLN  79           HA       GLN  79  -6.061  11.689 -11.299
  634   1HB   GLN  79          HB2       GLN  79  -3.864  12.644 -11.037
  635   2HB   GLN  79          HB3       GLN  79  -4.110  11.438  -9.784
  636   1HG   GLN  79          HG3       GLN  79  -2.034  10.823 -10.365
  637   2HG   GLN  79          HG2       GLN  79  -2.880   9.918 -11.615
  638   1HE2  GLN  79          HE21      GLN  79  -3.181  13.167 -12.249
  639   2HE2  GLN  79          HE22      GLN  79  -2.002  13.248 -13.497
  640    H    GLU  80           HN       GLU  80  -4.496   9.236 -13.170
  641    HA   GLU  80           HA       GLU  80  -5.127  10.712 -15.577
  642   1HB   GLU  80          HB3       GLU  80  -2.534  10.690 -14.681
  643   2HB   GLU  80          HB2       GLU  80  -2.562   9.261 -15.703
  644   1HG   GLU  80          HG2       GLU  80  -3.519  10.693 -17.526
  645   2HG   GLU  80          HG3       GLU  80  -3.197  12.090 -16.497
  646    HA   PRO  81           HA       PRO  81  -6.902   6.879 -16.830
  647   1HB   PRO  81          HB3       PRO  81  -5.374   7.103 -19.374
  648   2HB   PRO  81          HB2       PRO  81  -7.110   6.876 -19.113
  649   1HG   PRO  81          HG2       PRO  81  -6.088   9.239 -19.854
  650   2HG   PRO  81          HG3       PRO  81  -7.483   9.123 -18.775
  651   1HD   PRO  81          HD3       PRO  81  -4.664   9.841 -18.168
  652   2HD   PRO  81          HD2       PRO  81  -6.167  10.355 -17.360
  653    H    GLY  82           HN       GLY  82  -3.455   7.256 -16.969
  654   1HA   GLY  82          HA1       GLY  82  -2.950   4.434 -17.435
  655   2HA   GLY  82          HA2       GLY  82  -1.742   5.681 -17.180
  656    H    LEU  83           HN       LEU  83  -3.684   6.332 -14.773
  657    HA   LEU  83           HA       LEU  83  -2.236   4.608 -12.896
  658   1HB   LEU  83          HB3       LEU  83  -2.421   7.255 -12.903
  659   2HB   LEU  83          HB2       LEU  83  -3.922   6.928 -12.061
  660    HG   LEU  83           HG       LEU  83  -1.992   7.444 -10.580
  661   1HD1  LEU  83          HD11      LEU  83  -2.368   4.942  -9.435
  662   2HD1  LEU  83          HD12      LEU  83  -3.317   6.402  -9.143
  663   3HD1  LEU  83          HD13      LEU  83  -3.840   5.242 -10.365
  664   1HD2  LEU  83          HD21      LEU  83  -0.919   4.733 -11.322
  665   2HD2  LEU  83          HD22      LEU  83  -0.306   6.247 -11.998
  666   3HD2  LEU  83          HD23      LEU  83  -0.202   5.932 -10.268
  667    HA   PRO  84           HA       PRO  84  -6.134   2.436 -12.391
  668   1HB   PRO  84          HB2       PRO  84  -5.287   0.585 -10.615
  669   2HB   PRO  84          HB3       PRO  84  -4.841   0.536 -12.322
  670   1HG   PRO  84          HG2       PRO  84  -3.243   1.437  -9.969
  671   2HG   PRO  84          HG3       PRO  84  -2.715   0.585 -11.429
  672   1HD   PRO  84          HD2       PRO  84  -2.399   3.292 -10.979
  673   2HD   PRO  84          HD3       PRO  84  -2.365   2.495 -12.567
  674    H    SER  85           HN       SER  85  -7.684   1.901 -10.693
  675    HA   SER  85           HA       SER  85  -7.305   3.507  -8.264
  676   1HB   SER  85          HB3       SER  85  -9.810   3.989  -8.437
  677   2HB   SER  85          HB2       SER  85  -8.759   4.828  -9.580
  678    HG   SER  85           HG       SER  85  -9.303   2.865 -10.972
  679    H    PHE  86           HN       PHE  86  -8.079   2.674  -6.376
  680    HA   PHE  86           HA       PHE  86  -9.874   0.490  -6.280
  681   1HB   PHE  86          HB2       PHE  86  -8.522  -1.264  -5.407
  682   2HB   PHE  86          HB3       PHE  86  -7.746  -0.706  -6.881
  683    HD1  PHE  86           HD1      PHE  86  -5.846   1.072  -6.553
  684    HD2  PHE  86           HD2      PHE  86  -7.246  -1.558  -3.513
  685    HE1  PHE  86           HE1      PHE  86  -3.713   1.341  -5.334
  686    HE2  PHE  86           HE2      PHE  86  -5.132  -1.285  -2.296
  687    HZ   PHE  86           HZ       PHE  86  -3.365   0.165  -3.194
  688    H    ARG  87           HN       ARG  87  -9.886  -0.380  -3.848
  689    HA   ARG  87           HA       ARG  87  -9.505   1.956  -2.114
  690   1HB   ARG  87          HB3       ARG  87 -11.599   1.076  -0.927
  691   2HB   ARG  87          HB2       ARG  87 -11.820   1.921  -2.461
  692   1HG   ARG  87          HG3       ARG  87 -11.619  -0.476  -3.452
  693   2HG   ARG  87          HG2       ARG  87 -12.045  -0.952  -1.816
  694   1HD   ARG  87          HD3       ARG  87 -14.114   0.148  -1.920
  695   2HD   ARG  87          HD2       ARG  87 -13.615   1.074  -3.336
  696    HE   ARG  87           HE       ARG  87 -13.550  -1.662  -3.964
  697   1HH1  ARG  87          HH12      ARG  87 -16.052   0.890  -4.931
  698   2HH1  ARG  87          HH11      ARG  87 -16.694   0.395  -3.394
  699   1HH2  ARG  87          HH21      ARG  87 -15.471  -1.854  -5.989
  700   2HH2  ARG  87          HH22      ARG  87 -16.478  -2.487  -4.718
  701    H    ILE  88           HN       ILE  88  -8.845   1.559  -0.027
  702    HA   ILE  88           HA       ILE  88  -8.331  -1.242   0.672
  703    HB   ILE  88           HB       ILE  88  -6.181  -0.178   1.802
  704   1HG1  ILE  88          HG12      ILE  88  -6.452   1.410  -0.757
  705   2HG1  ILE  88          HG13      ILE  88  -6.696   2.077   0.856
  706   1HG2  ILE  88          HG21      ILE  88  -4.896  -1.192   0.075
  707   2HG2  ILE  88          HG22      ILE  88  -6.395  -2.119   0.259
  708   3HG2  ILE  88          HG23      ILE  88  -6.213  -0.993  -1.087
  709   1HD1  ILE  88          HD11      ILE  88  -4.411   1.690   1.421
  710   2HD1  ILE  88          HD12      ILE  88  -4.133   0.861  -0.110
  711   3HD1  ILE  88          HD13      ILE  88  -4.500   2.579  -0.099
  712    H    LYS  89           HN       LYS  89  -9.503  -1.618   2.433
  713    HA   LYS  89           HA       LYS  89  -9.730   0.546   4.383
  714   1HB   LYS  89          HB3       LYS  89 -11.627  -0.684   5.315
  715   2HB   LYS  89          HB2       LYS  89 -11.877  -0.343   3.608
  716   1HG   LYS  89          HG2       LYS  89 -11.757  -2.544   3.006
  717   2HG   LYS  89          HG3       LYS  89 -10.744  -2.978   4.388
  718   1HD   LYS  89          HD2       LYS  89 -13.047  -3.859   4.538
  719   2HD   LYS  89          HD3       LYS  89 -12.613  -2.807   5.884
  720   1HE   LYS  89          HE2       LYS  89 -14.088  -1.810   3.468
  721   2HE   LYS  89          HE3       LYS  89 -14.922  -2.527   4.840
  722   1HZ   LYS  89          HZ1       LYS  89 -13.118  -0.472   5.668
  723   2HZ   LYS  89          HZ2       LYS  89 -14.767  -0.631   5.980
  724   3HZ   LYS  89          HZ3       LYS  89 -14.237   0.117   4.558
  725    HA   PRO  90           HA       PRO  90  -6.912  -1.514   6.991
  726   1HB   PRO  90          HB2       PRO  90  -8.154  -0.060   9.218
  727   2HB   PRO  90          HB3       PRO  90  -6.539   0.120   8.516
  728   1HG   PRO  90          HG2       PRO  90  -8.414   2.011   8.187
  729   2HG   PRO  90          HG3       PRO  90  -7.262   1.609   6.889
  730   1HD   PRO  90          HD2       PRO  90 -10.100   0.673   7.253
  731   2HD   PRO  90          HD3       PRO  90  -9.315   1.326   5.789
  732    H    LYS  91           HN       LYS  91  -8.817  -3.305   6.468
  733    HA   LYS  91           HA       LYS  91  -9.426  -4.404   9.120
  734   1HB   LYS  91          HB2       LYS  91 -11.124  -4.506   6.626
  735   2HB   LYS  91          HB3       LYS  91 -11.289  -5.697   7.909
  736   1HG   LYS  91          HG3       LYS  91 -11.783  -3.890   9.503
  737   2HG   LYS  91          HG2       LYS  91 -11.679  -2.718   8.181
  738   1HD   LYS  91          HD3       LYS  91 -13.544  -3.747   7.060
  739   2HD   LYS  91          HD2       LYS  91 -13.597  -5.047   8.255
  740   1HE   LYS  91          HE3       LYS  91 -14.136  -3.407  10.002
  741   2HE   LYS  91          HE2       LYS  91 -14.111  -2.126   8.796
  742   1HZ   LYS  91          HZ1       LYS  91 -16.352  -3.048   9.425
  743   2HZ   LYS  91          HZ2       LYS  91 -15.929  -4.454   8.574
  744   3HZ   LYS  91          HZ3       LYS  91 -16.022  -2.960   7.757
  745    H    ASP  92           HN       ASP  92  -7.474  -5.354   9.127
  746    HA   ASP  92           HA       ASP  92  -6.461  -6.946   7.016
  747   1HB   ASP  92          HB2       ASP  92  -4.754  -7.622   8.748
  748   2HB   ASP  92          HB3       ASP  92  -4.885  -5.901   8.415
  749    H    PHE  93           HN       PHE  93  -7.569  -7.993  10.289
  750    HA   PHE  93           HA       PHE  93  -8.918 -10.234   9.166
  751   1HB   PHE  93          HB2       PHE  93  -7.558 -12.050   9.873
  752   2HB   PHE  93          HB3       PHE  93  -6.507 -10.955   8.992
  753    HD1  PHE  93           HD1      PHE  93  -5.425  -9.074  10.716
  754    HD2  PHE  93           HD2      PHE  93  -6.599 -13.057  11.645
  755    HE1  PHE  93           HE1      PHE  93  -3.809  -9.106  12.573
  756    HE2  PHE  93           HE2      PHE  93  -4.998 -13.102  13.513
  757    HZ   PHE  93           HZ       PHE  93  -3.591 -11.122  13.980
  758    H    GLU  94           HN       GLU  94  -9.149 -11.970  11.078
  759    HA   GLU  94           HA       GLU  94 -10.986 -10.975  12.867
  760   1HB   GLU  94          HB3       GLU  94 -10.872 -13.300  12.278
  761   2HB   GLU  94          HB2       GLU  94  -9.262 -13.448  12.960
  762   1HG   GLU  94          HG3       GLU  94 -10.869 -14.501  14.391
  763   2HG   GLU  94          HG2       GLU  94 -10.188 -13.089  15.197
  764    H    THR  95           HN       THR  95 -10.847  -9.814  14.621
  765    HA   THR  95           HA       THR  95 -10.093  -8.702  16.430
  766    HB   THR  95           HB       THR  95  -8.345 -11.144  16.816
  767    HG1  THR  95           HG1      THR  95 -10.774 -11.345  16.554
  768   1HG2  THR  95          HG21      THR  95  -7.602  -9.972  18.578
  769   2HG2  THR  95          HG22      THR  95  -9.174 -10.372  19.286
  770   3HG2  THR  95          HG23      THR  95  -8.931  -8.812  18.496
  771    H    SER  96           HN       SER  96  -9.144  -6.911  15.662
  772    HA   SER  96           HA       SER  96  -6.396  -6.560  16.019
  773   1HB   SER  96          HB3       SER  96  -6.464  -7.907  13.850
  774   2HB   SER  96          HB2       SER  96  -7.208  -6.500  13.107
  775    HG   SER  96           HG       SER  96  -4.938  -6.545  12.808
  776    H    GLU  97           HN       GLU  97  -7.910  -5.009  13.282
  777    HA   GLU  97           HA       GLU  97  -8.667  -2.959  12.826
  778   1HB   GLU  97          HB3       GLU  97 -10.480  -3.786  14.231
  779   2HB   GLU  97          HB2       GLU  97  -9.642  -3.177  15.648
  780   1HG   GLU  97          HG2       GLU  97  -9.967  -0.904  14.924
  781   2HG   GLU  97          HG3       GLU  97 -10.620  -1.448  13.388
  782    H    TYR  98           HN       TYR  98  -6.172  -3.340  14.924
  783    HA   TYR  98           HA       TYR  98  -5.874  -0.735  15.981
  784   1HB   TYR  98          HB2       TYR  98  -3.841  -2.891  15.376
  785   2HB   TYR  98          HB3       TYR  98  -3.463  -1.399  16.237
  786    HD1  TYR  98           HD1      TYR  98  -5.124  -0.931  18.296
  787    HD2  TYR  98           HD2      TYR  98  -4.278  -4.768  16.656
  788    HE1  TYR  98           HE1      TYR  98  -5.787  -1.982  20.415
  789    HE2  TYR  98           HE2      TYR  98  -4.882  -5.819  18.794
  790    HH   TYR  98           HH       TYR  98  -6.637  -4.318  21.136
  791    H    VAL  99           HN       VAL  99  -4.813  -2.310  12.987
  792    HA   VAL  99           HA       VAL  99  -3.219  -0.300  11.926
  793    HB   VAL  99           HB       VAL  99  -4.754  -2.635  10.883
  794   1HG1  VAL  99          HG21      VAL  99  -3.802  -2.162   8.582
  795   2HG1  VAL  99          HG22      VAL  99  -5.243  -1.275   9.076
  796   3HG1  VAL  99          HG23      VAL  99  -3.670  -0.485   9.114
  797   1HG2  VAL  99          HG11      VAL  99  -2.760  -3.619  10.759
  798   2HG2  VAL  99          HG12      VAL  99  -1.963  -2.180  10.130
  799   3HG2  VAL  99          HG13      VAL  99  -2.275  -2.340  11.859
  800    H    ARG 100           HN       ARG 100  -6.664  -0.494  12.193
  801    HA   ARG 100           HA       ARG 100  -7.479   1.135  10.096
  802   1HB   ARG 100          HB2       ARG 100  -8.932  -0.240  11.607
  803   2HB   ARG 100          HB3       ARG 100  -8.733   1.005  12.830
  804   1HG   ARG 100          HG3       ARG 100  -9.765   2.643  11.340
  805   2HG   ARG 100          HG2       ARG 100  -9.987   1.382  10.125
  806   1HD   ARG 100          HD3       ARG 100 -11.320   0.105  11.800
  807   2HD   ARG 100          HD2       ARG 100 -11.216   1.499  12.870
  808    HE   ARG 100           HE       ARG 100 -12.213   2.348  10.389
  809   1HH1  ARG 100          HH12      ARG 100 -13.880  -0.326  12.137
  810   2HH1  ARG 100          HH11      ARG 100 -14.183   0.872  13.358
  811   1HH2  ARG 100          HH21      ARG 100 -14.564   3.138  10.586
  812   2HH2  ARG 100          HH22      ARG 100 -15.503   1.669  10.713
  813    H    LYS 101           HN       LYS 101  -6.259   2.011  13.269
  814    HA   LYS 101           HA       LYS 101  -6.870   4.795  12.858
  815   1HB   LYS 101          HB3       LYS 101  -5.426   3.345  15.056
  816   2HB   LYS 101          HB2       LYS 101  -5.703   5.066  15.047
  817   1HG   LYS 101          HG2       LYS 101  -8.118   4.677  14.983
  818   2HG   LYS 101          HG3       LYS 101  -7.815   2.935  15.022
  819   1HD   LYS 101          HD2       LYS 101  -8.383   3.842  17.236
  820   2HD   LYS 101          HD3       LYS 101  -6.781   3.110  17.186
  821   1HE   LYS 101          HE2       LYS 101  -5.744   5.300  17.062
  822   2HE   LYS 101          HE3       LYS 101  -7.332   6.071  16.965
  823   1HZ   LYS 101          HZ1       LYS 101  -5.921   5.611  19.245
  824   2HZ   LYS 101          HZ2       LYS 101  -7.079   4.375  19.256
  825   3HZ   LYS 101          HZ3       LYS 101  -7.572   5.994  19.143
  826    H    ALA 102           HN       ALA 102  -3.944   2.796  12.745
  827    HA   ALA 102           HA       ALA 102  -2.362   5.222  12.249
  828   1HB   ALA 102          HB1       ALA 102  -0.421   3.884  12.753
  829   2HB   ALA 102          HB2       ALA 102  -1.634   3.705  14.019
  830   3HB   ALA 102          HB3       ALA 102  -1.416   2.422  12.835
  831    H    TRP 103           HN       TRP 103  -4.002   3.787  10.081
  832    HA   TRP 103           HA       TRP 103  -1.695   3.621   8.278
  833   1HB   TRP 103          HB3       TRP 103  -4.071   1.873   8.313
  834   2HB   TRP 103          HB2       TRP 103  -3.520   2.414   6.726
  835    HD1  TRP 103           HD1      TRP 103  -2.114   0.563   9.834
  836    HE1  TRP 103           HE1      TRP 103  -0.306  -1.110   9.025
  837    HE3  TRP 103           HE3      TRP 103  -1.809   1.940   4.899
  838    HZ2  TRP 103           HZ2      TRP 103   1.064  -1.729   6.643
  839    HZ3  TRP 103           HZ3      TRP 103  -0.217   0.766   3.450
  840    HH2  TRP 103           HH2      TRP 103   1.193  -1.011   4.291
  841    H    LEU 104           HN       LEU 104  -4.426   5.303   9.177
  842    HA   LEU 104           HA       LEU 104  -5.021   6.577   6.676
  843   1HB   LEU 104          HB2       LEU 104  -5.631   7.188   9.562
  844   2HB   LEU 104          HB3       LEU 104  -5.853   8.440   8.365
  845    HG   LEU 104           HG       LEU 104  -7.473   7.030   7.178
  846   1HD1  LEU 104          HD11      LEU 104  -8.101   4.911   7.872
  847   2HD1  LEU 104          HD12      LEU 104  -6.344   4.907   8.040
  848   3HD1  LEU 104          HD13      LEU 104  -7.365   5.118   9.471
  849   1HD2  LEU 104          HD21      LEU 104  -8.395   6.944  10.007
  850   2HD2  LEU 104          HD22      LEU 104  -7.988   8.510   9.308
  851   3HD2  LEU 104          HD23      LEU 104  -9.241   7.501   8.570
  852    H    ARG 105           HN       ARG 105  -3.879   8.495   9.443
  853    HA   ARG 105           HA       ARG 105  -2.409  10.341   8.340
  854   1HB   ARG 105          HB2       ARG 105  -2.476  10.279  10.685
  855   2HB   ARG 105          HB3       ARG 105  -1.812   8.645  10.759
  856   1HG   ARG 105          HG2       ARG 105   0.355   9.382  10.452
  857   2HG   ARG 105          HG3       ARG 105  -0.142  10.888   9.693
  858   1HD   ARG 105          HD3       ARG 105  -0.716  10.282  12.577
  859   2HD   ARG 105          HD2       ARG 105   0.793  11.023  12.051
  860    HE   ARG 105           HE       ARG 105  -1.723  12.330  12.336
  861   1HH1  ARG 105          HH11      ARG 105   1.559  13.120  11.325
  862   2HH1  ARG 105          HH12      ARG 105   1.013  13.167   9.666
  863   1HH2  ARG 105          HH21      ARG 105  -1.230  14.908  11.956
  864   2HH2  ARG 105          HH22      ARG 105  -1.462  14.805  10.238
  865    H    ASP 106           HN       ASP 106  -0.925   7.126   8.927
  866    HA   ASP 106           HA       ASP 106   1.569   7.736   7.834
  867   1HB   ASP 106          HB2       ASP 106   0.148   5.177   8.398
  868   2HB   ASP 106          HB3       ASP 106   1.638   5.145   7.460
  869    H    ILE 107           HN       ILE 107  -1.386   6.930   6.146
  870    HA   ILE 107           HA       ILE 107  -0.008   6.156   3.739
  871    HB   ILE 107           HB       ILE 107  -2.369   5.387   4.390
  872   1HG1  ILE 107          HG13      ILE 107  -3.151   5.362   2.034
  873   2HG1  ILE 107          HG12      ILE 107  -1.875   6.511   1.635
  874   1HG2  ILE 107          HG21      ILE 107  -3.543   7.629   2.908
  875   2HG2  ILE 107          HG22      ILE 107  -4.166   6.727   4.292
  876   3HG2  ILE 107          HG23      ILE 107  -2.983   8.014   4.540
  877   1HD1  ILE 107          HD11      ILE 107  -0.695   4.324   3.000
  878   2HD1  ILE 107          HD12      ILE 107  -1.734   3.695   1.720
  879   3HD1  ILE 107          HD13      ILE 107  -0.462   4.855   1.327
  880    H    ALA 108           HN       ALA 108  -1.608   9.060   4.990
  881    HA   ALA 108           HA       ALA 108  -1.374  10.636   2.674
  882   1HB   ALA 108          HB1       ALA 108  -2.937  11.281   4.277
  883   2HB   ALA 108          HB2       ALA 108  -1.747  11.245   5.575
  884   3HB   ALA 108          HB3       ALA 108  -1.673  12.506   4.344
  885    H    GLU 109           HN       GLU 109   1.050   9.460   4.511
  886    HA   GLU 109           HA       GLU 109   2.976  11.308   3.445
  887   1HB   GLU 109          HB3       GLU 109   3.966  11.880   5.640
  888   2HB   GLU 109          HB2       GLU 109   2.345  12.527   5.453
  889   1HG   GLU 109          HG2       GLU 109   1.518  10.517   6.744
  890   2HG   GLU 109          HG3       GLU 109   3.214  10.172   7.112
  891    H    GLU 110           HN       GLU 110   2.531   8.708   2.892
  892    HA   GLU 110           HA       GLU 110   4.059   6.950   4.491
  893   1HB   GLU 110          HB2       GLU 110   3.659   5.286   2.867
  894   2HB   GLU 110          HB3       GLU 110   2.207   6.263   2.922
  895   1HG   GLU 110          HG2       GLU 110   4.344   6.451   0.807
  896   2HG   GLU 110          HG3       GLU 110   2.840   5.555   0.647
  897    H    GLN 111           HN       GLN 111   4.761   8.423   1.300
  898    HA   GLN 111           HA       GLN 111   7.440   7.499   1.286
  899   1HB   GLN 111          HB3       GLN 111   5.876   8.417  -0.641
  900   2HB   GLN 111          HB2       GLN 111   6.740   9.904  -0.268
  901   1HG   GLN 111          HG2       GLN 111   8.852   8.880  -0.723
  902   2HG   GLN 111          HG3       GLN 111   8.098   7.299  -0.889
  903   1HE2  GLN 111          HE21      GLN 111   6.064   9.500  -2.275
  904   2HE2  GLN 111          HE22      GLN 111   6.601   9.365  -3.925
  905    H    GLU 112           HN       GLU 112   5.958   9.942   2.982
  906    HA   GLU 112           HA       GLU 112   6.569  11.799   4.135
  907   1HB   GLU 112          HB2       GLU 112   7.780   9.394   4.923
  908   2HB   GLU 112          HB3       GLU 112   8.913  10.692   5.289
  909   1HG   GLU 112          HG2       GLU 112   6.033  10.605   6.152
  910   2HG   GLU 112          HG3       GLU 112   7.405  10.139   7.157
  911    H    LYS 113           HN       LYS 113   9.872  10.642   3.555
  912    HA   LYS 113           HA       LYS 113  10.983  13.212   3.453
  913   1HB   LYS 113          HB2       LYS 113  12.036  10.556   2.504
  914   2HB   LYS 113          HB3       LYS 113  12.992  12.032   2.475
  915   1HG   LYS 113          HG3       LYS 113  13.645  10.972   4.440
  916   2HG   LYS 113          HG2       LYS 113  12.485  12.188   4.978
  917   1HD   LYS 113          HD3       LYS 113  10.745  10.524   5.151
  918   2HD   LYS 113          HD2       LYS 113  11.814   9.288   4.493
  919   1HE   LYS 113          HE3       LYS 113  11.674   9.061   6.909
  920   2HE   LYS 113          HE2       LYS 113  13.300   9.564   6.444
  921   1HZ   LYS 113          HZ1       LYS 113  13.064  11.568   7.434
  922   2HZ   LYS 113          HZ2       LYS 113  11.945  10.732   8.387
  923   3HZ   LYS 113          HZ3       LYS 113  11.407  11.689   7.096
  924    H    TYR 114           HN       TYR 114   9.163  11.648   1.129
  925    HA   TYR 114           HA       TYR 114  10.389  12.417  -1.286
  926   1HB   TYR 114          HB3       TYR 114   8.493  10.820  -1.117
  927   2HB   TYR 114          HB2       TYR 114   7.433  12.157  -0.675
  928    HD1  TYR 114           HD1      TYR 114  10.010  11.670  -3.330
  929    HD2  TYR 114           HD2      TYR 114   5.980  12.651  -2.391
  930    HE1  TYR 114           HE1      TYR 114   9.553  12.020  -5.717
  931    HE2  TYR 114           HE2      TYR 114   5.502  13.006  -4.787
  932    HH   TYR 114           HH       TYR 114   6.669  13.499  -6.833
  933    H    ALA 115           HN       ALA 115   8.386  14.071   1.029
  934    HA   ALA 115           HA       ALA 115   8.445  16.531  -0.583
  935   1HB   ALA 115          HB1       ALA 115   6.780  16.945   1.610
  936   2HB   ALA 115          HB2       ALA 115   6.274  16.629  -0.053
  937   3HB   ALA 115          HB3       ALA 115   6.436  15.298   1.098
  938    H    ALA 116           HN       ALA 116  10.823  15.806   0.696
  939    HA   ALA 116           HA       ALA 116  10.985  17.020   3.297
  940   1HB   ALA 116          HB1       ALA 116  12.457  15.148   2.421
  941   2HB   ALA 116          HB2       ALA 116  13.306  16.386   1.493
  942   3HB   ALA 116          HB3       ALA 116  13.281  16.468   3.257
  943    H    GLU 117           HN       GLU 117  10.840  18.177   0.199
  944    HA   GLU 117           HA       GLU 117  11.486  20.033  -0.931
  945   1HB   GLU 117          HB2       GLU 117  10.642  22.124   0.211
  946   2HB   GLU 117          HB3       GLU 117   9.483  20.833  -0.041
  947   1HG   GLU 117          HG2       GLU 117   9.920  20.149   2.349
  948   2HG   GLU 117          HG3       GLU 117  10.803  21.664   2.521
  949    H    ARG 118           HN       ARG 118  13.802  19.164  -0.183
  950    HA   ARG 118           HA       ARG 118  15.213  21.499   0.945
  951   1HB   ARG 118          HB3       ARG 118  15.412  19.164   2.027
  952   2HB   ARG 118          HB2       ARG 118  16.380  18.728   0.623
  953   1HG   ARG 118          HG2       ARG 118  17.007  20.993   2.513
  954   2HG   ARG 118          HG3       ARG 118  17.709  19.381   2.620
  955   1HD   ARG 118          HD2       ARG 118  18.729  19.671   0.418
  956   2HD   ARG 118          HD3       ARG 118  17.977  21.258   0.265
  957    HE   ARG 118           HE       ARG 118  19.557  21.116   2.618
  958   1HH1  ARG 118          HH12      ARG 118  20.757  21.200  -0.970
  959   2HH1  ARG 118          HH11      ARG 118  20.201  22.822  -0.663
  960   1HH2  ARG 118          HH22      ARG 118  21.493  23.018   2.199
  961   2HH2  ARG 118          HH21      ARG 118  22.517  21.820   1.468
  962    H    ASP 119           HN       ASP 119  15.500  18.926  -1.474
  963    HA   ASP 119           HA       ASP 119  16.223  20.794  -3.524
  964   1HB   ASP 119          HB2       ASP 119  18.321  19.629  -4.168
  965   2HB   ASP 119          HB3       ASP 119  18.439  20.457  -2.624
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1  17.248 -10.679  15.610
    2   2H    MET   1          HT2       MET   1  18.831 -11.051  16.167
    3   3H    MET   1          HT3       MET   1  17.492 -11.151  17.238
    4    HA   MET   1           HA       MET   1  18.292 -12.896  15.045
    5   1HB   MET   1          HB2       MET   1  19.026 -13.315  17.358
    6   2HB   MET   1          HB3       MET   1  17.345 -13.379  17.863
    7   1HG   MET   1          HG3       MET   1  16.979 -15.307  16.429
    8   2HG   MET   1          HG2       MET   1  18.666 -15.237  15.929
    9   1HE   MET   1          HE1       MET   1  17.289 -17.896  17.125
   10   2HE   MET   1          HE2       MET   1  18.908 -17.702  16.454
   11   3HE   MET   1          HE3       MET   1  18.693 -18.448  18.039
   12    H    GLY   2           HN       GLY   2  15.507 -11.491  16.625
   13   1HA   GLY   2          HA2       GLY   2  13.589 -13.409  15.925
   14   2HA   GLY   2          HA1       GLY   2  13.269 -11.726  16.296
   15    H    ASP   3           HN       ASP   3  13.206 -10.184  14.590
   16    HA   ASP   3           HA       ASP   3  13.331 -11.222  11.862
   17   1HB   ASP   3          HB3       ASP   3  10.938 -11.472  12.615
   18   2HB   ASP   3          HB2       ASP   3  10.891  -9.725  12.845
   19    H    THR   4           HN       THR   4  14.636  -9.912  10.828
   20    HA   THR   4           HA       THR   4  14.595  -7.045  11.509
   21    HB   THR   4           HB       THR   4  16.922  -8.183  10.066
   22    HG1  THR   4           HG1      THR   4  16.547  -9.782  11.594
   23   1HG2  THR   4          HG21      THR   4  16.429  -6.084  12.097
   24   2HG2  THR   4          HG22      THR   4  17.412  -6.045  10.636
   25   3HG2  THR   4          HG23      THR   4  18.016  -6.865  12.078
   26    H    GLY   5           HN       GLY   5  12.688  -7.811   9.879
   27   1HA   GLY   5          HA2       GLY   5  13.493  -7.669   7.097
   28   2HA   GLY   5          HA1       GLY   5  11.864  -7.850   7.718
   29    H    LYS   6           HN       LYS   6  12.874  -5.308   9.446
   30    HA   LYS   6           HA       LYS   6  11.583  -3.481   7.615
   31   1HB   LYS   6          HB2       LYS   6  12.626  -3.166  10.417
   32   2HB   LYS   6          HB3       LYS   6  11.950  -1.827   9.499
   33   1HG   LYS   6          HG3       LYS   6   9.849  -3.083   9.250
   34   2HG   LYS   6          HG2       LYS   6  10.505  -4.360  10.274
   35   1HD   LYS   6          HD3       LYS   6  10.719  -2.721  12.115
   36   2HD   LYS   6          HD2       LYS   6  10.042  -1.483  11.047
   37   1HE   LYS   6          HE2       LYS   6   7.967  -2.765  10.846
   38   2HE   LYS   6          HE3       LYS   6   8.635  -4.021  11.887
   39   1HZ   LYS   6          HZ1       LYS   6   7.143  -2.421  13.024
   40   2HZ   LYS   6          HZ2       LYS   6   8.281  -1.213  12.725
   41   3HZ   LYS   6          HZ3       LYS   6   8.708  -2.522  13.705
   42    H    LEU   7           HN       LEU   7  13.940  -4.488   6.621
   43    HA   LEU   7           HA       LEU   7  15.653  -2.109   6.543
   44   1HB   LEU   7          HB2       LEU   7  16.340  -5.023   6.397
   45   2HB   LEU   7          HB3       LEU   7  17.335  -3.870   5.530
   46    HG   LEU   7           HG       LEU   7  18.350  -4.339   7.627
   47   1HD1  LEU   7          HD21      LEU   7  18.792  -2.127   7.079
   48   2HD1  LEU   7          HD22      LEU   7  17.109  -1.643   7.298
   49   3HD1  LEU   7          HD23      LEU   7  18.118  -1.970   8.708
   50   1HD2  LEU   7          HD11      LEU   7  15.723  -4.516   8.605
   51   2HD2  LEU   7          HD12      LEU   7  17.240  -4.811   9.459
   52   3HD2  LEU   7          HD13      LEU   7  16.519  -3.205   9.480
   53    H    GLY   8           HN       GLY   8  14.643  -1.047   4.984
   54   1HA   GLY   8          HA2       GLY   8  14.752  -0.665   2.545
   55   2HA   GLY   8          HA1       GLY   8  14.388  -2.386   2.356
   56    H    ARG   9           HN       ARG   9  12.610  -2.423   4.620
   57    HA   ARG   9           HA       ARG   9  10.203  -1.339   3.406
   58   1HB   ARG   9          HB2       ARG   9  10.518  -3.144   5.817
   59   2HB   ARG   9          HB3       ARG   9   9.005  -2.740   5.017
   60   1HG   ARG   9          HG3       ARG   9   9.701  -3.906   3.022
   61   2HG   ARG   9          HG2       ARG   9  11.307  -4.187   3.691
   62   1HD   ARG   9          HD3       ARG   9  10.162  -5.540   5.509
   63   2HD   ARG   9          HD2       ARG   9   8.686  -5.409   4.547
   64    HE   ARG   9           HE       ARG   9  10.991  -7.060   3.997
   65   1HH1  ARG   9          HH11      ARG   9   7.678  -6.820   2.852
   66   2HH1  ARG   9          HH12      ARG   9   8.192  -6.255   1.290
   67   1HH2  ARG   9          HH22      ARG   9  11.140  -7.676   1.353
   68   2HH2  ARG   9          HH21      ARG   9   9.894  -8.796   1.835
   69    H    ILE  10           HN       ILE  10  11.257   0.750   3.865
   70    HA   ILE  10           HA       ILE  10  11.683   1.790   6.426
   71    HB   ILE  10           HB       ILE  10  12.630   2.828   4.524
   72   1HG1  ILE  10          HG12      ILE  10  10.589   4.704   5.741
   73   2HG1  ILE  10          HG13      ILE  10  12.158   4.293   6.428
   74   1HG2  ILE  10          HG21      ILE  10  10.152   2.397   3.356
   75   2HG2  ILE  10          HG22      ILE  10  10.338   4.153   3.410
   76   3HG2  ILE  10          HG23      ILE  10  11.567   3.160   2.626
   77   1HD1  ILE  10          HD11      ILE  10  13.333   5.470   4.825
   78   2HD1  ILE  10          HD12      ILE  10  11.973   5.490   3.700
   79   3HD1  ILE  10          HD13      ILE  10  11.934   6.491   5.150
   80    H    ILE  11           HN       ILE  11   8.685   1.848   4.503
   81    HA   ILE  11           HA       ILE  11   7.422   3.433   6.553
   82    HB   ILE  11           HB       ILE  11   6.066   2.345   4.078
   83   1HG1  ILE  11          HG13      ILE  11   7.484   4.988   4.520
   84   2HG1  ILE  11          HG12      ILE  11   8.040   3.669   3.493
   85   1HG2  ILE  11          HG21      ILE  11   5.402   4.738   5.786
   86   2HG2  ILE  11          HG22      ILE  11   4.418   4.008   4.511
   87   3HG2  ILE  11          HG23      ILE  11   4.692   3.138   6.019
   88   1HD1  ILE  11          HD11      ILE  11   6.393   5.829   2.752
   89   2HD1  ILE  11          HD12      ILE  11   6.857   4.425   1.786
   90   3HD1  ILE  11          HD13      ILE  11   5.379   4.384   2.735
   91    H    ARG  12           HN       ARG  12   5.452   1.008   5.043
   92    HA   ARG  12           HA       ARG  12   5.612  -0.797   7.301
   93   1HB   ARG  12          HB2       ARG  12   3.953   1.296   7.664
   94   2HB   ARG  12          HB3       ARG  12   2.859   0.177   6.849
   95   1HG   ARG  12          HG3       ARG  12   4.203  -1.350   8.765
   96   2HG   ARG  12          HG2       ARG  12   3.797   0.173   9.572
   97   1HD   ARG  12          HD3       ARG  12   1.484  -0.053   8.768
   98   2HD   ARG  12          HD2       ARG  12   1.899  -1.617   8.065
   99    HE   ARG  12           HE       ARG  12   1.546  -2.520  10.110
  100   1HH1  ARG  12          HH11      ARG  12   1.345   0.911  10.906
  101   2HH1  ARG  12          HH12      ARG  12   2.834   0.772  11.802
  102   1HH2  ARG  12          HH22      ARG  12   1.925  -2.617  12.515
  103   2HH2  ARG  12          HH21      ARG  12   0.906  -1.315  13.060
  104    H    HIS  13           HN       HIS  13   3.732  -2.450   7.137
  105    HA   HIS  13           HA       HIS  13   2.826  -3.018   4.423
  106   1HB   HIS  13          HB2       HIS  13   3.620  -5.379   4.573
  107   2HB   HIS  13          HB3       HIS  13   4.925  -4.213   4.419
  108    HD1  HIS  13           HD1      HIS  13   5.854  -6.775   5.382
  109    HD2  HIS  13           HD2      HIS  13   4.286  -3.984   8.033
  110    HE1  HIS  13           HE1      HIS  13   6.733  -7.411   7.654
  111    HE2  HIS  13           HE2      HIS  13   5.894  -5.617   9.206
  112    H    ASP  14           HN       ASP  14   0.914  -4.321   4.436
  113    HA   ASP  14           HA       ASP  14   0.049  -5.473   6.925
  114   1HB   ASP  14          HB2       ASP  14  -0.523  -2.859   6.833
  115   2HB   ASP  14          HB3       ASP  14  -1.875  -3.459   5.873
  116    H    ALA  15           HN       ALA  15  -1.811  -6.803   6.670
  117    HA   ALA  15           HA       ALA  15  -2.228  -7.632   3.902
  118   1HB   ALA  15          HB1       ALA  15  -2.242  -8.961   6.497
  119   2HB   ALA  15          HB2       ALA  15  -3.596  -9.413   5.465
  120   3HB   ALA  15          HB3       ALA  15  -1.947  -9.619   4.887
  121    H    PHE  16           HN       PHE  16  -3.845  -6.639   2.896
  122    HA   PHE  16           HA       PHE  16  -6.324  -6.043   4.387
  123   1HB   PHE  16          HB2       PHE  16  -5.171  -4.827   1.862
  124   2HB   PHE  16          HB3       PHE  16  -6.749  -4.428   2.530
  125    HD1  PHE  16           HD1      PHE  16  -4.486  -2.537   1.976
  126    HD2  PHE  16           HD2      PHE  16  -5.658  -4.616   5.493
  127    HE1  PHE  16           HE1      PHE  16  -3.482  -0.770   3.354
  128    HE2  PHE  16           HE2      PHE  16  -4.579  -2.869   6.849
  129    HZ   PHE  16           HZ       PHE  16  -3.516  -0.958   5.785
  130    H    GLN  17           HN       GLN  17  -8.324  -6.385   3.258
  131    HA   GLN  17           HA       GLN  17  -8.299  -8.058   0.879
  132   1HB   GLN  17          HB3       GLN  17  -8.186  -9.696   2.724
  133   2HB   GLN  17          HB2       GLN  17  -9.591  -8.951   3.476
  134   1HG   GLN  17          HG2       GLN  17 -10.879  -9.530   1.421
  135   2HG   GLN  17          HG3       GLN  17  -9.473 -10.450   0.886
  136   1HE2  GLN  17          HE21      GLN  17  -9.955 -12.510   1.098
  137   2HE2  GLN  17          HE22      GLN  17 -10.493 -13.271   2.550
  138    H    VAL  18           HN       VAL  18  -8.997  -5.901   0.330
  139    HA   VAL  18           HA       VAL  18 -11.874  -5.523   0.788
  140    HB   VAL  18           HB       VAL  18 -10.910  -4.012   2.272
  141   1HG1  VAL  18          HG11      VAL  18  -9.015  -2.442   1.255
  142   2HG1  VAL  18          HG12      VAL  18  -8.692  -3.996   2.027
  143   3HG1  VAL  18          HG13      VAL  18  -8.757  -3.887   0.270
  144   1HG2  VAL  18          HG21      VAL  18 -11.791  -2.777  -0.257
  145   2HG2  VAL  18          HG22      VAL  18 -12.360  -2.540   1.401
  146   3HG2  VAL  18          HG23      VAL  18 -10.895  -1.741   0.857
  147    H    TRP  19           HN       TRP  19 -12.983  -4.500  -0.790
  148    HA   TRP  19           HA       TRP  19 -12.809  -5.158  -3.344
  149   1HB   TRP  19          HB2       TRP  19 -13.781  -2.426  -2.510
  150   2HB   TRP  19          HB3       TRP  19 -14.372  -3.427  -3.832
  151    HD1  TRP  19           HD1      TRP  19 -15.983  -5.501  -3.206
  152    HE1  TRP  19           HE1      TRP  19 -17.484  -5.944  -1.151
  153    HE3  TRP  19           HE3      TRP  19 -13.879  -2.159   0.039
  154    HZ2  TRP  19           HZ2      TRP  19 -17.701  -4.984   1.507
  155    HZ3  TRP  19           HZ3      TRP  19 -14.769  -1.996   2.315
  156    HH2  TRP  19           HH2      TRP  19 -16.654  -3.391   3.042
  157    H    GLU  20           HN       GLU  20 -11.384  -4.918  -4.899
  158    HA   GLU  20           HA       GLU  20  -9.433  -2.774  -4.806
  159   1HB   GLU  20          HB2       GLU  20  -8.823  -5.169  -5.311
  160   2HB   GLU  20          HB3       GLU  20  -9.744  -5.030  -6.798
  161   1HG   GLU  20          HG3       GLU  20  -8.232  -3.271  -7.552
  162   2HG   GLU  20          HG2       GLU  20  -7.291  -3.469  -6.073
  163    H    GLY  21           HN       GLY  21 -12.210  -2.259  -5.383
  164   1HA   GLY  21          HA1       GLY  21 -13.434  -0.821  -6.727
  165   2HA   GLY  21          HA2       GLY  21 -11.919  -0.378  -7.502
  166    H    ASP  22           HN       ASP  22 -12.136  -3.621  -7.721
  167    HA   ASP  22           HA       ASP  22 -12.885  -3.560 -10.512
  168   1HB   ASP  22          HB3       ASP  22 -10.934  -4.871  -9.532
  169   2HB   ASP  22          HB2       ASP  22 -12.120  -5.945  -8.807
  170    H    GLU  23           HN       GLU  23 -14.429  -3.722  -7.684
  171    HA   GLU  23           HA       GLU  23 -16.742  -3.751  -7.476
  172   1HB   GLU  23          HB3       GLU  23 -17.336  -4.478  -9.654
  173   2HB   GLU  23          HB2       GLU  23 -16.645  -6.068  -9.379
  174   1HG   GLU  23          HG2       GLU  23 -18.352  -6.408  -7.571
  175   2HG   GLU  23          HG3       GLU  23 -19.097  -4.897  -8.093
  176    HA   PRO  24           HA       PRO  24 -16.477  -7.740  -4.964
  177   1HB   PRO  24          HB3       PRO  24 -14.902  -9.811  -5.620
  178   2HB   PRO  24          HB2       PRO  24 -16.450  -9.545  -6.435
  179   1HG   PRO  24          HG3       PRO  24 -13.664  -8.933  -7.360
  180   2HG   PRO  24          HG2       PRO  24 -15.042  -9.538  -8.303
  181   1HD   PRO  24          HD2       PRO  24 -14.206  -6.898  -8.224
  182   2HD   PRO  24          HD3       PRO  24 -15.814  -7.449  -8.727
  183    HA   PRO  25           HA       PRO  25 -12.959  -6.656  -2.541
  184   1HB   PRO  25          HB3       PRO  25 -13.439  -8.629  -0.562
  185   2HB   PRO  25          HB2       PRO  25 -13.960  -6.949  -0.547
  186   1HG   PRO  25          HG2       PRO  25 -15.609  -9.217  -0.778
  187   2HG   PRO  25          HG3       PRO  25 -16.095  -7.537  -1.053
  188   1HD   PRO  25          HD3       PRO  25 -15.457  -9.685  -2.979
  189   2HD   PRO  25          HD2       PRO  25 -16.506  -8.264  -3.164
  190    H    LYS  26           HN       LYS  26 -10.904  -7.163  -2.769
  191    HA   LYS  26           HA       LYS  26 -10.201  -9.996  -3.122
  192   1HB   LYS  26          HB3       LYS  26  -9.033  -7.603  -4.555
  193   2HB   LYS  26          HB2       LYS  26  -8.430  -9.250  -4.703
  194   1HG   LYS  26          HG2       LYS  26 -10.484  -9.979  -5.680
  195   2HG   LYS  26          HG3       LYS  26 -11.248  -8.421  -5.380
  196   1HD   LYS  26          HD3       LYS  26 -10.642  -8.551  -7.695
  197   2HD   LYS  26          HD2       LYS  26  -9.590  -7.378  -6.906
  198   1HE   LYS  26          HE2       LYS  26  -8.218  -8.640  -8.330
  199   2HE   LYS  26          HE3       LYS  26  -7.880  -9.190  -6.693
  200   1HZ   LYS  26          HZ1       LYS  26  -9.405 -11.083  -7.133
  201   2HZ   LYS  26          HZ2       LYS  26  -8.016 -11.072  -8.099
  202   3HZ   LYS  26          HZ3       LYS  26  -9.500 -10.577  -8.750
  203    H    LEU  27           HN       LEU  27  -8.380 -10.767  -2.195
  204    HA   LEU  27           HA       LEU  27  -7.386  -9.308   0.069
  205   1HB   LEU  27          HB3       LEU  27  -7.820 -11.785  -0.023
  206   2HB   LEU  27          HB2       LEU  27  -6.433 -11.937  -1.086
  207    HG   LEU  27           HG       LEU  27  -6.013 -10.629   1.553
  208   1HD1  LEU  27          HD11      LEU  27  -6.648 -13.518   1.125
  209   2HD1  LEU  27          HD12      LEU  27  -5.594 -12.992   2.439
  210   3HD1  LEU  27          HD13      LEU  27  -7.260 -12.417   2.360
  211   1HD2  LEU  27          HD21      LEU  27  -4.105 -12.600   0.938
  212   2HD2  LEU  27          HD22      LEU  27  -4.470 -11.771  -0.575
  213   3HD2  LEU  27          HD23      LEU  27  -3.926 -10.850   0.831
  214    H    ARG  28           HN       ARG  28  -5.409  -8.293   0.258
  215    HA   ARG  28           HA       ARG  28  -3.325  -8.751  -1.685
  216   1HB   ARG  28          HB2       ARG  28  -3.183  -6.367  -2.337
  217   2HB   ARG  28          HB3       ARG  28  -4.591  -7.204  -2.968
  218   1HG   ARG  28          HG2       ARG  28  -5.538  -6.151  -0.647
  219   2HG   ARG  28          HG3       ARG  28  -4.382  -4.924  -1.163
  220   1HD   ARG  28          HD3       ARG  28  -6.770  -5.968  -2.640
  221   2HD   ARG  28          HD2       ARG  28  -6.449  -4.314  -2.126
  222    HE   ARG  28           HE       ARG  28  -4.993  -4.069  -3.941
  223   1HH1  ARG  28          HH11      ARG  28  -6.123  -7.624  -4.210
  224   2HH1  ARG  28          HH12      ARG  28  -6.850  -6.898  -5.612
  225   1HH2  ARG  28          HH21      ARG  28  -5.104  -5.004  -6.601
  226   2HH2  ARG  28          HH22      ARG  28  -3.805  -6.042  -6.104
  227    H    TYR  29           HN       TYR  29  -1.382  -8.427  -0.860
  228    HA   TYR  29           HA       TYR  29  -1.122  -7.364   1.847
  229   1HB   TYR  29          HB2       TYR  29   0.920  -8.691   0.028
  230   2HB   TYR  29          HB3       TYR  29   1.217  -8.207   1.694
  231    HD1  TYR  29           HD1      TYR  29   1.767 -10.963   0.946
  232    HD2  TYR  29           HD2      TYR  29  -1.914  -9.170   2.131
  233    HE1  TYR  29           HE1      TYR  29   0.956 -13.149   1.707
  234    HE2  TYR  29           HE2      TYR  29  -2.743 -11.381   2.857
  235    HH   TYR  29           HH       TYR  29  -1.283 -14.256   1.979
  236    H    VAL  30           HN       VAL  30  -1.009  -5.226   1.904
  237    HA   VAL  30           HA       VAL  30   0.337  -3.779  -0.237
  238    HB   VAL  30           HB       VAL  30  -1.199  -2.690   2.120
  239   1HG1  VAL  30          HG21      VAL  30  -1.423  -0.852   0.199
  240   2HG1  VAL  30          HG22      VAL  30  -0.111  -0.848   1.384
  241   3HG1  VAL  30          HG23      VAL  30   0.158  -1.518  -0.228
  242   1HG2  VAL  30          HG11      VAL  30  -3.079  -2.498   0.613
  243   2HG2  VAL  30          HG12      VAL  30  -2.114  -3.153  -0.716
  244   3HG2  VAL  30          HG13      VAL  30  -2.527  -4.176   0.652
  245    H    PHE  31           HN       PHE  31   2.327  -3.067  -0.116
  246    HA   PHE  31           HA       PHE  31   3.539  -2.573   2.533
  247   1HB   PHE  31          HB2       PHE  31   5.262  -3.337   0.200
  248   2HB   PHE  31          HB3       PHE  31   5.572  -3.544   1.916
  249    HD1  PHE  31           HD1      PHE  31   3.737  -5.246   3.020
  250    HD2  PHE  31           HD2      PHE  31   5.089  -5.234  -0.996
  251    HE1  PHE  31           HE1      PHE  31   3.156  -7.611   2.833
  252    HE2  PHE  31           HE2      PHE  31   4.526  -7.624  -1.217
  253    HZ   PHE  31           HZ       PHE  31   3.543  -8.826   0.710
  254    H    LEU  32           HN       LEU  32   4.354  -0.483   2.710
  255    HA   LEU  32           HA       LEU  32   4.580   0.993   0.167
  256   1HB   LEU  32          HB2       LEU  32   4.559   2.555   2.658
  257   2HB   LEU  32          HB3       LEU  32   3.870   2.896   1.086
  258    HG   LEU  32           HG       LEU  32   2.603   1.064   3.117
  259   1HD1  LEU  32          HD11      LEU  32   2.686   3.332   3.911
  260   2HD1  LEU  32          HD12      LEU  32   2.010   3.940   2.401
  261   3HD1  LEU  32          HD13      LEU  32   1.037   2.913   3.466
  262   1HD2  LEU  32          HD21      LEU  32   1.687   0.382   1.059
  263   2HD2  LEU  32          HD22      LEU  32   0.593   1.681   1.551
  264   3HD2  LEU  32          HD23      LEU  32   1.860   2.000   0.378
  265    H    PHE  33           HN       PHE  33   6.500   1.740  -0.412
  266    HA   PHE  33           HA       PHE  33   8.648   1.714   1.595
  267   1HB   PHE  33          HB3       PHE  33   8.869   0.985  -1.357
  268   2HB   PHE  33          HB2       PHE  33  10.207   1.051  -0.213
  269    HD1  PHE  33           HD1      PHE  33   8.976  -1.276  -1.966
  270    HD2  PHE  33           HD2      PHE  33   8.828  -0.231   2.132
  271    HE1  PHE  33           HE1      PHE  33   8.593  -3.629  -1.383
  272    HE2  PHE  33           HE2      PHE  33   8.423  -2.569   2.733
  273    HZ   PHE  33           HZ       PHE  33   8.329  -4.287   0.968
  274    H    ARG  34           HN       ARG  34  10.483   3.230   0.866
  275    HA   ARG  34           HA       ARG  34   9.253   5.729   0.056
  276   1HB   ARG  34          HB3       ARG  34  11.085   5.453   1.913
  277   2HB   ARG  34          HB2       ARG  34  12.218   5.414   0.568
  278   1HG   ARG  34          HG2       ARG  34  10.226   7.636   0.964
  279   2HG   ARG  34          HG3       ARG  34  11.826   7.653   1.705
  280   1HD   ARG  34          HD3       ARG  34  12.916   7.826  -0.337
  281   2HD   ARG  34          HD2       ARG  34  11.520   7.236  -1.236
  282    HE   ARG  34           HE       ARG  34  10.654   9.573  -0.149
  283   1HH1  ARG  34          HH11      ARG  34  13.874   9.402  -1.622
  284   2HH1  ARG  34          HH12      ARG  34  13.092   9.462  -3.175
  285   1HH2  ARG  34          HH22      ARG  34  10.534  11.315  -2.195
  286   2HH2  ARG  34          HH21      ARG  34  11.915  12.041  -1.416
  287    H    ASN  35           HN       ASN  35   8.706   4.563  -1.923
  288    HA   ASN  35           HA       ASN  35  10.259   5.482  -4.103
  289   1HB   ASN  35          HB3       ASN  35  11.597   3.462  -3.353
  290   2HB   ASN  35          HB2       ASN  35  10.187   2.482  -3.750
  291   1HD2  ASN  35          HD21      ASN  35  13.044   3.550  -4.872
  292   2HD2  ASN  35          HD22      ASN  35  12.792   3.221  -6.557
  293    H    LYS  36           HN       LYS  36   8.067   2.813  -3.148
  294    HA   LYS  36           HA       LYS  36   5.929   3.905  -4.704
  295   1HB   LYS  36          HB2       LYS  36   5.682   1.996  -6.174
  296   2HB   LYS  36          HB3       LYS  36   7.282   2.688  -6.410
  297   1HG   LYS  36          HG2       LYS  36   8.248   0.953  -4.977
  298   2HG   LYS  36          HG3       LYS  36   6.640   0.268  -4.752
  299   1HD   LYS  36          HD3       LYS  36   7.702  -1.041  -6.425
  300   2HD   LYS  36          HD2       LYS  36   6.519  -0.022  -7.247
  301   1HE   LYS  36          HE2       LYS  36   8.259   1.507  -7.933
  302   2HE   LYS  36          HE3       LYS  36   9.457   0.573  -7.032
  303   1HZ   LYS  36          HZ1       LYS  36   9.008  -1.317  -8.440
  304   2HZ   LYS  36          HZ2       LYS  36   9.487   0.000  -9.392
  305   3HZ   LYS  36          HZ3       LYS  36   7.846  -0.448  -9.320
  306    H    ILE  37           HN       ILE  37   4.047   2.351  -4.595
  307    HA   ILE  37           HA       ILE  37   3.985   1.059  -1.943
  308    HB   ILE  37           HB       ILE  37   1.658   1.897  -3.722
  309   1HG1  ILE  37          HG12      ILE  37   2.692   3.039  -1.130
  310   2HG1  ILE  37          HG13      ILE  37   2.894   3.760  -2.721
  311   1HG2  ILE  37          HG21      ILE  37   1.787   0.379  -1.145
  312   2HG2  ILE  37          HG22      ILE  37   0.448   1.498  -1.411
  313   3HG2  ILE  37          HG23      ILE  37   0.720   0.168  -2.535
  314   1HD1  ILE  37          HD11      ILE  37   1.095   4.760  -1.301
  315   2HD1  ILE  37          HD12      ILE  37   0.599   4.241  -2.913
  316   3HD1  ILE  37          HD13      ILE  37   0.195   3.253  -1.507
  317    H    MET  38           HN       MET  38   4.935  -0.865  -2.537
  318    HA   MET  38           HA       MET  38   3.941  -2.402  -4.753
  319   1HB   MET  38          HB2       MET  38   6.288  -2.603  -4.209
  320   2HB   MET  38          HB3       MET  38   5.910  -3.100  -2.567
  321   1HG   MET  38          HG2       MET  38   4.917  -5.160  -3.401
  322   2HG   MET  38          HG3       MET  38   5.262  -4.664  -5.060
  323   1HE   MET  38          HE1       MET  38   7.596  -7.049  -5.504
  324   2HE   MET  38          HE2       MET  38   7.145  -7.693  -3.926
  325   3HE   MET  38          HE3       MET  38   5.918  -6.977  -4.969
  326    H    PHE  39           HN       PHE  39   2.223  -3.728  -4.673
  327    HA   PHE  39           HA       PHE  39   1.611  -4.969  -2.117
  328   1HB   PHE  39          HB2       PHE  39  -0.792  -4.462  -2.273
  329   2HB   PHE  39          HB3       PHE  39   0.172  -2.997  -2.182
  330    HD1  PHE  39           HD1      PHE  39   0.928  -2.298  -4.812
  331    HD2  PHE  39           HD2      PHE  39  -2.659  -4.172  -3.528
  332    HE1  PHE  39           HE1      PHE  39  -0.258  -1.373  -6.751
  333    HE2  PHE  39           HE2      PHE  39  -3.849  -3.241  -5.472
  334    HZ   PHE  39           HZ       PHE  39  -2.639  -1.837  -7.078
  335    H    THR  40           HN       THR  40   1.690  -7.025  -2.399
  336    HA   THR  40           HA       THR  40   1.041  -8.154  -4.989
  337    HB   THR  40           HB       THR  40   2.078 -10.229  -4.044
  338    HG1  THR  40           HG1      THR  40   1.580  -9.377  -1.800
  339   1HG2  THR  40          HG21      THR  40   4.365  -9.478  -3.979
  340   2HG2  THR  40          HG22      THR  40   3.853  -7.812  -3.729
  341   3HG2  THR  40          HG23      THR  40   3.508  -8.618  -5.261
  342    H    GLU  41           HN       GLU  41  -1.013  -8.692  -5.254
  343    HA   GLU  41           HA       GLU  41  -2.659  -9.341  -2.944
  344   1HB   GLU  41          HB2       GLU  41  -4.528  -9.274  -4.570
  345   2HB   GLU  41          HB3       GLU  41  -3.591  -7.789  -4.522
  346   1HG   GLU  41          HG3       GLU  41  -2.941  -9.861  -6.561
  347   2HG   GLU  41          HG2       GLU  41  -4.362  -8.846  -6.785
  348    H    GLN  42           HN       GLN  42  -4.330 -10.991  -3.200
  349    HA   GLN  42           HA       GLN  42  -3.219 -13.421  -4.413
  350   1HB   GLN  42          HB2       GLN  42  -3.123 -13.584  -1.955
  351   2HB   GLN  42          HB3       GLN  42  -4.835 -13.197  -1.856
  352   1HG   GLN  42          HG2       GLN  42  -5.471 -15.259  -2.741
  353   2HG   GLN  42          HG3       GLN  42  -3.864 -15.577  -3.393
  354   1HE2  GLN  42          HE21      GLN  42  -2.759 -16.995  -2.369
  355   2HE2  GLN  42          HE22      GLN  42  -2.675 -17.192  -0.658
  356    H    ASP  43           HN       ASP  43  -4.562 -14.536  -5.694
  357    HA   ASP  43           HA       ASP  43  -7.064 -13.195  -6.280
  358   1HB   ASP  43          HB3       ASP  43  -5.069 -14.465  -7.856
  359   2HB   ASP  43          HB2       ASP  43  -6.573 -15.354  -8.086
  360    H    ALA  44           HN       ALA  44  -8.351 -13.793  -4.691
  361    HA   ALA  44           HA       ALA  44  -9.737 -16.262  -4.934
  362   1HB   ALA  44          HB1       ALA  44  -8.853 -16.092  -2.156
  363   2HB   ALA  44          HB2       ALA  44  -8.950 -17.485  -3.236
  364   3HB   ALA  44          HB3       ALA  44  -7.539 -16.427  -3.284
  365    H    SER  45           HN       SER  45 -11.220 -16.308  -2.677
  366    HA   SER  45           HA       SER  45 -12.887 -15.294  -1.526
  367   1HB   SER  45          HB2       SER  45 -11.189 -12.833  -1.740
  368   2HB   SER  45          HB3       SER  45 -12.489 -13.074  -0.579
  369    HG   SER  45           HG       SER  45 -11.165 -15.029   0.020
  370    H    THR  46           HN       THR  46 -14.421 -15.548  -3.097
  371    HA   THR  46           HA       THR  46 -15.994 -14.982  -4.604
  372    HB   THR  46           HB       THR  46 -15.932 -12.125  -4.167
  373    HG1  THR  46           HG1      THR  46 -15.865 -13.909  -1.972
  374   1HG2  THR  46          HG21      THR  46 -17.779 -14.166  -4.589
  375   2HG2  THR  46          HG22      THR  46 -18.083 -12.434  -4.423
  376   3HG2  THR  46          HG23      THR  46 -18.127 -13.482  -3.003
  377    H    SER  47           HN       SER  47 -13.080 -14.708  -5.301
  378    HA   SER  47           HA       SER  47 -13.455 -13.379  -7.892
  379   1HB   SER  47          HB2       SER  47 -10.965 -13.028  -6.187
  380   2HB   SER  47          HB3       SER  47 -11.290 -12.309  -7.765
  381    HG   SER  47           HG       SER  47 -12.614 -11.777  -5.317
  382    HA   PRO  48           HA       PRO  48 -11.715 -17.081  -9.563
  383   1HB   PRO  48          HB3       PRO  48 -10.232 -15.323 -11.433
  384   2HB   PRO  48          HB2       PRO  48 -11.364 -16.633 -11.783
  385   1HG   PRO  48          HG3       PRO  48 -12.087 -14.086 -12.127
  386   2HG   PRO  48          HG2       PRO  48 -13.237 -15.265 -11.468
  387   1HD   PRO  48          HD3       PRO  48 -11.642 -13.183 -10.034
  388   2HD   PRO  48          HD2       PRO  48 -13.329 -13.687  -9.793
  389    HA   PRO  49           HA       PRO  49  -7.648 -17.117  -7.724
  390   1HB   PRO  49          HB2       PRO  49  -6.887 -19.595  -8.276
  391   2HB   PRO  49          HB3       PRO  49  -8.261 -19.298  -7.203
  392   1HG   PRO  49          HG3       PRO  49  -8.244 -20.015 -10.107
  393   2HG   PRO  49          HG2       PRO  49  -9.235 -20.702  -8.803
  394   1HD   PRO  49          HD2       PRO  49 -10.139 -18.763 -10.531
  395   2HD   PRO  49          HD3       PRO  49 -10.737 -18.938  -8.869
  396    H    SER  50           HN       SER  50  -5.424 -18.111  -8.295
  397    HA   SER  50           HA       SER  50  -3.534 -18.126  -9.514
  398   1HB   SER  50          HB2       SER  50  -5.343 -18.052 -11.928
  399   2HB   SER  50          HB3       SER  50  -3.639 -18.513 -11.909
  400    HG   SER  50           HG       SER  50  -5.381 -19.846 -10.185
  401    H    TYR  51           HN       TYR  51  -2.695 -16.193  -8.884
  402    HA   TYR  51           HA       TYR  51  -3.265 -13.859 -10.587
  403   1HB   TYR  51          HB2       TYR  51  -3.726 -13.320  -8.300
  404   2HB   TYR  51          HB3       TYR  51  -2.247 -14.108  -7.756
  405    HD1  TYR  51           HD1      TYR  51  -3.356 -11.271  -9.903
  406    HD2  TYR  51           HD2      TYR  51  -0.402 -12.873  -7.316
  407    HE1  TYR  51           HE1      TYR  51  -2.137  -9.132 -10.009
  408    HE2  TYR  51           HE2      TYR  51   0.842 -10.751  -7.396
  409    HH   TYR  51           HH       TYR  51  -0.294  -7.979  -8.154
  410    H    THR  52           HN       THR  52  -1.602 -12.985 -11.776
  411    HA   THR  52           HA       THR  52   1.117 -14.090 -11.339
  412    HB   THR  52           HB       THR  52   1.351 -13.568 -13.883
  413    HG1  THR  52           HG1      THR  52  -1.432 -13.999 -13.682
  414   1HG2  THR  52          HG21      THR  52   1.405 -15.757 -14.061
  415   2HG2  THR  52          HG22      THR  52  -0.357 -15.804 -14.037
  416   3HG2  THR  52          HG23      THR  52   0.551 -15.926 -12.529
  417    H    HIS  53           HN       HIS  53   2.831 -12.571 -12.336
  418    HA   HIS  53           HA       HIS  53   3.863 -10.552 -12.487
  419   1HB   HIS  53          HB3       HIS  53   1.040  -9.510 -12.612
  420   2HB   HIS  53          HB2       HIS  53   2.439  -8.446 -12.675
  421    HD1  HIS  53           HD1      HIS  53   4.240  -9.665 -14.689
  422    HD2  HIS  53           HD2      HIS  53   0.109  -9.760 -15.126
  423    HE1  HIS  53           HE1      HIS  53   3.832  -9.915 -17.158
  424    HE2  HIS  53           HE2      HIS  53   1.348  -9.575 -17.401
  425    H    TYR  54           HN       TYR  54   3.530  -8.156 -11.293
  426    HA   TYR  54           HA       TYR  54   3.000  -8.665  -8.460
  427   1HB   TYR  54          HB2       TYR  54   5.614  -7.646  -9.573
  428   2HB   TYR  54          HB3       TYR  54   5.161  -7.455  -7.886
  429    HD1  TYR  54           HD1      TYR  54   4.293  -9.844  -6.860
  430    HD2  TYR  54           HD2      TYR  54   7.120  -9.288  -9.992
  431    HE1  TYR  54           HE1      TYR  54   5.287 -12.016  -6.329
  432    HE2  TYR  54           HE2      TYR  54   8.122 -11.495  -9.477
  433    HH   TYR  54           HH       TYR  54   6.828 -13.830  -8.095
  434    H    SER  55           HN       SER  55   1.445  -7.184  -8.131
  435    HA   SER  55           HA       SER  55   1.320  -4.717  -9.521
  436   1HB   SER  55          HB3       SER  55  -0.198  -5.672  -7.078
  437   2HB   SER  55          HB2       SER  55  -0.548  -4.180  -7.949
  438    HG   SER  55           HG       SER  55  -1.688  -6.340  -8.475
  439    H    SER  56           HN       SER  56   1.828  -2.728  -8.985
  440    HA   SER  56           HA       SER  56   2.810  -2.014  -6.341
  441   1HB   SER  56          HB3       SER  56   4.573  -1.875  -8.811
  442   2HB   SER  56          HB2       SER  56   4.964  -1.131  -7.260
  443    HG   SER  56           HG       SER  56   4.277  -3.810  -7.212
  444    H    ILE  57           HN       ILE  57   2.150   0.011  -5.918
  445    HA   ILE  57           HA       ILE  57   1.012   1.567  -8.107
  446    HB   ILE  57           HB       ILE  57   0.558   1.427  -5.164
  447   1HG1  ILE  57          HG13      ILE  57  -0.829   0.240  -6.881
  448   2HG1  ILE  57          HG12      ILE  57  -1.747   1.319  -5.831
  449   1HG2  ILE  57          HG21      ILE  57   1.084   3.866  -5.771
  450   2HG2  ILE  57          HG22      ILE  57  -0.429   3.835  -6.664
  451   3HG2  ILE  57          HG23      ILE  57  -0.423   3.540  -4.925
  452   1HD1  ILE  57          HD11      ILE  57  -2.648   2.038  -7.729
  453   2HD1  ILE  57          HD12      ILE  57  -1.161   2.973  -7.907
  454   3HD1  ILE  57          HD13      ILE  57  -1.330   1.414  -8.721
  455    H    ARG  58           HN       ARG  58   2.021   3.199  -8.889
  456    HA   ARG  58           HA       ARG  58   4.560   4.125  -8.088
  457   1HB   ARG  58          HB3       ARG  58   3.377   4.520 -10.345
  458   2HB   ARG  58          HB2       ARG  58   2.504   5.781  -9.500
  459   1HG   ARG  58          HG2       ARG  58   4.584   6.934  -9.016
  460   2HG   ARG  58          HG3       ARG  58   5.470   5.686  -9.899
  461   1HD   ARG  58          HD3       ARG  58   4.393   6.258 -11.955
  462   2HD   ARG  58          HD2       ARG  58   3.268   7.332 -11.128
  463    HE   ARG  58           HE       ARG  58   4.774   8.974 -11.388
  464   1HH1  ARG  58          HH11      ARG  58   6.956   6.365 -12.653
  465   2HH1  ARG  58          HH12      ARG  58   7.676   6.351 -11.066
  466   1HH2  ARG  58          HH21      ARG  58   6.846   9.979 -11.435
  467   2HH2  ARG  58          HH22      ARG  58   8.215   9.003 -11.893
  468    H    LEU  59           HN       LEU  59   5.128   5.471  -6.576
  469    HA   LEU  59           HA       LEU  59   3.049   6.797  -4.984
  470   1HB   LEU  59          HB2       LEU  59   4.570   5.084  -3.941
  471   2HB   LEU  59          HB3       LEU  59   5.907   6.180  -4.228
  472    HG   LEU  59           HG       LEU  59   4.869   7.832  -2.706
  473   1HD1  LEU  59          HD11      LEU  59   3.034   6.684  -1.191
  474   2HD1  LEU  59          HD12      LEU  59   2.607   7.585  -2.646
  475   3HD1  LEU  59          HD13      LEU  59   2.696   5.818  -2.688
  476   1HD2  LEU  59          HD21      LEU  59   6.366   6.687  -1.497
  477   2HD2  LEU  59          HD22      LEU  59   4.918   6.130  -0.654
  478   3HD2  LEU  59          HD23      LEU  59   5.664   5.118  -1.897
  479    H    ASP  60           HN       ASP  60   3.691   8.113  -7.350
  480    HA   ASP  60           HA       ASP  60   5.472  10.227  -6.410
  481   1HB   ASP  60          HB3       ASP  60   6.413   9.118  -8.337
  482   2HB   ASP  60          HB2       ASP  60   4.893   9.258  -9.216
  483    H    LYS  61           HN       LYS  61   2.557   9.751  -8.590
  484    HA   LYS  61           HA       LYS  61   1.530  12.210  -7.415
  485   1HB   LYS  61          HB3       LYS  61   2.220  11.922 -10.305
  486   2HB   LYS  61          HB2       LYS  61   0.952  13.023  -9.779
  487   1HG   LYS  61          HG3       LYS  61   3.794  13.070  -8.811
  488   2HG   LYS  61          HG2       LYS  61   3.111  14.141 -10.041
  489   1HD   LYS  61          HD2       LYS  61   1.538  15.039  -8.421
  490   2HD   LYS  61          HD3       LYS  61   2.122  13.921  -7.186
  491   1HE   LYS  61          HE2       LYS  61   4.392  14.985  -7.460
  492   2HE   LYS  61          HE3       LYS  61   3.596  16.216  -8.439
  493   1HZ   LYS  61          HZ1       LYS  61   2.513  17.081  -6.656
  494   2HZ   LYS  61          HZ2       LYS  61   3.918  16.548  -5.872
  495   3HZ   LYS  61          HZ3       LYS  61   2.507  15.618  -5.793
  496    H    TYR  62           HN       TYR  62   0.197  10.038  -6.762
  497    HA   TYR  62           HA       TYR  62  -1.966   9.696  -8.748
  498   1HB   TYR  62          HB3       TYR  62  -2.785   7.895  -7.253
  499   2HB   TYR  62          HB2       TYR  62  -1.135   7.627  -7.799
  500    HD1  TYR  62           HD1      TYR  62  -3.175   8.657  -4.888
  501    HD2  TYR  62           HD2      TYR  62   0.623   7.366  -6.272
  502    HE1  TYR  62           HE1      TYR  62  -2.433   8.350  -2.562
  503    HE2  TYR  62           HE2      TYR  62   1.385   7.029  -3.951
  504    HH   TYR  62           HH       TYR  62   0.051   8.338  -1.362
  505    H    ASN  63           HN       ASN  63  -4.171   9.959  -8.027
  506    HA   ASN  63           HA       ASN  63  -4.492  12.121  -6.081
  507   1HB   ASN  63          HB3       ASN  63  -6.432  10.975  -8.096
  508   2HB   ASN  63          HB2       ASN  63  -6.815  12.258  -6.957
  509   1HD2  ASN  63          HD21      ASN  63  -6.415  11.947 -10.024
  510   2HD2  ASN  63          HD22      ASN  63  -5.782  13.508 -10.365
  511    H    ILE  64           HN       ILE  64  -4.487  11.250  -4.101
  512    HA   ILE  64           HA       ILE  64  -6.038   8.844  -3.647
  513    HB   ILE  64           HB       ILE  64  -3.789   8.795  -2.769
  514   1HG1  ILE  64          HG12      ILE  64  -5.612   9.171  -0.403
  515   2HG1  ILE  64          HG13      ILE  64  -5.751   7.791  -1.492
  516   1HG2  ILE  64          HG21      ILE  64  -3.181  10.349  -0.869
  517   2HG2  ILE  64          HG22      ILE  64  -3.205  11.054  -2.487
  518   3HG2  ILE  64          HG23      ILE  64  -4.550  11.336  -1.377
  519   1HD1  ILE  64          HD11      ILE  64  -3.313   7.313  -0.965
  520   2HD1  ILE  64          HD12      ILE  64  -3.466   8.538   0.295
  521   3HD1  ILE  64          HD13      ILE  64  -4.468   7.091   0.350
  522    H    ARG  65           HN       ARG  65  -7.715   8.704  -2.224
  523    HA   ARG  65           HA       ARG  65  -8.717  11.137  -0.895
  524   1HB   ARG  65          HB3       ARG  65 -10.527   9.181  -2.308
  525   2HB   ARG  65          HB2       ARG  65 -10.940  10.747  -1.627
  526   1HG   ARG  65          HG2       ARG  65  -9.203  10.289  -4.058
  527   2HG   ARG  65          HG3       ARG  65 -10.891  10.825  -4.064
  528   1HD   ARG  65          HD3       ARG  65 -10.336  12.895  -3.136
  529   2HD   ARG  65          HD2       ARG  65  -8.782  12.323  -2.533
  530    HE   ARG  65           HE       ARG  65  -8.834  12.194  -5.358
  531   1HH1  ARG  65          HH11      ARG  65  -7.687  14.339  -2.735
  532   2HH1  ARG  65          HH12      ARG  65  -8.639  15.581  -3.493
  533   1HH2  ARG  65          HH21      ARG  65  -8.240  14.513  -6.594
  534   2HH2  ARG  65          HH22      ARG  65  -6.681  14.452  -5.819
  535    H    GLN  66           HN       GLN  66 -10.084  10.677   0.939
  536    HA   GLN  66           HA       GLN  66 -10.126   7.904   1.899
  537   1HB   GLN  66          HB3       GLN  66  -9.232   8.574   4.114
  538   2HB   GLN  66          HB2       GLN  66  -8.055   8.793   2.827
  539   1HG   GLN  66          HG2       GLN  66  -9.743  11.098   3.637
  540   2HG   GLN  66          HG3       GLN  66  -8.379  10.631   4.648
  541   1HE2  GLN  66          HE21      GLN  66  -7.143   9.690   1.946
  542   2HE2  GLN  66          HE22      GLN  66  -6.383  11.139   1.400
  543    H    HIS  67           HN       HIS  67 -12.018   7.419   2.925
  544    HA   HIS  67           HA       HIS  67 -13.723   9.701   3.647
  545   1HB   HIS  67          HB3       HIS  67 -14.501   6.918   2.749
  546   2HB   HIS  67          HB2       HIS  67 -15.635   8.146   3.310
  547    HD1  HIS  67           HD1      HIS  67 -15.695  10.399   1.802
  548    HD2  HIS  67           HD2      HIS  67 -13.958   7.053   0.058
  549    HE1  HIS  67           HE1      HIS  67 -15.712  10.820  -0.672
  550    HE2  HIS  67           HE2      HIS  67 -14.476   8.899  -1.661
  551    H    THR  68           HN       THR  68 -13.275   9.935   5.793
  552    HA   THR  68           HA       THR  68 -13.151   7.599   7.519
  553    HB   THR  68           HB       THR  68 -12.985  10.460   8.391
  554    HG1  THR  68           HG1      THR  68 -10.866  10.519   7.782
  555   1HG2  THR  68          HG21      THR  68 -12.109   7.841   9.460
  556   2HG2  THR  68          HG22      THR  68 -12.733   9.266  10.289
  557   3HG2  THR  68          HG23      THR  68 -11.059   9.238   9.736
  558    H    THR  69           HN       THR  69 -15.596   7.564   6.571
  559    HA   THR  69           HA       THR  69 -17.385   9.081   8.226
  560    HB   THR  69           HB       THR  69 -19.139   7.856   6.850
  561    HG1  THR  69           HG1      THR  69 -18.404   6.184   5.837
  562   1HG2  THR  69          HG21      THR  69 -17.586  10.019   6.137
  563   2HG2  THR  69          HG22      THR  69 -19.093   9.511   5.375
  564   3HG2  THR  69          HG23      THR  69 -17.543   8.979   4.711
  565    H    ASP  70           HN       ASP  70 -16.099   5.865   7.983
  566    HA   ASP  70           HA       ASP  70 -17.129   5.134  10.566
  567   1HB   ASP  70          HB3       ASP  70 -19.071   4.590   9.152
  568   2HB   ASP  70          HB2       ASP  70 -18.056   3.584   8.132
  569    H    GLU  71           HN       GLU  71 -16.295   3.184   7.739
  570    HA   GLU  71           HA       GLU  71 -14.053   2.075   9.249
  571   1HB   GLU  71          HB3       GLU  71 -15.367   1.190   6.661
  572   2HB   GLU  71          HB2       GLU  71 -13.998   0.377   7.409
  573   1HG   GLU  71          HG3       GLU  71 -15.310  -0.285   9.281
  574   2HG   GLU  71          HG2       GLU  71 -16.624   0.795   8.819
  575    H    ASP  72           HN       ASP  72 -12.115   2.910   8.930
  576    HA   ASP  72           HA       ASP  72 -11.474   5.011   7.286
  577   1HB   ASP  72          HB3       ASP  72  -9.514   2.894   8.191
  578   2HB   ASP  72          HB2       ASP  72  -9.162   4.576   7.826
  579    H    THR  73           HN       THR  73 -12.091   4.809   5.182
  580    HA   THR  73           HA       THR  73 -10.861   2.661   3.615
  581    HB   THR  73           HB       THR  73 -13.128   4.497   2.863
  582    HG1  THR  73           HG1      THR  73 -13.489   3.002   4.667
  583   1HG2  THR  73          HG21      THR  73 -11.690   2.466   1.370
  584   2HG2  THR  73          HG22      THR  73 -12.862   3.661   0.819
  585   3HG2  THR  73          HG23      THR  73 -13.420   2.128   1.484
  586    H    ILE  74           HN       ILE  74  -9.235   3.068   2.354
  587    HA   ILE  74           HA       ILE  74  -8.671   5.821   1.551
  588    HB   ILE  74           HB       ILE  74  -6.819   3.448   1.887
  589   1HG1  ILE  74          HG13      ILE  74  -7.436   4.705   3.925
  590   2HG1  ILE  74          HG12      ILE  74  -5.726   4.859   3.538
  591   1HG2  ILE  74          HG21      ILE  74  -5.428   5.867   1.256
  592   2HG2  ILE  74          HG22      ILE  74  -5.355   4.285   0.476
  593   3HG2  ILE  74          HG23      ILE  74  -6.568   5.456  -0.025
  594   1HD1  ILE  74          HD11      ILE  74  -7.872   6.903   3.192
  595   2HD1  ILE  74          HD12      ILE  74  -6.415   6.973   4.192
  596   3HD1  ILE  74          HD13      ILE  74  -6.279   7.025   2.442
  597    H    VAL  75           HN       VAL  75  -8.781   6.333  -0.585
  598    HA   VAL  75           HA       VAL  75  -8.735   4.143  -2.516
  599    HB   VAL  75           HB       VAL  75 -10.488   5.022  -3.769
  600   1HG1  VAL  75          HG11      VAL  75 -11.420   5.511  -0.963
  601   2HG1  VAL  75          HG12      VAL  75 -12.398   5.010  -2.343
  602   3HG1  VAL  75          HG13      VAL  75 -11.205   3.904  -1.664
  603   1HG2  VAL  75          HG21      VAL  75 -10.034   7.318  -3.898
  604   2HG2  VAL  75          HG22      VAL  75 -11.634   7.200  -3.153
  605   3HG2  VAL  75          HG23      VAL  75 -10.208   7.516  -2.154
  606    H    LEU  76           HN       LEU  76  -7.908   4.737  -4.585
  607    HA   LEU  76           HA       LEU  76  -6.701   7.358  -4.875
  608   1HB   LEU  76          HB2       LEU  76  -4.528   6.315  -5.549
  609   2HB   LEU  76          HB3       LEU  76  -4.872   6.245  -3.833
  610    HG   LEU  76           HG       LEU  76  -5.660   3.927  -5.504
  611   1HD1  LEU  76          HD21      LEU  76  -2.956   3.599  -4.544
  612   2HD1  LEU  76          HD22      LEU  76  -3.624   3.325  -6.157
  613   3HD1  LEU  76          HD23      LEU  76  -3.082   4.935  -5.691
  614   1HD2  LEU  76          HD11      LEU  76  -4.345   3.080  -3.219
  615   2HD2  LEU  76          HD12      LEU  76  -5.199   4.530  -2.700
  616   3HD2  LEU  76          HD13      LEU  76  -6.090   3.194  -3.433
  617    H    GLN  77           HN       GLN  77  -6.856   8.043  -6.927
  618    HA   GLN  77           HA       GLN  77  -7.839   5.984  -8.754
  619   1HB   GLN  77          HB3       GLN  77  -9.321   7.887  -8.217
  620   2HB   GLN  77          HB2       GLN  77  -8.211   8.952  -9.063
  621   1HG   GLN  77          HG3       GLN  77  -8.565   7.421 -11.097
  622   2HG   GLN  77          HG2       GLN  77  -9.927   6.762 -10.187
  623   1HE2  GLN  77          HE21      GLN  77 -11.729   7.541 -10.941
  624   2HE2  GLN  77          HE22      GLN  77 -12.018   9.183 -11.407
  625    HA   PRO  78           HA       PRO  78  -4.604   7.349 -11.636
  626   1HB   PRO  78          HB3       PRO  78  -4.816   9.604 -12.940
  627   2HB   PRO  78          HB2       PRO  78  -6.181   8.476 -12.901
  628   1HG   PRO  78          HG3       PRO  78  -5.848  11.071 -11.550
  629   2HG   PRO  78          HG2       PRO  78  -7.327  10.216 -12.013
  630   1HD   PRO  78          HD3       PRO  78  -5.943  10.219  -9.455
  631   2HD   PRO  78          HD2       PRO  78  -7.536   9.549  -9.872
  632    H    GLN  79           HN       GLN  79  -2.932   8.497 -12.548
  633    HA   GLN  79           HA       GLN  79  -1.336  10.492 -11.236
  634   1HB   GLN  79          HB3       GLN  79   0.203   8.091 -12.104
  635   2HB   GLN  79          HB2       GLN  79   0.536   9.202 -10.784
  636   1HG   GLN  79          HG2       GLN  79  -1.518   8.008  -9.710
  637   2HG   GLN  79          HG3       GLN  79  -1.088   6.741 -10.846
  638   1HE2  GLN  79          HE21      GLN  79  -0.320   5.241  -9.522
  639   2HE2  GLN  79          HE22      GLN  79   0.867   5.512  -8.302
  640    H    GLU  80           HN       GLU  80  -1.747   7.957 -13.509
  641    HA   GLU  80           HA       GLU  80  -1.265   9.755 -15.785
  642   1HB   GLU  80          HB2       GLU  80   0.664   8.292 -15.673
  643   2HB   GLU  80          HB3       GLU  80  -0.358   6.882 -15.449
  644   1HG   GLU  80          HG2       GLU  80  -1.289   7.293 -17.725
  645   2HG   GLU  80          HG3       GLU  80  -0.065   8.547 -17.933
  646    HA   PRO  81           HA       PRO  81  -5.424   8.558 -16.773
  647   1HB   PRO  81          HB3       PRO  81  -4.599   8.727 -19.609
  648   2HB   PRO  81          HB2       PRO  81  -5.887   9.575 -18.752
  649   1HG   PRO  81          HG3       PRO  81  -3.597  10.797 -19.477
  650   2HG   PRO  81          HG2       PRO  81  -4.493  11.235 -18.011
  651   1HD   PRO  81          HD2       PRO  81  -1.981   9.671 -18.311
  652   2HD   PRO  81          HD3       PRO  81  -2.496  10.740 -16.992
  653    H    GLY  82           HN       GLY  82  -5.963   6.480 -16.422
  654   1HA   GLY  82          HA1       GLY  82  -6.472   4.438 -17.815
  655   2HA   GLY  82          HA2       GLY  82  -4.750   4.447 -18.188
  656    H    LEU  83           HN       LEU  83  -5.382   5.490 -15.044
  657    HA   LEU  83           HA       LEU  83  -4.587   2.886 -13.955
  658   1HB   LEU  83          HB3       LEU  83  -3.102   4.848 -13.536
  659   2HB   LEU  83          HB2       LEU  83  -4.426   5.634 -12.705
  660    HG   LEU  83           HG       LEU  83  -4.408   3.780 -11.049
  661   1HD1  LEU  83          HD11      LEU  83  -1.717   2.954 -11.499
  662   2HD1  LEU  83          HD12      LEU  83  -3.161   1.965 -11.323
  663   3HD1  LEU  83          HD13      LEU  83  -2.686   2.570 -12.918
  664   1HD2  LEU  83          HD21      LEU  83  -3.183   5.193  -9.819
  665   2HD2  LEU  83          HD22      LEU  83  -1.715   4.702 -10.659
  666   3HD2  LEU  83          HD23      LEU  83  -2.696   6.023 -11.298
  667    HA   PRO  84           HA       PRO  84  -8.722   2.657 -12.303
  668   1HB   PRO  84          HB2       PRO  84  -8.447   0.350 -10.960
  669   2HB   PRO  84          HB3       PRO  84  -8.438   0.383 -12.725
  670   1HG   PRO  84          HG2       PRO  84  -6.124   0.239 -10.842
  671   2HG   PRO  84          HG3       PRO  84  -6.423  -0.698 -12.322
  672   1HD   PRO  84          HD3       PRO  84  -4.797   1.488 -12.234
  673   2HD   PRO  84          HD2       PRO  84  -5.700   1.009 -13.682
  674    H    SER  85           HN       SER  85  -9.748   2.347 -10.143
  675    HA   SER  85           HA       SER  85  -8.038   3.430  -8.014
  676   1HB   SER  85          HB3       SER  85 -10.129   4.591  -7.217
  677   2HB   SER  85          HB2       SER  85  -9.504   5.169  -8.762
  678    HG   SER  85           HG       SER  85 -11.143   3.232  -9.377
  679    H    PHE  86           HN       PHE  86  -7.744   1.935  -6.489
  680    HA   PHE  86           HA       PHE  86  -9.986   0.120  -5.906
  681   1HB   PHE  86          HB2       PHE  86  -8.517  -1.572  -5.292
  682   2HB   PHE  86          HB3       PHE  86  -7.749  -0.857  -6.700
  683    HD1  PHE  86           HD1      PHE  86  -5.962   0.999  -6.142
  684    HD2  PHE  86           HD2      PHE  86  -7.289  -2.032  -3.497
  685    HE1  PHE  86           HE1      PHE  86  -3.878   1.216  -4.863
  686    HE2  PHE  86           HE2      PHE  86  -5.191  -1.813  -2.179
  687    HZ   PHE  86           HZ       PHE  86  -3.491  -0.184  -2.873
  688    H    ARG  87           HN       ARG  87 -10.408  -0.449  -3.701
  689    HA   ARG  87           HA       ARG  87  -9.784   1.788  -1.894
  690   1HB   ARG  87          HB2       ARG  87 -12.076  -0.173  -1.712
  691   2HB   ARG  87          HB3       ARG  87 -11.870   1.313  -0.795
  692   1HG   ARG  87          HG3       ARG  87 -12.349   2.648  -2.637
  693   2HG   ARG  87          HG2       ARG  87 -12.082   1.319  -3.768
  694   1HD   ARG  87          HD2       ARG  87 -14.049   0.179  -2.892
  695   2HD   ARG  87          HD3       ARG  87 -14.319   1.505  -1.760
  696    HE   ARG  87           HE       ARG  87 -14.229   2.580  -4.349
  697   1HH1  ARG  87          HH11      ARG  87 -16.988   0.729  -2.475
  698   2HH1  ARG  87          HH12      ARG  87 -16.945   0.024  -4.067
  699   1HH2  ARG  87          HH21      ARG  87 -16.557   2.284  -5.787
  700   2HH2  ARG  87          HH22      ARG  87 -16.975   3.470  -4.593
  701    H    ILE  88           HN       ILE  88  -9.049   1.425   0.163
  702    HA   ILE  88           HA       ILE  88  -8.729  -1.391   0.950
  703    HB   ILE  88           HB       ILE  88  -6.573  -0.546   2.149
  704   1HG1  ILE  88          HG12      ILE  88  -6.746   1.358  -0.186
  705   2HG1  ILE  88          HG13      ILE  88  -6.827   1.815   1.511
  706   1HG2  ILE  88          HG21      ILE  88  -5.494  -1.843   0.663
  707   2HG2  ILE  88          HG22      ILE  88  -7.088  -2.074  -0.053
  708   3HG2  ILE  88          HG23      ILE  88  -5.984  -0.868  -0.723
  709   1HD1  ILE  88          HD11      ILE  88  -4.631   2.060   1.495
  710   2HD1  ILE  88          HD12      ILE  88  -4.474   0.331   1.183
  711   3HD1  ILE  88          HD13      ILE  88  -4.549   1.460  -0.166
  712    H    LYS  89           HN       LYS  89  -9.655  -1.826   2.786
  713    HA   LYS  89           HA       LYS  89  -9.944   0.304   4.790
  714   1HB   LYS  89          HB3       LYS  89 -12.173  -0.247   5.264
  715   2HB   LYS  89          HB2       LYS  89 -12.104  -0.284   3.510
  716   1HG   LYS  89          HG2       LYS  89 -12.327  -2.552   3.376
  717   2HG   LYS  89          HG3       LYS  89 -11.741  -2.824   5.026
  718   1HD   LYS  89          HD3       LYS  89 -13.785  -1.862   5.916
  719   2HD   LYS  89          HD2       LYS  89 -14.371  -1.501   4.291
  720   1HE   LYS  89          HE2       LYS  89 -14.453  -3.896   3.800
  721   2HE   LYS  89          HE3       LYS  89 -13.790  -4.270   5.391
  722   1HZ   LYS  89          HZ1       LYS  89 -16.448  -4.011   4.729
  723   2HZ   LYS  89          HZ2       LYS  89 -16.073  -2.620   5.630
  724   3HZ   LYS  89          HZ3       LYS  89 -15.774  -4.150   6.286
  725    HA   PRO  90           HA       PRO  90  -8.186  -2.489   7.693
  726   1HB   PRO  90          HB3       PRO  90  -9.704  -2.289   9.924
  727   2HB   PRO  90          HB2       PRO  90  -8.641  -0.986   9.368
  728   1HG   PRO  90          HG2       PRO  90 -11.591  -1.353   9.010
  729   2HG   PRO  90          HG3       PRO  90 -10.712   0.120   9.471
  730   1HD   PRO  90          HD2       PRO  90 -11.574  -0.317   6.951
  731   2HD   PRO  90          HD3       PRO  90 -10.067   0.552   7.295
  732    H    LYS  91           HN       LYS  91 -10.939  -3.467   6.238
  733    HA   LYS  91           HA       LYS  91 -12.250  -5.332   6.251
  734   1HB   LYS  91          HB2       LYS  91  -9.974  -6.205   5.688
  735   2HB   LYS  91          HB3       LYS  91  -9.761  -6.589   7.390
  736   1HG   LYS  91          HG2       LYS  91 -10.364  -8.567   6.180
  737   2HG   LYS  91          HG3       LYS  91 -11.689  -8.096   7.247
  738   1HD   LYS  91          HD3       LYS  91 -12.562  -6.826   5.139
  739   2HD   LYS  91          HD2       LYS  91 -11.520  -7.960   4.274
  740   1HE   LYS  91          HE2       LYS  91 -13.854  -8.572   6.065
  741   2HE   LYS  91          HE3       LYS  91 -13.660  -8.932   4.352
  742   1HZ   LYS  91          HZ1       LYS  91 -13.265 -10.967   5.390
  743   2HZ   LYS  91          HZ2       LYS  91 -12.379 -10.271   6.660
  744   3HZ   LYS  91          HZ3       LYS  91 -11.705 -10.363   5.109
  745    H    ASP  92           HN       ASP  92 -12.814  -3.809   8.325
  746    HA   ASP  92           HA       ASP  92 -12.866  -3.896  10.809
  747   1HB   ASP  92          HB2       ASP  92 -15.313  -4.098  11.005
  748   2HB   ASP  92          HB3       ASP  92 -14.768  -3.023   9.731
  749    H    PHE  93           HN       PHE  93 -11.989  -5.251  12.129
  750    HA   PHE  93           HA       PHE  93 -13.396  -7.584  12.968
  751   1HB   PHE  93          HB2       PHE  93 -12.339  -8.549  10.971
  752   2HB   PHE  93          HB3       PHE  93 -10.776  -7.920  11.483
  753    HD1  PHE  93           HD1      PHE  93 -13.495  -9.960  13.005
  754    HD2  PHE  93           HD2      PHE  93  -9.335  -9.496  12.297
  755    HE1  PHE  93           HE1      PHE  93 -13.085 -12.080  14.200
  756    HE2  PHE  93           HE2      PHE  93  -8.907 -11.615  13.481
  757    HZ   PHE  93           HZ       PHE  93 -10.777 -12.904  14.441
  758    H    GLU  94           HN       GLU  94 -13.074  -7.633  15.116
  759    HA   GLU  94           HA       GLU  94 -12.200  -7.299  17.183
  760   1HB   GLU  94          HB3       GLU  94  -9.622  -7.877  15.720
  761   2HB   GLU  94          HB2       GLU  94  -9.784  -7.830  17.470
  762   1HG   GLU  94          HG3       GLU  94 -11.076  -9.763  15.558
  763   2HG   GLU  94          HG2       GLU  94  -9.819 -10.110  16.744
  764    H    THR  95           HN       THR  95  -9.093  -6.167  16.460
  765    HA   THR  95           HA       THR  95  -9.943  -3.346  16.701
  766    HB   THR  95           HB       THR  95  -7.730  -3.137  18.046
  767    HG1  THR  95           HG1      THR  95  -7.420  -5.570  17.572
  768   1HG2  THR  95          HG21      THR  95 -10.267  -3.200  18.876
  769   2HG2  THR  95          HG22      THR  95  -8.888  -3.050  19.967
  770   3HG2  THR  95          HG23      THR  95  -9.634  -4.626  19.713
  771    H    SER  96           HN       SER  96  -9.186  -4.961  14.360
  772    HA   SER  96           HA       SER  96  -6.528  -4.141  13.624
  773   1HB   SER  96          HB3       SER  96  -7.462  -6.210  12.724
  774   2HB   SER  96          HB2       SER  96  -8.757  -5.314  11.935
  775    HG   SER  96           HG       SER  96  -6.004  -5.388  11.349
  776    H    GLU  97           HN       GLU  97  -9.415  -2.513  13.876
  777    HA   GLU  97           HA       GLU  97  -9.325  -0.845  11.580
  778   1HB   GLU  97          HB2       GLU  97 -11.287  -1.264  13.186
  779   2HB   GLU  97          HB3       GLU  97 -10.520  -0.082  14.234
  780   1HG   GLU  97          HG2       GLU  97 -10.551   1.522  12.334
  781   2HG   GLU  97          HG3       GLU  97 -11.525   0.358  11.437
  782    H    TYR  98           HN       TYR  98  -8.090  -0.625  14.893
  783    HA   TYR  98           HA       TYR  98  -7.127   2.033  14.700
  784   1HB   TYR  98          HB2       TYR  98  -6.644  -0.253  16.561
  785   2HB   TYR  98          HB3       TYR  98  -5.659   1.202  16.683
  786    HD1  TYR  98           HD1      TYR  98  -9.346   0.412  16.330
  787    HD2  TYR  98           HD2      TYR  98  -6.321   2.699  18.279
  788    HE1  TYR  98           HE1      TYR  98 -11.036   1.452  17.773
  789    HE2  TYR  98           HE2      TYR  98  -8.011   3.773  19.662
  790    HH   TYR  98           HH       TYR  98 -11.139   3.877  19.033
  791    H    VAL  99           HN       VAL  99  -5.990  -0.875  13.356
  792    HA   VAL  99           HA       VAL  99  -3.175  -0.140  13.247
  793    HB   VAL  99           HB       VAL  99  -4.644  -2.231  11.611
  794   1HG1  VAL  99          HG21      VAL  99  -1.705  -2.137  12.222
  795   2HG1  VAL  99          HG22      VAL  99  -2.546  -3.007  10.938
  796   3HG1  VAL  99          HG23      VAL  99  -2.380  -1.258  10.847
  797   1HG2  VAL  99          HG11      VAL  99  -4.239  -2.245  14.322
  798   2HG2  VAL  99          HG12      VAL  99  -4.559  -3.642  13.297
  799   3HG2  VAL  99          HG13      VAL  99  -2.897  -3.207  13.695
  800    H    ARG 100           HN       ARG 100  -5.965  -0.359  11.127
  801    HA   ARG 100           HA       ARG 100  -4.736   0.862   8.881
  802   1HB   ARG 100          HB2       ARG 100  -7.414  -0.085   9.630
  803   2HB   ARG 100          HB3       ARG 100  -7.389   1.243   8.472
  804   1HG   ARG 100          HG2       ARG 100  -5.468  -0.851   7.820
  805   2HG   ARG 100          HG3       ARG 100  -7.138  -1.428   7.844
  806   1HD   ARG 100          HD2       ARG 100  -6.462  -0.629   5.630
  807   2HD   ARG 100          HD3       ARG 100  -7.771   0.345   6.301
  808    HE   ARG 100           HE       ARG 100  -5.149   1.411   6.845
  809   1HH1  ARG 100          HH11      ARG 100  -8.191   2.460   5.403
  810   2HH1  ARG 100          HH12      ARG 100  -7.557   2.041   3.838
  811   1HH2  ARG 100          HH21      ARG 100  -4.556   3.210   4.612
  812   2HH2  ARG 100          HH22      ARG 100  -5.545   4.097   5.731
  813    H    LYS 101           HN       LYS 101  -6.266   2.077  11.705
  814    HA   LYS 101           HA       LYS 101  -7.013   4.654  10.802
  815   1HB   LYS 101          HB2       LYS 101  -7.529   3.319  13.023
  816   2HB   LYS 101          HB3       LYS 101  -6.109   4.162  13.608
  817   1HG   LYS 101          HG3       LYS 101  -7.109   6.234  13.442
  818   2HG   LYS 101          HG2       LYS 101  -8.372   5.655  12.352
  819   1HD   LYS 101          HD3       LYS 101  -8.064   4.917  15.261
  820   2HD   LYS 101          HD2       LYS 101  -9.255   6.034  14.596
  821   1HE   LYS 101          HE2       LYS 101  -9.050   3.098  13.981
  822   2HE   LYS 101          HE3       LYS 101 -10.230   3.866  15.040
  823   1HZ   LYS 101          HZ1       LYS 101 -11.442   3.738  13.104
  824   2HZ   LYS 101          HZ2       LYS 101 -10.072   3.864  12.104
  825   3HZ   LYS 101          HZ3       LYS 101 -10.704   5.248  12.852
  826    H    ALA 102           HN       ALA 102  -4.045   3.151  11.833
  827    HA   ALA 102           HA       ALA 102  -2.551   5.585  12.084
  828   1HB   ALA 102          HB1       ALA 102  -1.267   3.974  13.088
  829   2HB   ALA 102          HB2       ALA 102  -1.908   2.687  12.068
  830   3HB   ALA 102          HB3       ALA 102  -0.645   3.756  11.452
  831    H    TRP 103           HN       TRP 103  -2.611   2.938   9.767
  832    HA   TRP 103           HA       TRP 103  -1.264   3.833   7.627
  833   1HB   TRP 103          HB3       TRP 103  -3.847   2.289   7.689
  834   2HB   TRP 103          HB2       TRP 103  -3.113   2.744   6.157
  835    HD1  TRP 103           HD1      TRP 103  -2.283   0.525   9.262
  836    HE1  TRP 103           HE1      TRP 103  -0.553  -1.199   8.526
  837    HE3  TRP 103           HE3      TRP 103  -1.409   2.181   4.492
  838    HZ2  TRP 103           HZ2      TRP 103   0.958  -1.826   6.225
  839    HZ3  TRP 103           HZ3      TRP 103   0.220   0.959   3.117
  840    HH2  TRP 103           HH2      TRP 103   1.379  -1.006   3.949
  841    H    LEU 104           HN       LEU 104  -4.364   5.146   8.633
  842    HA   LEU 104           HA       LEU 104  -4.995   6.588   6.254
  843   1HB   LEU 104          HB2       LEU 104  -5.926   6.512   9.030
  844   2HB   LEU 104          HB3       LEU 104  -5.980   8.115   8.329
  845    HG   LEU 104           HG       LEU 104  -8.120   6.715   8.163
  846   1HD1  LEU 104          HD21      LEU 104  -7.632   8.785   6.896
  847   2HD1  LEU 104          HD22      LEU 104  -7.004   7.782   5.587
  848   3HD1  LEU 104          HD23      LEU 104  -8.700   7.656   6.062
  849   1HD2  LEU 104          HD11      LEU 104  -6.399   5.314   6.158
  850   2HD2  LEU 104          HD12      LEU 104  -7.240   4.631   7.553
  851   3HD2  LEU 104          HD13      LEU 104  -8.166   5.221   6.180
  852    H    ARG 105           HN       ARG 105  -3.429   7.457   9.249
  853    HA   ARG 105           HA       ARG 105  -2.667  10.104   8.463
  854   1HB   ARG 105          HB2       ARG 105  -2.876   9.533  10.806
  855   2HB   ARG 105          HB3       ARG 105  -1.636   8.300  10.658
  856   1HG   ARG 105          HG3       ARG 105   0.035  10.012  10.252
  857   2HG   ARG 105          HG2       ARG 105  -1.207  11.267  10.312
  858   1HD   ARG 105          HD2       ARG 105  -1.693  10.647  12.642
  859   2HD   ARG 105          HD3       ARG 105  -0.445   9.403  12.569
  860    HE   ARG 105           HE       ARG 105   1.095  11.048  12.991
  861   1HH1  ARG 105          HH12      ARG 105  -1.226  13.288  10.998
  862   2HH1  ARG 105          HH11      ARG 105  -1.690  13.614  12.644
  863   1HH2  ARG 105          HH21      ARG 105   1.162  13.773  13.769
  864   2HH2  ARG 105          HH22      ARG 105   1.623  13.979  12.099
  865    H    ASP 106           HN       ASP 106  -1.012   6.971   8.539
  866    HA   ASP 106           HA       ASP 106   1.518   7.846   7.658
  867   1HB   ASP 106          HB2       ASP 106   0.145   5.159   7.482
  868   2HB   ASP 106          HB3       ASP 106   1.815   5.410   6.981
  869    H    ILE 107           HN       ILE 107  -1.449   7.219   5.907
  870    HA   ILE 107           HA       ILE 107  -0.036   7.267   3.342
  871    HB   ILE 107           HB       ILE 107  -2.084   5.725   3.990
  872   1HG1  ILE 107          HG13      ILE 107  -2.748   5.704   1.533
  873   2HG1  ILE 107          HG12      ILE 107  -1.714   7.114   1.318
  874   1HG2  ILE 107          HG21      ILE 107  -3.818   7.578   2.583
  875   2HG2  ILE 107          HG22      ILE 107  -4.129   6.566   3.996
  876   3HG2  ILE 107          HG23      ILE 107  -3.347   8.134   4.192
  877   1HD1  ILE 107          HD11      ILE 107  -0.709   4.478   2.359
  878   2HD1  ILE 107          HD12      ILE 107  -0.657   4.977   0.665
  879   3HD1  ILE 107          HD13      ILE 107   0.234   5.897   1.888
  880    H    ALA 108           HN       ALA 108  -1.927   9.286   5.445
  881    HA   ALA 108           HA       ALA 108  -2.696  11.256   3.541
  882   1HB   ALA 108          HB1       ALA 108  -2.447  12.378   6.161
  883   2HB   ALA 108          HB2       ALA 108  -3.913  11.958   5.267
  884   3HB   ALA 108          HB3       ALA 108  -3.129  10.754   6.286
  885    H    GLU 109           HN       GLU 109   0.169  10.384   5.020
  886    HA   GLU 109           HA       GLU 109   1.637  12.520   3.800
  887   1HB   GLU 109          HB3       GLU 109   2.828  13.066   6.009
  888   2HB   GLU 109          HB2       GLU 109   1.242  13.771   5.739
  889   1HG   GLU 109          HG2       GLU 109   0.222  12.143   7.165
  890   2HG   GLU 109          HG3       GLU 109   1.770  11.331   7.405
  891    H    GLU 110           HN       GLU 110   2.140  10.417   2.786
  892    HA   GLU 110           HA       GLU 110   3.651   8.439   4.147
  893   1HB   GLU 110          HB3       GLU 110   4.147   8.789   1.259
  894   2HB   GLU 110          HB2       GLU 110   3.705   7.351   2.166
  895   1HG   GLU 110          HG2       GLU 110   1.858   7.659   0.822
  896   2HG   GLU 110          HG3       GLU 110   1.361   8.480   2.299
  897    H    GLN 111           HN       GLN 111   5.682   8.442   4.731
  898    HA   GLN 111           HA       GLN 111   7.661   9.356   5.379
  899   1HB   GLN 111          HB3       GLN 111   9.371   9.292   3.676
  900   2HB   GLN 111          HB2       GLN 111   8.261   7.955   3.444
  901   1HG   GLN 111          HG2       GLN 111   7.684  10.371   1.870
  902   2HG   GLN 111          HG3       GLN 111   9.169   9.506   1.472
  903   1HE2  GLN 111          HE21      GLN 111   6.069   9.790   0.649
  904   2HE2  GLN 111          HE22      GLN 111   5.659   8.180   0.175
  905    H    GLU 112           HN       GLU 112   6.001  11.229   5.747
  906    HA   GLU 112           HA       GLU 112   6.102  13.591   4.330
  907   1HB   GLU 112          HB3       GLU 112   5.248  14.673   6.364
  908   2HB   GLU 112          HB2       GLU 112   4.422  13.165   6.007
  909   1HG   GLU 112          HG2       GLU 112   4.701  12.878   8.224
  910   2HG   GLU 112          HG3       GLU 112   6.236  12.205   7.677
  911    H    LYS 113           HN       LYS 113   8.618  12.238   6.147
  912    HA   LYS 113           HA       LYS 113   9.966  14.646   6.923
  913   1HB   LYS 113          HB3       LYS 113  10.996  11.842   6.420
  914   2HB   LYS 113          HB2       LYS 113  12.001  13.146   7.037
  915   1HG   LYS 113          HG2       LYS 113  11.419  12.006   8.968
  916   2HG   LYS 113          HG3       LYS 113  10.210  13.289   8.908
  917   1HD   LYS 113          HD2       LYS 113   8.599  11.789   7.972
  918   2HD   LYS 113          HD3       LYS 113   9.790  10.486   7.897
  919   1HE   LYS 113          HE2       LYS 113   8.356  10.190   9.828
  920   2HE   LYS 113          HE3       LYS 113   9.994  10.578  10.353
  921   1HZ   LYS 113          HZ1       LYS 113   9.389  12.662  11.078
  922   2HZ   LYS 113          HZ2       LYS 113   7.974  11.791  11.420
  923   3HZ   LYS 113          HZ3       LYS 113   8.052  12.762  10.034
  924    H    TYR 114           HN       TYR 114  10.231  12.364   4.247
  925    HA   TYR 114           HA       TYR 114  12.202  13.794   2.806
  926   1HB   TYR 114          HB3       TYR 114  10.217  11.713   1.899
  927   2HB   TYR 114          HB2       TYR 114  11.543  12.318   0.917
  928    HD1  TYR 114           HD1      TYR 114  10.870  10.559   4.156
  929    HD2  TYR 114           HD2      TYR 114  13.625  11.328   0.991
  930    HE1  TYR 114           HE1      TYR 114  12.374   8.845   5.072
  931    HE2  TYR 114           HE2      TYR 114  15.118   9.590   1.877
  932    HH   TYR 114           HH       TYR 114  14.783   7.401   3.382
  933    H    ALA 115           HN       ALA 115   8.681  13.766   2.746
  934    HA   ALA 115           HA       ALA 115   8.420  15.368   0.408
  935   1HB   ALA 115          HB1       ALA 115   6.331  14.660   0.539
  936   2HB   ALA 115          HB2       ALA 115   6.711  13.890   2.081
  937   3HB   ALA 115          HB3       ALA 115   6.099  15.541   2.048
  938    H    ALA 116           HN       ALA 116   9.299  16.190   3.535
  939    HA   ALA 116           HA       ALA 116   9.659  18.147   4.636
  940   1HB   ALA 116          HB1       ALA 116  10.562  18.838   2.406
  941   2HB   ALA 116          HB2       ALA 116   8.979  19.530   2.040
  942   3HB   ALA 116          HB3       ALA 116   9.930  20.166   3.380
  943    H    GLU 117           HN       GLU 117   7.452  17.222   5.486
  944    HA   GLU 117           HA       GLU 117   5.314  17.444   6.154
  945   1HB   GLU 117          HB2       GLU 117   4.890  19.466   7.454
  946   2HB   GLU 117          HB3       GLU 117   6.521  18.874   7.725
  947   1HG   GLU 117          HG2       GLU 117   7.356  20.601   6.155
  948   2HG   GLU 117          HG3       GLU 117   5.709  21.206   6.007
  949    H    ARG 118           HN       ARG 118   5.187  17.553   3.437
  950    HA   ARG 118           HA       ARG 118   2.730  18.988   3.097
  951   1HB   ARG 118          HB3       ARG 118   4.642  20.655   2.548
  952   2HB   ARG 118          HB2       ARG 118   4.901  19.662   1.123
  953   1HG   ARG 118          HG2       ARG 118   2.574  20.090   0.414
  954   2HG   ARG 118          HG3       ARG 118   2.375  21.135   1.825
  955   1HD   ARG 118          HD2       ARG 118   4.382  21.528  -0.387
  956   2HD   ARG 118          HD3       ARG 118   2.865  22.406  -0.199
  957    HE   ARG 118           HE       ARG 118   4.354  22.666   2.174
  958   1HH1  ARG 118          HH12      ARG 118   3.782  24.472  -0.804
  959   2HH1  ARG 118          HH11      ARG 118   5.478  24.817  -1.000
  960   1HH2  ARG 118          HH21      ARG 118   5.048  25.396   2.230
  961   2HH2  ARG 118          HH22      ARG 118   6.588  24.827   1.641
  962    H    ASP 119           HN       ASP 119   1.744  18.442   1.042
  963    HA   ASP 119           HA       ASP 119   2.745  15.883  -0.011
  964   1HB   ASP 119          HB3       ASP 119   0.700  15.571   1.278
  965   2HB   ASP 119          HB2       ASP 119  -0.107  16.839   0.353
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1  13.724   4.538  19.833
    2   2H    MET   1          HT2       MET   1  13.621   6.226  20.141
    3   3H    MET   1          HT3       MET   1  13.198   5.089  21.370
    4    HA   MET   1           HA       MET   1  15.849   5.662  20.242
    5   1HB   MET   1          HB2       MET   1  14.931   7.181  22.001
    6   2HB   MET   1          HB3       MET   1  14.715   5.791  23.051
    7   1HG   MET   1          HG3       MET   1  17.125   5.390  23.017
    8   2HG   MET   1          HG2       MET   1  17.332   6.833  22.019
    9   1HE   MET   1          HE1       MET   1  18.769   8.222  25.305
   10   2HE   MET   1          HE2       MET   1  18.956   6.543  24.822
   11   3HE   MET   1          HE3       MET   1  19.040   7.830  23.616
   12    H    GLY   2           HN       GLY   2  17.286   4.065  20.258
   13   1HA   GLY   2          HA2       GLY   2  18.349   2.132  21.053
   14   2HA   GLY   2          HA1       GLY   2  16.950   1.806  22.075
   15    H    ASP   3           HN       ASP   3  17.790  -0.350  20.839
   16    HA   ASP   3           HA       ASP   3  16.655  -0.622  18.196
   17   1HB   ASP   3          HB2       ASP   3  17.912  -2.601  20.097
   18   2HB   ASP   3          HB3       ASP   3  17.192  -3.091  18.567
   19    H    THR   4           HN       THR   4  14.491  -0.119  18.466
   20    HA   THR   4           HA       THR   4  12.803  -1.310  20.395
   21    HB   THR   4           HB       THR   4  11.849  -0.303  17.717
   22    HG1  THR   4           HG1      THR   4  12.760   1.235  19.928
   23   1HG2  THR   4          HG21      THR   4  10.255  -1.154  19.514
   24   2HG2  THR   4          HG22      THR   4   9.943   0.435  18.815
   25   3HG2  THR   4          HG23      THR   4  10.693   0.300  20.408
   26    H    GLY   5           HN       GLY   5  13.909  -2.325  17.251
   27   1HA   GLY   5          HA1       GLY   5  13.813  -4.436  16.316
   28   2HA   GLY   5          HA2       GLY   5  12.865  -4.974  17.692
   29    H    LYS   6           HN       LYS   6  11.713  -2.163  16.155
   30    HA   LYS   6           HA       LYS   6   9.837  -3.719  14.508
   31   1HB   LYS   6          HB3       LYS   6   9.127  -1.527  16.449
   32   2HB   LYS   6          HB2       LYS   6   8.018  -2.171  15.247
   33   1HG   LYS   6          HG2       LYS   6   8.063  -4.340  16.290
   34   2HG   LYS   6          HG3       LYS   6   9.299  -3.799  17.429
   35   1HD   LYS   6          HD2       LYS   6   7.733  -2.179  18.375
   36   2HD   LYS   6          HD3       LYS   6   6.498  -2.704  17.232
   37   1HE   LYS   6          HE2       LYS   6   6.048  -3.782  19.314
   38   2HE   LYS   6          HE3       LYS   6   6.699  -4.994  18.219
   39   1HZ   LYS   6          HZ1       LYS   6   7.615  -5.012  20.539
   40   2HZ   LYS   6          HZ2       LYS   6   8.380  -3.548  20.179
   41   3HZ   LYS   6          HZ3       LYS   6   8.778  -4.937  19.295
   42    H    LEU   7           HN       LEU   7  11.880  -1.002  14.825
   43    HA   LEU   7           HA       LEU   7  10.603   0.524  12.717
   44   1HB   LEU   7          HB2       LEU   7  13.041   0.954  14.414
   45   2HB   LEU   7          HB3       LEU   7  12.765   1.931  12.989
   46    HG   LEU   7           HG       LEU   7  12.013   3.169  14.874
   47   1HD1  LEU   7          HD21      LEU   7  10.552   3.681  13.174
   48   2HD1  LEU   7          HD22      LEU   7   9.889   2.048  13.100
   49   3HD1  LEU   7          HD23      LEU   7   9.434   3.118  14.411
   50   1HD2  LEU   7          HD11      LEU   7  11.091   2.303  16.701
   51   2HD2  LEU   7          HD12      LEU   7   9.850   1.456  15.768
   52   3HD2  LEU   7          HD13      LEU   7  11.437   0.711  16.001
   53    H    GLY   8           HN       GLY   8  12.075   1.370  10.942
   54   1HA   GLY   8          HA2       GLY   8  14.110   0.763   9.625
   55   2HA   GLY   8          HA1       GLY   8  13.594  -0.909   9.812
   56    H    ARG   9           HN       ARG   9  10.789  -0.095   9.641
   57    HA   ARG   9           HA       ARG   9  10.591   0.081   6.723
   58   1HB   ARG   9          HB2       ARG   9   8.585  -0.803   8.806
   59   2HB   ARG   9          HB3       ARG   9   8.257  -0.717   7.080
   60   1HG   ARG   9          HG3       ARG   9   9.916  -2.419   6.664
   61   2HG   ARG   9          HG2       ARG   9  10.283  -2.512   8.377
   62   1HD   ARG   9          HD3       ARG   9   7.633  -3.102   7.065
   63   2HD   ARG   9          HD2       ARG   9   8.733  -4.285   7.773
   64    HE   ARG   9           HE       ARG   9   6.804  -2.655   9.144
   65   1HH1  ARG   9          HH12      ARG   9  10.054  -4.276  10.012
   66   2HH1  ARG   9          HH11      ARG   9   8.936  -5.273  10.901
   67   1HH2  ARG   9          HH22      ARG   9   6.684  -3.625  11.635
   68   2HH2  ARG   9          HH21      ARG   9   7.960  -2.502  12.077
   69    H    ILE  10           HN       ILE  10   9.969   1.988   5.889
   70    HA   ILE  10           HA       ILE  10   8.837   3.985   7.656
   71    HB   ILE  10           HB       ILE  10  10.520   4.696   6.000
   72   1HG1  ILE  10          HG12      ILE  10   9.335   6.634   5.074
   73   2HG1  ILE  10          HG13      ILE  10   7.788   5.844   5.393
   74   1HG2  ILE  10          HG21      ILE  10   8.927   4.669   3.626
   75   2HG2  ILE  10          HG22      ILE  10  10.538   4.008   3.915
   76   3HG2  ILE  10          HG23      ILE  10   9.104   3.035   4.262
   77   1HD1  ILE  10          HD11      ILE  10   8.848   5.795   7.863
   78   2HD1  ILE  10          HD12      ILE  10   9.591   7.266   7.220
   79   3HD1  ILE  10          HD13      ILE  10   7.838   7.101   7.241
   80    H    ILE  11           HN       ILE  11   6.714   4.842   7.315
   81    HA   ILE  11           HA       ILE  11   4.503   4.747   6.934
   82    HB   ILE  11           HB       ILE  11   5.018   2.915   4.575
   83   1HG1  ILE  11          HG13      ILE  11   4.974   5.946   4.613
   84   2HG1  ILE  11          HG12      ILE  11   6.426   4.966   4.421
   85   1HG2  ILE  11          HG21      ILE  11   2.875   3.460   3.872
   86   2HG2  ILE  11          HG22      ILE  11   2.660   3.466   5.616
   87   3HG2  ILE  11          HG23      ILE  11   2.866   4.990   4.751
   88   1HD1  ILE  11          HD11      ILE  11   6.014   4.557   2.258
   89   2HD1  ILE  11          HD12      ILE  11   4.270   4.401   2.503
   90   3HD1  ILE  11          HD13      ILE  11   5.004   6.011   2.381
   91    H    ARG  12           HN       ARG  12   3.823   1.831   5.580
   92    HA   ARG  12           HA       ARG  12   4.370   0.107   7.823
   93   1HB   ARG  12          HB2       ARG  12   1.912   1.615   7.758
   94   2HB   ARG  12          HB3       ARG  12   1.571  -0.100   7.617
   95   1HG   ARG  12          HG3       ARG  12   1.471   0.169   9.882
   96   2HG   ARG  12          HG2       ARG  12   3.177  -0.252   9.705
   97   1HD   ARG  12          HD3       ARG  12   3.844   2.011   9.866
   98   2HD   ARG  12          HD2       ARG  12   2.189   2.584   9.708
   99    HE   ARG  12           HE       ARG  12   2.365   0.964  11.991
  100   1HH1  ARG  12          HH12      ARG  12   3.106   4.514  11.181
  101   2HH1  ARG  12          HH11      ARG  12   4.481   4.142  12.184
  102   1HH2  ARG  12          HH21      ARG  12   3.292   2.190  14.215
  103   2HH2  ARG  12          HH22      ARG  12   2.123   3.471  14.084
  104    H    HIS  13           HN       HIS  13   2.545  -1.809   7.529
  105    HA   HIS  13           HA       HIS  13   2.190  -2.446   4.718
  106   1HB   HIS  13          HB2       HIS  13   3.162  -4.697   4.943
  107   2HB   HIS  13          HB3       HIS  13   4.367  -3.445   5.166
  108    HD1  HIS  13           HD1      HIS  13   5.611  -5.672   6.172
  109    HD2  HIS  13           HD2      HIS  13   2.622  -3.946   8.488
  110    HE1  HIS  13           HE1      HIS  13   5.934  -6.577   8.483
  111    HE2  HIS  13           HE2      HIS  13   3.973  -5.718   9.800
  112    H    ASP  14           HN       ASP  14   0.219  -3.429   4.413
  113    HA   ASP  14           HA       ASP  14  -1.046  -4.838   6.621
  114   1HB   ASP  14          HB3       ASP  14  -1.487  -2.471   7.127
  115   2HB   ASP  14          HB2       ASP  14  -2.264  -2.272   5.561
  116    H    ALA  15           HN       ALA  15  -2.637  -6.193   6.050
  117    HA   ALA  15           HA       ALA  15  -3.108  -6.540   3.167
  118   1HB   ALA  15          HB1       ALA  15  -2.558  -8.348   5.279
  119   2HB   ALA  15          HB2       ALA  15  -4.162  -8.707   4.653
  120   3HB   ALA  15          HB3       ALA  15  -2.773  -8.687   3.569
  121    H    PHE  16           HN       PHE  16  -4.875  -5.535   2.496
  122    HA   PHE  16           HA       PHE  16  -7.228  -5.412   4.237
  123   1HB   PHE  16          HB2       PHE  16  -6.371  -3.846   1.813
  124   2HB   PHE  16          HB3       PHE  16  -8.033  -3.811   2.381
  125    HD1  PHE  16           HD1      PHE  16  -8.424  -3.093   4.789
  126    HD2  PHE  16           HD2      PHE  16  -4.821  -2.384   2.659
  127    HE1  PHE  16           HE1      PHE  16  -7.875  -1.272   6.343
  128    HE2  PHE  16           HE2      PHE  16  -4.268  -0.539   4.189
  129    HZ   PHE  16           HZ       PHE  16  -5.796   0.015   6.041
  130    H    GLN  17           HN       GLN  17  -9.246  -6.050   3.581
  131    HA   GLN  17           HA       GLN  17  -9.316  -7.820   1.229
  132   1HB   GLN  17          HB3       GLN  17  -9.958  -8.839   3.431
  133   2HB   GLN  17          HB2       GLN  17 -11.279  -7.685   3.545
  134   1HG   GLN  17          HG3       GLN  17 -12.224  -8.594   1.467
  135   2HG   GLN  17          HG2       GLN  17 -10.924  -9.780   1.413
  136   1HE2  GLN  17          HE21      GLN  17 -11.483 -11.682   2.101
  137   2HE2  GLN  17          HE22      GLN  17 -12.840 -12.028   3.109
  138    H    VAL  18           HN       VAL  18  -9.606  -6.245  -0.281
  139    HA   VAL  18           HA       VAL  18 -12.147  -4.783  -0.156
  140    HB   VAL  18           HB       VAL  18 -10.805  -2.962  -1.421
  141   1HG1  VAL  18          HG21      VAL  18 -11.726  -3.358   1.150
  142   2HG1  VAL  18          HG22      VAL  18 -10.070  -2.774   1.360
  143   3HG1  VAL  18          HG23      VAL  18 -11.230  -1.829   0.424
  144   1HG2  VAL  18          HG11      VAL  18  -8.553  -2.933  -1.245
  145   2HG2  VAL  18          HG12      VAL  18  -8.567  -3.682   0.354
  146   3HG2  VAL  18          HG13      VAL  18  -8.749  -4.691  -1.083
  147    H    TRP  19           HN       TRP  19 -11.832  -3.297  -2.346
  148    HA   TRP  19           HA       TRP  19 -12.182  -5.224  -4.521
  149   1HB   TRP  19          HB2       TRP  19 -13.253  -2.415  -4.324
  150   2HB   TRP  19          HB3       TRP  19 -13.845  -3.736  -5.330
  151    HD1  TRP  19           HD1      TRP  19 -15.355  -5.620  -4.116
  152    HE1  TRP  19           HE1      TRP  19 -16.784  -5.551  -1.986
  153    HE3  TRP  19           HE3      TRP  19 -13.322  -1.467  -1.885
  154    HZ2  TRP  19           HZ2      TRP  19 -17.018  -3.973   0.328
  155    HZ3  TRP  19           HZ3      TRP  19 -14.214  -0.764   0.284
  156    HH2  TRP  19           HH2      TRP  19 -16.020  -1.992   1.372
  157    H    GLU  20           HN       GLU  20 -10.114  -5.228  -5.447
  158    HA   GLU  20           HA       GLU  20  -9.008  -2.622  -6.246
  159   1HB   GLU  20          HB2       GLU  20  -7.582  -4.255  -4.905
  160   2HB   GLU  20          HB3       GLU  20  -7.589  -5.268  -6.338
  161   1HG   GLU  20          HG3       GLU  20  -6.736  -2.454  -6.663
  162   2HG   GLU  20          HG2       GLU  20  -5.642  -3.552  -5.834
  163    H    GLY  21           HN       GLY  21 -10.361  -2.345  -7.944
  164   1HA   GLY  21          HA1       GLY  21 -10.907  -2.296 -10.182
  165   2HA   GLY  21          HA2       GLY  21  -9.510  -3.312 -10.472
  166    H    ASP  22           HN       ASP  22  -9.977  -5.639  -9.436
  167    HA   ASP  22           HA       ASP  22 -12.130  -6.702 -11.017
  168   1HB   ASP  22          HB3       ASP  22  -9.835  -7.801 -10.567
  169   2HB   ASP  22          HB2       ASP  22 -10.488  -8.231  -8.986
  170    H    GLU  23           HN       GLU  23 -13.499  -5.213  -9.802
  171    HA   GLU  23           HA       GLU  23 -14.580  -4.649  -7.688
  172   1HB   GLU  23          HB3       GLU  23 -16.190  -6.426  -9.490
  173   2HB   GLU  23          HB2       GLU  23 -16.886  -5.479  -8.192
  174   1HG   GLU  23          HG2       GLU  23 -15.798  -3.468  -9.305
  175   2HG   GLU  23          HG3       GLU  23 -15.558  -4.524 -10.695
  176    HA   PRO  24           HA       PRO  24 -16.326  -8.845  -5.632
  177   1HB   PRO  24          HB3       PRO  24 -14.220 -10.523  -6.964
  178   2HB   PRO  24          HB2       PRO  24 -15.809 -11.010  -6.330
  179   1HG   PRO  24          HG3       PRO  24 -15.451 -10.616  -8.942
  180   2HG   PRO  24          HG2       PRO  24 -16.943 -10.115  -8.151
  181   1HD   PRO  24          HD2       PRO  24 -14.713  -8.468  -9.184
  182   2HD   PRO  24          HD3       PRO  24 -16.422  -8.045  -8.956
  183    HA   PRO  25           HA       PRO  25 -13.119  -7.408  -2.829
  184   1HB   PRO  25          HB2       PRO  25 -14.150  -8.993  -0.749
  185   2HB   PRO  25          HB3       PRO  25 -14.461  -7.282  -1.038
  186   1HG   PRO  25          HG3       PRO  25 -16.105  -9.678  -1.708
  187   2HG   PRO  25          HG2       PRO  25 -16.612  -8.006  -1.343
  188   1HD   PRO  25          HD2       PRO  25 -16.665  -9.018  -3.843
  189   2HD   PRO  25          HD3       PRO  25 -16.316  -7.301  -3.523
  190    H    LYS  26           HN       LYS  26 -11.161  -8.139  -2.596
  191    HA   LYS  26           HA       LYS  26 -10.699 -11.019  -2.172
  192   1HB   LYS  26          HB3       LYS  26  -9.163  -9.258  -4.111
  193   2HB   LYS  26          HB2       LYS  26  -8.771 -10.923  -3.716
  194   1HG   LYS  26          HG3       LYS  26 -10.781 -11.711  -4.733
  195   2HG   LYS  26          HG2       LYS  26 -11.344 -10.065  -4.979
  196   1HD   LYS  26          HD2       LYS  26  -9.420  -9.664  -6.486
  197   2HD   LYS  26          HD3       LYS  26  -8.921 -11.337  -6.243
  198   1HE   LYS  26          HE3       LYS  26 -10.156 -11.010  -8.336
  199   2HE   LYS  26          HE2       LYS  26 -10.959 -12.128  -7.235
  200   1HZ   LYS  26          HZ1       LYS  26 -12.748 -10.859  -7.194
  201   2HZ   LYS  26          HZ2       LYS  26 -12.063  -9.923  -8.430
  202   3HZ   LYS  26          HZ3       LYS  26 -11.840  -9.469  -6.812
  203    H    LEU  27           HN       LEU  27  -8.638 -11.482  -1.159
  204    HA   LEU  27           HA       LEU  27  -7.867  -9.421   0.710
  205   1HB   LEU  27          HB3       LEU  27  -8.024 -11.645   1.584
  206   2HB   LEU  27          HB2       LEU  27  -7.050 -12.289   0.280
  207    HG   LEU  27           HG       LEU  27  -5.091 -11.151   1.158
  208   1HD1  LEU  27          HD21      LEU  27  -5.370  -9.393   2.436
  209   2HD1  LEU  27          HD22      LEU  27  -7.063  -9.785   2.717
  210   3HD1  LEU  27          HD23      LEU  27  -5.806 -10.489   3.744
  211   1HD2  LEU  27          HD11      LEU  27  -4.617 -12.794   2.601
  212   2HD2  LEU  27          HD12      LEU  27  -6.084 -12.553   3.542
  213   3HD2  LEU  27          HD13      LEU  27  -6.142 -13.442   2.016
  214    H    ARG  28           HN       ARG  28  -6.382  -7.935   0.159
  215    HA   ARG  28           HA       ARG  28  -4.053  -8.827  -1.356
  216   1HB   ARG  28          HB3       ARG  28  -5.799  -6.476  -2.144
  217   2HB   ARG  28          HB2       ARG  28  -4.202  -6.789  -2.824
  218   1HG   ARG  28          HG3       ARG  28  -4.980  -8.985  -3.581
  219   2HG   ARG  28          HG2       ARG  28  -6.581  -8.621  -2.943
  220   1HD   ARG  28          HD2       ARG  28  -6.993  -6.992  -4.569
  221   2HD   ARG  28          HD3       ARG  28  -5.282  -6.875  -5.006
  222    HE   ARG  28           HE       ARG  28  -6.103  -9.497  -5.483
  223   1HH1  ARG  28          HH12      ARG  28  -6.589  -6.339  -7.520
  224   2HH1  ARG  28          HH11      ARG  28  -8.121  -7.154  -7.555
  225   1HH2  ARG  28          HH21      ARG  28  -5.631  -9.452  -8.385
  226   2HH2  ARG  28          HH22      ARG  28  -7.360  -9.643  -8.292
  227    H    TYR  29           HN       TYR  29  -2.400  -8.435  -0.156
  228    HA   TYR  29           HA       TYR  29  -2.489  -6.438   1.912
  229   1HB   TYR  29          HB2       TYR  29   0.065  -7.455   1.988
  230   2HB   TYR  29          HB3       TYR  29  -1.312  -8.065   2.894
  231    HD1  TYR  29           HD1      TYR  29   0.366  -8.487  -0.424
  232    HD2  TYR  29           HD2      TYR  29  -1.905 -10.301   2.692
  233    HE1  TYR  29           HE1      TYR  29   0.603 -10.664  -1.526
  234    HE2  TYR  29           HE2      TYR  29  -1.684 -12.487   1.572
  235    HH   TYR  29           HH       TYR  29  -0.703 -12.863  -1.576
  236    H    VAL  30           HN       VAL  30  -1.801  -4.490   1.843
  237    HA   VAL  30           HA       VAL  30  -0.189  -3.560  -0.418
  238    HB   VAL  30           HB       VAL  30  -1.727  -1.962   1.642
  239   1HG1  VAL  30          HG21      VAL  30  -0.485  -0.313   0.813
  240   2HG1  VAL  30          HG22      VAL  30   0.003  -1.255  -0.604
  241   3HG1  VAL  30          HG23      VAL  30  -1.560  -0.428  -0.586
  242   1HG2  VAL  30          HG11      VAL  30  -2.793  -2.014  -1.068
  243   2HG2  VAL  30          HG12      VAL  30  -2.814  -3.592  -0.288
  244   3HG2  VAL  30          HG13      VAL  30  -3.614  -2.230   0.475
  245    H    PHE  31           HN       PHE  31   1.837  -2.882  -0.148
  246    HA   PHE  31           HA       PHE  31   2.815  -2.365   2.583
  247   1HB   PHE  31          HB2       PHE  31   4.480  -3.600   0.378
  248   2HB   PHE  31          HB3       PHE  31   4.916  -3.422   2.071
  249    HD1  PHE  31           HD1      PHE  31   2.770  -5.291  -0.296
  250    HD2  PHE  31           HD2      PHE  31   4.300  -5.034   3.676
  251    HE1  PHE  31           HE1      PHE  31   1.972  -7.571   0.165
  252    HE2  PHE  31           HE2      PHE  31   3.507  -7.318   4.128
  253    HZ   PHE  31           HZ       PHE  31   2.346  -8.594   2.372
  254    H    LEU  32           HN       LEU  32   3.038  -0.150   2.587
  255    HA   LEU  32           HA       LEU  32   4.122   1.073   0.152
  256   1HB   LEU  32          HB2       LEU  32   3.145   2.671   2.487
  257   2HB   LEU  32          HB3       LEU  32   3.320   3.131   0.803
  258    HG   LEU  32           HG       LEU  32   1.142   1.332   1.902
  259   1HD1  LEU  32          HD11      LEU  32   1.424   4.206   1.513
  260   2HD1  LEU  32          HD12      LEU  32   0.041   3.531   0.663
  261   3HD1  LEU  32          HD13      LEU  32   0.200   3.294   2.397
  262   1HD2  LEU  32          HD21      LEU  32   2.212   1.640  -0.747
  263   2HD2  LEU  32          HD22      LEU  32   0.912   0.600  -0.175
  264   3HD2  LEU  32          HD23      LEU  32   0.554   2.247  -0.677
  265    H    PHE  33           HN       PHE  33   6.038   2.019   0.071
  266    HA   PHE  33           HA       PHE  33   7.480   2.562   2.559
  267   1HB   PHE  33          HB2       PHE  33   8.668   1.057   0.188
  268   2HB   PHE  33          HB3       PHE  33   9.595   1.677   1.555
  269    HD1  PHE  33           HD1      PHE  33   7.229  -0.871   0.437
  270    HD2  PHE  33           HD2      PHE  33   9.533   0.584   3.701
  271    HE1  PHE  33           HE1      PHE  33   6.838  -2.980   1.637
  272    HE2  PHE  33           HE2      PHE  33   9.112  -1.503   4.930
  273    HZ   PHE  33           HZ       PHE  33   7.773  -3.298   3.895
  274    H    ARG  34           HN       ARG  34   9.460   4.031   1.979
  275    HA   ARG  34           HA       ARG  34   8.424   6.133   0.316
  276   1HB   ARG  34          HB3       ARG  34   9.955   6.209   2.512
  277   2HB   ARG  34          HB2       ARG  34  11.223   6.295   1.294
  278   1HG   ARG  34          HG3       ARG  34   8.864   8.120   1.122
  279   2HG   ARG  34          HG2       ARG  34  10.189   8.478   2.229
  280   1HD   ARG  34          HD3       ARG  34  11.056   7.768  -0.466
  281   2HD   ARG  34          HD2       ARG  34  10.082   9.233  -0.394
  282    HE   ARG  34           HE       ARG  34  11.982   9.428   1.619
  283   1HH1  ARG  34          HH12      ARG  34  12.823   8.836  -1.914
  284   2HH1  ARG  34          HH11      ARG  34  12.424  10.530  -2.047
  285   1HH2  ARG  34          HH21      ARG  34  14.573  10.057   0.778
  286   2HH2  ARG  34          HH22      ARG  34  13.894  11.536   0.156
  287    H    ASN  35           HN       ASN  35   8.354   4.698  -1.547
  288    HA   ASN  35           HA       ASN  35  10.439   5.315  -3.394
  289   1HB   ASN  35          HB2       ASN  35  11.455   3.361  -2.219
  290   2HB   ASN  35          HB3       ASN  35  10.063   2.394  -2.682
  291   1HD2  ASN  35          HD21      ASN  35  11.038   4.667  -5.035
  292   2HD2  ASN  35          HD22      ASN  35  11.685   3.502  -6.137
  293    H    LYS  36           HN       LYS  36   7.722   3.202  -2.615
  294    HA   LYS  36           HA       LYS  36   6.021   4.218  -4.596
  295   1HB   LYS  36          HB2       LYS  36   5.885   2.387  -6.161
  296   2HB   LYS  36          HB3       LYS  36   7.548   2.955  -6.114
  297   1HG   LYS  36          HG2       LYS  36   8.291   1.062  -4.954
  298   2HG   LYS  36          HG3       LYS  36   6.660   0.643  -4.420
  299   1HD   LYS  36          HD3       LYS  36   6.043   0.013  -6.676
  300   2HD   LYS  36          HD2       LYS  36   7.617   0.529  -7.278
  301   1HE   LYS  36          HE2       LYS  36   8.703  -1.180  -5.926
  302   2HE   LYS  36          HE3       LYS  36   7.145  -1.664  -5.258
  303   1HZ   LYS  36          HZ1       LYS  36   7.082  -1.728  -8.100
  304   2HZ   LYS  36          HZ2       LYS  36   6.791  -2.976  -6.978
  305   3HZ   LYS  36          HZ3       LYS  36   8.370  -2.649  -7.534
  306    H    ILE  37           HN       ILE  37   4.300   2.243  -5.037
  307    HA   ILE  37           HA       ILE  37   3.519   1.390  -2.318
  308    HB   ILE  37           HB       ILE  37   1.910   1.652  -4.877
  309   1HG1  ILE  37          HG13      ILE  37   1.730   3.062  -2.209
  310   2HG1  ILE  37          HG12      ILE  37   2.363   3.751  -3.703
  311   1HG2  ILE  37          HG21      ILE  37   1.212  -0.349  -3.643
  312   2HG2  ILE  37          HG22      ILE  37   0.988   0.628  -2.185
  313   3HG2  ILE  37          HG23      ILE  37  -0.037   0.899  -3.606
  314   1HD1  ILE  37          HD11      ILE  37   0.275   4.603  -3.852
  315   2HD1  ILE  37          HD12      ILE  37  -0.086   3.021  -4.542
  316   3HD1  ILE  37          HD13      ILE  37  -0.429   3.341  -2.843
  317    H    MET  38           HN       MET  38   4.699  -0.481  -2.085
  318    HA   MET  38           HA       MET  38   4.725  -2.421  -4.259
  319   1HB   MET  38          HB2       MET  38   6.817  -1.869  -3.042
  320   2HB   MET  38          HB3       MET  38   6.102  -2.516  -1.576
  321   1HG   MET  38          HG3       MET  38   5.911  -4.714  -2.643
  322   2HG   MET  38          HG2       MET  38   6.708  -4.070  -4.072
  323   1HE   MET  38          HE1       MET  38   9.438  -6.328  -2.873
  324   2HE   MET  38          HE2       MET  38   8.035  -6.706  -1.879
  325   3HE   MET  38          HE3       MET  38   7.830  -6.310  -3.585
  326    H    PHE  39           HN       PHE  39   2.398  -2.648  -3.933
  327    HA   PHE  39           HA       PHE  39   1.739  -4.449  -1.728
  328   1HB   PHE  39          HB2       PHE  39  -0.527  -3.860  -1.974
  329   2HB   PHE  39          HB3       PHE  39   0.341  -2.351  -2.161
  330    HD1  PHE  39           HD1      PHE  39   0.913  -1.748  -4.714
  331    HD2  PHE  39           HD2      PHE  39  -2.223  -4.311  -3.400
  332    HE1  PHE  39           HE1      PHE  39  -0.303  -1.356  -6.824
  333    HE2  PHE  39           HE2      PHE  39  -3.446  -3.894  -5.475
  334    HZ   PHE  39           HZ       PHE  39  -2.494  -2.426  -7.199
  335    H    THR  40           HN       THR  40   0.641  -6.468  -2.232
  336    HA   THR  40           HA       THR  40   0.956  -7.263  -5.047
  337    HB   THR  40           HB       THR  40   1.604  -9.568  -4.099
  338    HG1  THR  40           HG1      THR  40   1.059  -8.961  -1.913
  339   1HG2  THR  40          HG21      THR  40   3.710  -7.543  -3.457
  340   2HG2  THR  40          HG22      THR  40   3.195  -7.809  -5.131
  341   3HG2  THR  40          HG23      THR  40   3.869  -9.150  -4.188
  342    H    GLU  41           HN       GLU  41  -0.771  -8.162  -5.904
  343    HA   GLU  41           HA       GLU  41  -3.157  -8.416  -4.404
  344   1HB   GLU  41          HB2       GLU  41  -4.033  -9.407  -6.574
  345   2HB   GLU  41          HB3       GLU  41  -3.428  -7.762  -6.639
  346   1HG   GLU  41          HG3       GLU  41  -1.411  -8.461  -7.697
  347   2HG   GLU  41          HG2       GLU  41  -1.801 -10.164  -7.426
  348    H    GLN  42           HN       GLN  42  -4.444 -10.239  -4.094
  349    HA   GLN  42           HA       GLN  42  -3.350 -12.900  -4.436
  350   1HB   GLN  42          HB2       GLN  42  -2.535 -12.160  -2.198
  351   2HB   GLN  42          HB3       GLN  42  -4.196 -11.835  -1.722
  352   1HG   GLN  42          HG3       GLN  42  -3.428 -13.943  -0.814
  353   2HG   GLN  42          HG2       GLN  42  -4.740 -14.190  -1.976
  354   1HE2  GLN  42          HE21      GLN  42  -4.347 -16.135  -2.806
  355   2HE2  GLN  42          HE22      GLN  42  -2.818 -16.708  -3.352
  356    H    ASP  43           HN       ASP  43  -5.127 -14.505  -4.226
  357    HA   ASP  43           HA       ASP  43  -7.764 -13.226  -4.260
  358   1HB   ASP  43          HB3       ASP  43  -6.698 -13.965  -6.557
  359   2HB   ASP  43          HB2       ASP  43  -7.264 -15.558  -6.054
  360    H    ALA  44           HN       ALA  44  -8.240 -13.835  -2.224
  361    HA   ALA  44           HA       ALA  44  -8.795 -16.687  -1.827
  362   1HB   ALA  44          HB1       ALA  44  -6.716 -15.458  -0.559
  363   2HB   ALA  44          HB2       ALA  44  -8.032 -15.219   0.599
  364   3HB   ALA  44          HB3       ALA  44  -7.607 -16.851   0.083
  365    H    SER  45           HN       SER  45 -10.466 -17.031  -0.135
  366    HA   SER  45           HA       SER  45 -12.466 -16.643   0.848
  367   1HB   SER  45          HB3       SER  45 -11.805 -13.702   0.610
  368   2HB   SER  45          HB2       SER  45 -13.076 -14.412   1.611
  369    HG   SER  45           HG       SER  45 -10.310 -15.033   1.873
  370    H    THR  46           HN       THR  46 -11.871 -16.594  -2.079
  371    HA   THR  46           HA       THR  46 -14.482 -15.613  -3.004
  372    HB   THR  46           HB       THR  46 -13.354 -15.128  -5.186
  373    HG1  THR  46           HG1      THR  46 -10.924 -14.917  -4.870
  374   1HG2  THR  46          HG21      THR  46 -11.796 -13.624  -3.141
  375   2HG2  THR  46          HG22      THR  46 -13.541 -13.400  -3.279
  376   3HG2  THR  46          HG23      THR  46 -12.497 -13.067  -4.666
  377    H    SER  47           HN       SER  47 -13.953 -16.779  -5.662
  378    HA   SER  47           HA       SER  47 -14.260 -19.597  -4.908
  379   1HB   SER  47          HB2       SER  47 -15.117 -18.289  -7.494
  380   2HB   SER  47          HB3       SER  47 -15.514 -19.915  -6.942
  381    HG   SER  47           HG       SER  47 -17.053 -17.960  -6.605
  382    HA   PRO  48           HA       PRO  48 -11.006 -19.862  -8.313
  383   1HB   PRO  48          HB3       PRO  48 -10.396 -17.800  -9.911
  384   2HB   PRO  48          HB2       PRO  48 -11.835 -18.780 -10.183
  385   1HG   PRO  48          HG3       PRO  48 -11.587 -16.040  -9.092
  386   2HG   PRO  48          HG2       PRO  48 -12.924 -16.789  -9.991
  387   1HD   PRO  48          HD3       PRO  48 -12.731 -16.430  -7.179
  388   2HD   PRO  48          HD2       PRO  48 -13.989 -17.309  -8.063
  389    HA   PRO  49           HA       PRO  49  -7.975 -17.903  -5.618
  390   1HB   PRO  49          HB2       PRO  49  -6.227 -19.906  -5.497
  391   2HB   PRO  49          HB3       PRO  49  -7.828 -20.046  -4.734
  392   1HG   PRO  49          HG2       PRO  49  -6.880 -21.153  -7.356
  393   2HG   PRO  49          HG3       PRO  49  -7.862 -21.939  -6.104
  394   1HD   PRO  49          HD2       PRO  49  -8.875 -20.749  -8.388
  395   2HD   PRO  49          HD3       PRO  49  -9.792 -21.012  -6.895
  396    H    SER  50           HN       SER  50  -5.384 -18.034  -5.756
  397    HA   SER  50           HA       SER  50  -3.467 -17.388  -6.769
  398   1HB   SER  50          HB2       SER  50  -4.002 -19.292  -8.349
  399   2HB   SER  50          HB3       SER  50  -4.704 -18.092  -9.431
  400    HG   SER  50           HG       SER  50  -2.530 -18.488  -9.968
  401    H    TYR  51           HN       TYR  51  -2.578 -15.525  -7.571
  402    HA   TYR  51           HA       TYR  51  -4.500 -13.410  -8.173
  403   1HB   TYR  51          HB2       TYR  51  -2.570 -11.882  -7.691
  404   2HB   TYR  51          HB3       TYR  51  -3.069 -12.888  -6.337
  405    HD1  TYR  51           HD1      TYR  51  -0.391 -12.116  -8.677
  406    HD2  TYR  51           HD2      TYR  51  -1.651 -14.746  -5.583
  407    HE1  TYR  51           HE1      TYR  51   1.928 -12.891  -8.404
  408    HE2  TYR  51           HE2      TYR  51   0.659 -15.528  -5.295
  409    HH   TYR  51           HH       TYR  51   2.919 -14.828  -5.729
  410    H    THR  52           HN       THR  52  -3.619 -11.651  -9.673
  411    HA   THR  52           HA       THR  52  -3.235 -12.900 -12.214
  412    HB   THR  52           HB       THR  52  -2.939  -9.953 -11.917
  413    HG1  THR  52           HG1      THR  52  -4.574 -10.108 -10.507
  414   1HG2  THR  52          HG21      THR  52  -4.455  -9.905 -13.807
  415   2HG2  THR  52          HG22      THR  52  -4.670 -11.649 -13.709
  416   3HG2  THR  52          HG23      THR  52  -3.092 -10.974 -14.139
  417    H    HIS  53           HN       HIS  53  -1.308 -10.353 -10.548
  418    HA   HIS  53           HA       HIS  53   1.164 -11.631 -11.369
  419   1HB   HIS  53          HB2       HIS  53   1.931  -9.938 -12.858
  420   2HB   HIS  53          HB3       HIS  53   0.304 -10.348 -13.388
  421    HD1  HIS  53           HD1      HIS  53  -1.375  -8.541 -11.531
  422    HD2  HIS  53           HD2      HIS  53   2.095  -7.315 -13.491
  423    HE1  HIS  53           HE1      HIS  53  -1.582  -6.049 -11.796
  424    HE2  HIS  53           HE2      HIS  53   0.613  -5.312 -12.790
  425    H    TYR  54           HN       TYR  54   2.897  -9.464 -11.085
  426    HA   TYR  54           HA       TYR  54   2.654  -8.962  -8.227
  427   1HB   TYR  54          HB2       TYR  54   4.865  -8.422 -10.216
  428   2HB   TYR  54          HB3       TYR  54   4.931  -7.879  -8.537
  429    HD1  TYR  54           HD1      TYR  54   4.153  -9.954  -6.873
  430    HD2  TYR  54           HD2      TYR  54   6.143 -10.285 -10.624
  431    HE1  TYR  54           HE1      TYR  54   5.075 -12.123  -6.188
  432    HE2  TYR  54           HE2      TYR  54   7.092 -12.447  -9.932
  433    HH   TYR  54           HH       TYR  54   7.617 -13.584  -7.640
  434    H    SER  55           HN       SER  55   1.440  -7.321  -7.631
  435    HA   SER  55           HA       SER  55   0.747  -5.147  -9.287
  436   1HB   SER  55          HB2       SER  55   0.537  -5.131  -6.289
  437   2HB   SER  55          HB3       SER  55  -0.571  -4.440  -7.484
  438    HG   SER  55           HG       SER  55  -1.510  -6.314  -7.718
  439    H    SER  56           HN       SER  56   1.391  -2.988  -9.212
  440    HA   SER  56           HA       SER  56   3.392  -2.061  -7.380
  441   1HB   SER  56          HB3       SER  56   4.785  -3.334  -8.999
  442   2HB   SER  56          HB2       SER  56   4.139  -2.345 -10.303
  443    HG   SER  56           HG       SER  56   5.587  -0.927  -9.845
  444    H    ILE  57           HN       ILE  57   3.222   0.109  -7.152
  445    HA   ILE  57           HA       ILE  57   1.950   1.670  -9.291
  446    HB   ILE  57           HB       ILE  57   1.109   1.595  -6.402
  447   1HG1  ILE  57          HG12      ILE  57  -0.333   1.297  -9.033
  448   2HG1  ILE  57          HG13      ILE  57  -0.068   0.053  -7.821
  449   1HG2  ILE  57          HG21      ILE  57   0.405   3.734  -8.404
  450   2HG2  ILE  57          HG22      ILE  57  -0.257   3.575  -6.787
  451   3HG2  ILE  57          HG23      ILE  57   1.445   3.952  -7.001
  452   1HD1  ILE  57          HD11      ILE  57  -1.859   2.436  -7.641
  453   2HD1  ILE  57          HD12      ILE  57  -2.312   0.730  -7.683
  454   3HD1  ILE  57          HD13      ILE  57  -1.483   1.382  -6.276
  455    H    ARG  58           HN       ARG  58   2.641   3.789  -9.466
  456    HA   ARG  58           HA       ARG  58   5.177   4.438  -8.159
  457   1HB   ARG  58          HB3       ARG  58   4.318   4.734 -10.731
  458   2HB   ARG  58          HB2       ARG  58   3.860   6.301 -10.082
  459   1HG   ARG  58          HG3       ARG  58   6.635   5.137 -10.163
  460   2HG   ARG  58          HG2       ARG  58   5.972   6.421 -11.178
  461   1HD   ARG  58          HD2       ARG  58   5.577   7.748  -9.084
  462   2HD   ARG  58          HD3       ARG  58   6.567   6.545  -8.238
  463    HE   ARG  58           HE       ARG  58   8.069   7.376 -10.409
  464   1HH1  ARG  58          HH11      ARG  58   7.540   8.555  -7.062
  465   2HH1  ARG  58          HH12      ARG  58   7.298  10.161  -7.707
  466   1HH2  ARG  58          HH22      ARG  58   9.123   9.928 -10.332
  467   2HH2  ARG  58          HH21      ARG  58   9.993   9.466  -8.898
  468    H    LEU  59           HN       LEU  59   5.395   6.650  -7.158
  469    HA   LEU  59           HA       LEU  59   2.823   7.519  -6.055
  470   1HB   LEU  59          HB2       LEU  59   5.606   7.914  -4.977
  471   2HB   LEU  59          HB3       LEU  59   4.141   8.518  -4.229
  472    HG   LEU  59           HG       LEU  59   4.807   5.606  -4.624
  473   1HD1  LEU  59          HD21      LEU  59   4.762   6.201  -1.911
  474   2HD1  LEU  59          HD22      LEU  59   6.184   5.864  -2.895
  475   3HD1  LEU  59          HD23      LEU  59   5.656   7.523  -2.638
  476   1HD2  LEU  59          HD11      LEU  59   2.354   6.532  -4.390
  477   2HD2  LEU  59          HD12      LEU  59   2.863   5.076  -3.553
  478   3HD2  LEU  59          HD13      LEU  59   2.786   6.607  -2.691
  479    H    ASP  60           HN       ASP  60   3.528   8.200  -8.626
  480    HA   ASP  60           HA       ASP  60   4.636  10.900  -8.449
  481   1HB   ASP  60          HB3       ASP  60   5.639   9.245 -10.027
  482   2HB   ASP  60          HB2       ASP  60   4.118   9.191 -10.894
  483    H    LYS  61           HN       LYS  61   2.299   9.616 -10.825
  484    HA   LYS  61           HA       LYS  61   0.544  11.852 -10.062
  485   1HB   LYS  61          HB2       LYS  61   0.528  10.280 -12.643
  486   2HB   LYS  61          HB3       LYS  61  -0.458  11.689 -12.270
  487   1HG   LYS  61          HG3       LYS  61   1.446  13.097 -12.229
  488   2HG   LYS  61          HG2       LYS  61   2.543  11.725 -12.349
  489   1HD   LYS  61          HD2       LYS  61   1.493  11.200 -14.561
  490   2HD   LYS  61          HD3       LYS  61   0.629  12.736 -14.441
  491   1HE   LYS  61          HE2       LYS  61   2.671  12.946 -15.768
  492   2HE   LYS  61          HE3       LYS  61   2.722  13.940 -14.316
  493   1HZ   LYS  61          HZ1       LYS  61   4.807  12.808 -14.660
  494   2HZ   LYS  61          HZ2       LYS  61   4.030  11.294 -14.679
  495   3HZ   LYS  61          HZ3       LYS  61   4.068  12.223 -13.254
  496    H    TYR  62           HN       TYR  62  -0.162  10.481  -8.257
  497    HA   TYR  62           HA       TYR  62  -2.436   8.864  -9.126
  498   1HB   TYR  62          HB3       TYR  62  -1.935   7.025  -7.798
  499   2HB   TYR  62          HB2       TYR  62  -0.322   7.510  -8.330
  500    HD1  TYR  62           HD1      TYR  62  -2.483   6.955  -5.512
  501    HD2  TYR  62           HD2      TYR  62   1.123   8.819  -6.766
  502    HE1  TYR  62           HE1      TYR  62  -1.750   7.098  -3.158
  503    HE2  TYR  62           HE2      TYR  62   1.879   8.956  -4.426
  504    HH   TYR  62           HH       TYR  62   1.446   7.799  -2.274
  505    H    ASN  63           HN       ASN  63  -4.271   9.543  -8.179
  506    HA   ASN  63           HA       ASN  63  -4.004  11.611  -6.143
  507   1HB   ASN  63          HB3       ASN  63  -5.392  12.074  -8.111
  508   2HB   ASN  63          HB2       ASN  63  -6.434  10.727  -7.688
  509   1HD2  ASN  63          HD21      ASN  63  -8.258  11.399  -6.887
  510   2HD2  ASN  63          HD22      ASN  63  -8.506  12.807  -5.917
  511    H    ILE  64           HN       ILE  64  -3.707  10.673  -4.278
  512    HA   ILE  64           HA       ILE  64  -5.535   8.561  -3.431
  513    HB   ILE  64           HB       ILE  64  -3.002   8.270  -3.339
  514   1HG1  ILE  64          HG13      ILE  64  -4.851   6.984  -2.024
  515   2HG1  ILE  64          HG12      ILE  64  -3.152   6.766  -1.615
  516   1HG2  ILE  64          HG21      ILE  64  -2.090  10.166  -2.441
  517   2HG2  ILE  64          HG22      ILE  64  -3.351  10.329  -1.219
  518   3HG2  ILE  64          HG23      ILE  64  -2.104   9.084  -1.049
  519   1HD1  ILE  64          HD11      ILE  64  -5.236   7.452   0.094
  520   2HD1  ILE  64          HD12      ILE  64  -3.506   7.395   0.447
  521   3HD1  ILE  64          HD13      ILE  64  -4.248   8.904  -0.078
  522    H    ARG  65           HN       ARG  65  -6.892   8.763  -1.800
  523    HA   ARG  65           HA       ARG  65  -6.747  11.053  -0.031
  524   1HB   ARG  65          HB2       ARG  65  -9.281  11.340  -0.309
  525   2HB   ARG  65          HB3       ARG  65  -8.227  12.043  -1.527
  526   1HG   ARG  65          HG3       ARG  65  -9.073  10.767  -3.161
  527   2HG   ARG  65          HG2       ARG  65  -9.083   9.315  -2.145
  528   1HD   ARG  65          HD3       ARG  65 -11.347  10.135  -2.905
  529   2HD   ARG  65          HD2       ARG  65 -11.160   9.919  -1.162
  530    HE   ARG  65           HE       ARG  65 -10.534  12.560  -1.694
  531   1HH1  ARG  65          HH12      ARG  65 -13.795  11.603  -3.087
  532   2HH1  ARG  65          HH11      ARG  65 -14.090  11.049  -1.467
  533   1HH2  ARG  65          HH22      ARG  65 -12.827  13.878  -0.437
  534   2HH2  ARG  65          HH21      ARG  65 -12.908  14.252  -2.138
  535    H    GLN  66           HN       GLN  66  -7.426  10.632   1.953
  536    HA   GLN  66           HA       GLN  66  -8.556   7.959   2.409
  537   1HB   GLN  66          HB3       GLN  66  -7.353   8.436   4.764
  538   2HB   GLN  66          HB2       GLN  66  -6.560   7.626   3.425
  539   1HG   GLN  66          HG3       GLN  66  -5.054   9.235   4.314
  540   2HG   GLN  66          HG2       GLN  66  -5.604   9.804   2.741
  541   1HE2  GLN  66          HE21      GLN  66  -5.919  11.886   2.695
  542   2HE2  GLN  66          HE22      GLN  66  -6.280  12.880   4.060
  543    H    HIS  67           HN       HIS  67 -10.403   7.835   3.507
  544    HA   HIS  67           HA       HIS  67 -11.880  10.166   4.095
  545   1HB   HIS  67          HB3       HIS  67 -12.282   7.241   4.590
  546   2HB   HIS  67          HB2       HIS  67 -13.329   8.385   5.415
  547    HD1  HIS  67           HD1      HIS  67 -14.721  10.027   3.805
  548    HD2  HIS  67           HD2      HIS  67 -12.969   6.731   1.979
  549    HE1  HIS  67           HE1      HIS  67 -15.825   9.830   1.555
  550    HE2  HIS  67           HE2      HIS  67 -14.698   7.880   0.430
  551    H    THR  68           HN       THR  68 -11.394  11.538   5.609
  552    HA   THR  68           HA       THR  68  -9.864  10.798   7.919
  553    HB   THR  68           HB       THR  68 -11.083  13.497   7.625
  554    HG1  THR  68           HG1      THR  68  -9.257  12.313   5.822
  555   1HG2  THR  68          HG21      THR  68  -9.263  12.749   9.324
  556   2HG2  THR  68          HG22      THR  68  -9.121  14.300   8.500
  557   3HG2  THR  68          HG23      THR  68  -8.181  12.923   7.947
  558    H    THR  69           HN       THR  69 -11.156  12.950   9.567
  559    HA   THR  69           HA       THR  69 -12.502  13.034  11.386
  560    HB   THR  69           HB       THR  69 -14.612  11.834   9.590
  561    HG1  THR  69           HG1      THR  69 -13.228  14.232   9.414
  562   1HG2  THR  69          HG21      THR  69 -15.535  14.108  10.934
  563   2HG2  THR  69          HG22      THR  69 -14.693  13.140  12.142
  564   3HG2  THR  69          HG23      THR  69 -16.011  12.435  11.209
  565    H    ASP  70           HN       ASP  70 -14.847  10.727  11.123
  566    HA   ASP  70           HA       ASP  70 -13.317   8.872  12.816
  567   1HB   ASP  70          HB3       ASP  70 -15.537  10.038  13.549
  568   2HB   ASP  70          HB2       ASP  70 -16.317   8.855  12.501
  569    H    GLU  71           HN       GLU  71 -13.957   9.273   9.728
  570    HA   GLU  71           HA       GLU  71 -14.963   6.672   9.012
  571   1HB   GLU  71          HB2       GLU  71 -13.597   8.543   7.091
  572   2HB   GLU  71          HB3       GLU  71 -14.914   7.417   6.782
  573   1HG   GLU  71          HG2       GLU  71 -16.401   8.850   8.136
  574   2HG   GLU  71          HG3       GLU  71 -15.080   9.999   8.307
  575    H    ASP  72           HN       ASP  72 -13.552   5.406   7.311
  576    HA   ASP  72           HA       ASP  72 -10.704   5.600   7.745
  577   1HB   ASP  72          HB2       ASP  72 -11.650   4.454   9.798
  578   2HB   ASP  72          HB3       ASP  72 -12.096   3.114   8.748
  579    H    THR  73           HN       THR  73 -10.306   5.558   5.618
  580    HA   THR  73           HA       THR  73 -10.415   3.088   4.201
  581    HB   THR  73           HB       THR  73 -12.135   5.348   3.151
  582    HG1  THR  73           HG1      THR  73 -12.775   3.407   4.800
  583   1HG2  THR  73          HG21      THR  73 -12.433   2.780   1.847
  584   2HG2  THR  73          HG22      THR  73 -10.812   3.460   1.659
  585   3HG2  THR  73          HG23      THR  73 -12.225   4.390   1.159
  586    H    ILE  74           HN       ILE  74  -8.943   3.067   2.515
  587    HA   ILE  74           HA       ILE  74  -7.566   5.624   1.968
  588    HB   ILE  74           HB       ILE  74  -6.416   2.840   1.678
  589   1HG1  ILE  74          HG13      ILE  74  -6.704   3.470   4.048
  590   2HG1  ILE  74          HG12      ILE  74  -5.003   3.374   3.598
  591   1HG2  ILE  74          HG21      ILE  74  -4.847   5.386   1.613
  592   2HG2  ILE  74          HG22      ILE  74  -4.434   3.806   0.960
  593   3HG2  ILE  74          HG23      ILE  74  -5.664   4.796   0.160
  594   1HD1  ILE  74          HD11      ILE  74  -6.505   5.603   4.649
  595   2HD1  ILE  74          HD12      ILE  74  -4.761   5.365   4.524
  596   3HD1  ILE  74          HD13      ILE  74  -5.659   6.020   3.157
  597    H    VAL  75           HN       VAL  75  -8.267   6.395   0.082
  598    HA   VAL  75           HA       VAL  75  -8.904   4.503  -2.083
  599    HB   VAL  75           HB       VAL  75  -9.872   7.311  -1.538
  600   1HG1  VAL  75          HG21      VAL  75 -11.320   6.257  -3.687
  601   2HG1  VAL  75          HG22      VAL  75 -10.189   7.617  -3.702
  602   3HG1  VAL  75          HG23      VAL  75  -9.614   5.984  -4.060
  603   1HG2  VAL  75          HG11      VAL  75 -11.993   5.538  -2.007
  604   2HG2  VAL  75          HG12      VAL  75 -10.891   4.718  -0.919
  605   3HG2  VAL  75          HG13      VAL  75 -11.542   6.298  -0.496
  606    H    LEU  76           HN       LEU  76  -7.528   4.473  -3.826
  607    HA   LEU  76           HA       LEU  76  -6.014   6.936  -4.322
  608   1HB   LEU  76          HB3       LEU  76  -4.128   5.558  -5.168
  609   2HB   LEU  76          HB2       LEU  76  -4.379   5.500  -3.433
  610    HG   LEU  76           HG       LEU  76  -5.661   3.389  -5.019
  611   1HD1  LEU  76          HD21      LEU  76  -2.685   3.629  -4.650
  612   2HD1  LEU  76          HD22      LEU  76  -3.498   2.111  -5.037
  613   3HD1  LEU  76          HD23      LEU  76  -3.572   3.472  -6.169
  614   1HD2  LEU  76          HD11      LEU  76  -4.681   2.034  -3.077
  615   2HD2  LEU  76          HD12      LEU  76  -4.280   3.600  -2.368
  616   3HD2  LEU  76          HD13      LEU  76  -5.963   3.189  -2.702
  617    H    GLN  77           HN       GLN  77  -6.554   7.797  -6.104
  618    HA   GLN  77           HA       GLN  77  -7.920   6.200  -8.140
  619   1HB   GLN  77          HB3       GLN  77  -8.969   8.210  -7.061
  620   2HB   GLN  77          HB2       GLN  77  -7.772   9.196  -7.877
  621   1HG   GLN  77          HG3       GLN  77  -8.605   8.343 -10.045
  622   2HG   GLN  77          HG2       GLN  77  -9.875   7.476  -9.176
  623   1HE2  GLN  77          HE21      GLN  77 -11.707   8.466  -9.070
  624   2HE2  GLN  77          HE22      GLN  77 -11.951  10.121  -9.491
  625    HA   PRO  78           HA       PRO  78  -4.502   6.647 -10.964
  626   1HB   PRO  78          HB2       PRO  78  -5.654   5.486 -13.081
  627   2HB   PRO  78          HB3       PRO  78  -5.208   4.551 -11.650
  628   1HG   PRO  78          HG3       PRO  78  -7.892   5.575 -12.485
  629   2HG   PRO  78          HG2       PRO  78  -7.471   4.014 -11.785
  630   1HD   PRO  78          HD2       PRO  78  -8.514   6.123 -10.360
  631   2HD   PRO  78          HD3       PRO  78  -7.545   4.819  -9.649
  632    H    GLN  79           HN       GLN  79  -4.201   8.823 -11.540
  633    HA   GLN  79           HA       GLN  79  -6.243  10.104 -13.155
  634   1HB   GLN  79          HB2       GLN  79  -4.843  12.128 -13.006
  635   2HB   GLN  79          HB3       GLN  79  -5.261  11.472 -11.429
  636   1HG   GLN  79          HG3       GLN  79  -3.045  10.486 -11.254
  637   2HG   GLN  79          HG2       GLN  79  -2.626  11.161 -12.838
  638   1HE2  GLN  79          HE21      GLN  79  -2.484  11.666  -9.564
  639   2HE2  GLN  79          HE22      GLN  79  -2.008  13.325  -9.610
  640    H    GLU  80           HN       GLU  80  -3.928   7.953 -13.840
  641    HA   GLU  80           HA       GLU  80  -3.326   9.146 -16.461
  642   1HB   GLU  80          HB3       GLU  80  -1.842   6.976 -14.951
  643   2HB   GLU  80          HB2       GLU  80  -1.426   7.550 -16.557
  644   1HG   GLU  80          HG3       GLU  80  -0.843   9.725 -15.660
  645   2HG   GLU  80          HG2       GLU  80  -1.363   9.214 -14.047
  646    HA   PRO  81           HA       PRO  81  -6.011   5.960 -18.068
  647   1HB   PRO  81          HB3       PRO  81  -5.028   5.917 -20.627
  648   2HB   PRO  81          HB2       PRO  81  -6.178   7.117 -20.034
  649   1HG   PRO  81          HG3       PRO  81  -3.215   7.328 -20.382
  650   2HG   PRO  81          HG2       PRO  81  -4.473   8.530 -20.703
  651   1HD   PRO  81          HD3       PRO  81  -2.923   8.607 -18.497
  652   2HD   PRO  81          HD2       PRO  81  -4.611   9.174 -18.499
  653    H    GLY  82           HN       GLY  82  -5.462   4.048 -17.166
  654   1HA   GLY  82          HA1       GLY  82  -4.429   1.920 -18.308
  655   2HA   GLY  82          HA2       GLY  82  -2.936   2.759 -17.899
  656    H    LEU  83           HN       LEU  83  -3.394   3.814 -15.498
  657    HA   LEU  83           HA       LEU  83  -3.046   1.672 -13.741
  658   1HB   LEU  83          HB2       LEU  83  -2.342   4.140 -13.519
  659   2HB   LEU  83          HB3       LEU  83  -3.946   4.424 -12.908
  660    HG   LEU  83           HG       LEU  83  -3.482   2.775 -11.072
  661   1HD1  LEU  83          HD11      LEU  83  -0.695   2.810 -11.016
  662   2HD1  LEU  83          HD12      LEU  83  -1.743   1.420 -11.314
  663   3HD1  LEU  83          HD13      LEU  83  -1.111   2.370 -12.668
  664   1HD2  LEU  83          HD21      LEU  83  -2.153   4.283  -9.760
  665   2HD2  LEU  83          HD22      LEU  83  -1.548   5.085 -11.214
  666   3HD2  LEU  83          HD23      LEU  83  -3.254   5.217 -10.778
  667    HA   PRO  84           HA       PRO  84  -7.274   0.533 -13.012
  668   1HB   PRO  84          HB2       PRO  84  -6.927  -1.056 -10.855
  669   2HB   PRO  84          HB3       PRO  84  -6.422  -1.533 -12.477
  670   1HG   PRO  84          HG2       PRO  84  -4.788  -0.490 -10.219
  671   2HG   PRO  84          HG3       PRO  84  -4.399  -1.743 -11.383
  672   1HD   PRO  84          HD2       PRO  84  -3.475   0.831 -11.535
  673   2HD   PRO  84          HD3       PRO  84  -3.645  -0.252 -12.930
  674    H    SER  85           HN       SER  85  -8.789   0.251 -11.066
  675    HA   SER  85           HA       SER  85  -8.663   2.705  -9.464
  676   1HB   SER  85          HB2       SER  85 -10.994   0.813  -9.940
  677   2HB   SER  85          HB3       SER  85 -11.071   2.361  -9.102
  678    HG   SER  85           HG       SER  85 -10.145   2.152 -11.769
  679    H    PHE  86           HN       PHE  86  -7.956   2.493  -7.413
  680    HA   PHE  86           HA       PHE  86  -8.261  -0.142  -6.145
  681   1HB   PHE  86          HB2       PHE  86  -6.028   0.260  -7.066
  682   2HB   PHE  86          HB3       PHE  86  -5.910   1.759  -6.157
  683    HD1  PHE  86           HD1      PHE  86  -3.710   0.703  -5.590
  684    HD2  PHE  86           HD2      PHE  86  -7.415  -0.836  -4.220
  685    HE1  PHE  86           HE1      PHE  86  -2.541  -0.453  -3.773
  686    HE2  PHE  86           HE2      PHE  86  -6.253  -1.993  -2.386
  687    HZ   PHE  86           HZ       PHE  86  -3.813  -1.780  -2.168
  688    H    ARG  87           HN       ARG  87  -9.134  -0.150  -4.196
  689    HA   ARG  87           HA       ARG  87  -8.875   2.174  -2.458
  690   1HB   ARG  87          HB3       ARG  87 -11.221   2.140  -1.786
  691   2HB   ARG  87          HB2       ARG  87 -11.089   2.487  -3.498
  692   1HG   ARG  87          HG2       ARG  87 -11.533  -0.321  -2.655
  693   2HG   ARG  87          HG3       ARG  87 -12.871   0.818  -2.544
  694   1HD   ARG  87          HD3       ARG  87 -11.256   0.387  -5.048
  695   2HD   ARG  87          HD2       ARG  87 -12.739  -0.492  -4.682
  696    HE   ARG  87           HE       ARG  87 -13.113   2.340  -4.527
  697   1HH1  ARG  87          HH12      ARG  87 -14.288  -0.365  -6.520
  698   2HH1  ARG  87          HH11      ARG  87 -13.378   0.238  -7.876
  699   1HH2  ARG  87          HH21      ARG  87 -15.074   2.829  -6.241
  700   2HH2  ARG  87          HH22      ARG  87 -13.971   3.013  -7.590
  701    H    ILE  88           HN       ILE  88  -8.711   1.633  -0.321
  702    HA   ILE  88           HA       ILE  88  -8.961  -1.219   0.354
  703    HB   ILE  88           HB       ILE  88  -6.939  -0.719   1.968
  704   1HG1  ILE  88          HG12      ILE  88  -6.399   1.140  -0.362
  705   2HG1  ILE  88          HG13      ILE  88  -6.683   1.631   1.306
  706   1HG2  ILE  88          HG21      ILE  88  -7.310  -2.152  -0.320
  707   2HG2  ILE  88          HG22      ILE  88  -5.896  -1.178  -0.713
  708   3HG2  ILE  88          HG23      ILE  88  -5.880  -2.212   0.711
  709   1HD1  ILE  88          HD11      ILE  88  -4.600  -0.073   1.610
  710   2HD1  ILE  88          HD12      ILE  88  -4.257   0.616   0.023
  711   3HD1  ILE  88          HD13      ILE  88  -4.452   1.670   1.416
  712    H    LYS  89           HN       LYS  89 -10.092  -1.637   2.113
  713    HA   LYS  89           HA       LYS  89 -10.385   0.435   4.163
  714   1HB   LYS  89          HB3       LYS  89 -12.800   0.341   4.131
  715   2HB   LYS  89          HB2       LYS  89 -12.245   0.711   2.508
  716   1HG   LYS  89          HG2       LYS  89 -13.585  -0.912   1.807
  717   2HG   LYS  89          HG3       LYS  89 -12.426  -2.041   2.510
  718   1HD   LYS  89          HD2       LYS  89 -14.684  -2.522   3.284
  719   2HD   LYS  89          HD3       LYS  89 -13.641  -2.029   4.617
  720   1HE   LYS  89          HE3       LYS  89 -14.569   0.236   4.476
  721   2HE   LYS  89          HE2       LYS  89 -15.627  -0.277   3.164
  722   1HZ   LYS  89          HZ1       LYS  89 -17.003  -0.462   4.964
  723   2HZ   LYS  89          HZ2       LYS  89 -15.777  -0.912   6.031
  724   3HZ   LYS  89          HZ3       LYS  89 -16.369  -2.043   4.922
  725    HA   PRO  90           HA       PRO  90 -10.196  -3.088   6.836
  726   1HB   PRO  90          HB3       PRO  90 -11.418  -2.155   9.058
  727   2HB   PRO  90          HB2       PRO  90  -9.832  -1.577   8.544
  728   1HG   PRO  90          HG2       PRO  90 -12.522  -0.307   8.214
  729   2HG   PRO  90          HG3       PRO  90 -10.969   0.442   8.625
  730   1HD   PRO  90          HD2       PRO  90 -12.056   0.487   6.114
  731   2HD   PRO  90          HD3       PRO  90 -10.327   0.603   6.436
  732    H    LYS  91           HN       LYS  91 -11.713  -4.186   5.333
  733    HA   LYS  91           HA       LYS  91 -14.424  -4.232   5.366
  734   1HB   LYS  91          HB2       LYS  91 -12.795  -5.650   3.992
  735   2HB   LYS  91          HB3       LYS  91 -12.865  -6.805   5.311
  736   1HG   LYS  91          HG3       LYS  91 -15.288  -5.862   3.799
  737   2HG   LYS  91          HG2       LYS  91 -14.362  -7.304   3.380
  738   1HD   LYS  91          HD3       LYS  91 -14.765  -8.079   5.748
  739   2HD   LYS  91          HD2       LYS  91 -15.944  -6.776   5.878
  740   1HE   LYS  91          HE2       LYS  91 -17.151  -8.730   5.295
  741   2HE   LYS  91          HE3       LYS  91 -17.063  -7.745   3.834
  742   1HZ   LYS  91          HZ1       LYS  91 -16.214 -10.392   4.186
  743   2HZ   LYS  91          HZ2       LYS  91 -14.822  -9.454   3.908
  744   3HZ   LYS  91          HZ3       LYS  91 -16.105  -9.452   2.783
  745    H    ASP  92           HN       ASP  92 -12.670  -6.727   7.247
  746    HA   ASP  92           HA       ASP  92 -14.540  -6.276   9.447
  747   1HB   ASP  92          HB3       ASP  92 -15.492  -7.990   7.866
  748   2HB   ASP  92          HB2       ASP  92 -14.121  -9.019   8.259
  749    H    PHE  93           HN       PHE  93 -13.408  -6.147  11.247
  750    HA   PHE  93           HA       PHE  93 -11.622  -8.123  12.139
  751   1HB   PHE  93          HB2       PHE  93 -10.294  -6.543  10.380
  752   2HB   PHE  93          HB3       PHE  93 -10.053  -5.623  11.862
  753    HD1  PHE  93           HD1      PHE  93  -9.919  -9.168  10.699
  754    HD2  PHE  93           HD2      PHE  93  -8.181  -6.110  13.111
  755    HE1  PHE  93           HE1      PHE  93  -8.137 -10.721  11.372
  756    HE2  PHE  93           HE2      PHE  93  -6.391  -7.671  13.773
  757    HZ   PHE  93           HZ       PHE  93  -6.373  -9.973  12.908
  758    H    GLU  94           HN       GLU  94 -10.912  -7.728  14.295
  759    HA   GLU  94           HA       GLU  94 -12.720  -5.989  15.705
  760   1HB   GLU  94          HB2       GLU  94 -12.007  -8.366  16.375
  761   2HB   GLU  94          HB3       GLU  94 -10.525  -7.626  16.955
  762   1HG   GLU  94          HG2       GLU  94 -13.295  -6.916  17.893
  763   2HG   GLU  94          HG3       GLU  94 -12.180  -8.003  18.724
  764    H    THR  95           HN       THR  95  -9.294  -6.429  16.571
  765    HA   THR  95           HA       THR  95  -9.079  -3.763  17.448
  766    HB   THR  95           HB       THR  95  -6.769  -5.569  16.785
  767    HG1  THR  95           HG1      THR  95  -8.743  -5.807  18.707
  768   1HG2  THR  95          HG21      THR  95  -5.755  -4.487  18.772
  769   2HG2  THR  95          HG22      THR  95  -7.131  -3.395  18.826
  770   3HG2  THR  95          HG23      THR  95  -6.052  -3.370  17.435
  771    H    SER  96           HN       SER  96  -8.338  -5.350  14.565
  772    HA   SER  96           HA       SER  96  -8.106  -4.630  12.417
  773   1HB   SER  96          HB3       SER  96  -8.717  -2.216  13.838
  774   2HB   SER  96          HB2       SER  96  -7.540  -1.932  12.545
  775    HG   SER  96           HG       SER  96 -10.224  -2.571  12.424
  776    H    GLU  97           HN       GLU  97  -5.927  -5.737  13.481
  777    HA   GLU  97           HA       GLU  97  -3.752  -5.971  13.104
  778   1HB   GLU  97          HB2       GLU  97  -4.488  -3.796  11.306
  779   2HB   GLU  97          HB3       GLU  97  -2.775  -3.927  11.657
  780   1HG   GLU  97          HG3       GLU  97  -3.653  -5.172   9.631
  781   2HG   GLU  97          HG2       GLU  97  -2.629  -6.077  10.748
  782    H    TYR  98           HN       TYR  98  -4.636  -2.642  14.154
  783    HA   TYR  98           HA       TYR  98  -3.908  -1.512  15.907
  784   1HB   TYR  98          HB3       TYR  98  -2.707  -2.637  17.412
  785   2HB   TYR  98          HB2       TYR  98  -2.420  -3.880  16.208
  786    HD1  TYR  98           HD1      TYR  98  -1.039  -0.750  17.637
  787    HD2  TYR  98           HD2      TYR  98  -0.277  -4.212  15.291
  788    HE1  TYR  98           HE1      TYR  98   1.372  -0.260  17.704
  789    HE2  TYR  98           HE2      TYR  98   2.136  -3.741  15.369
  790    HH   TYR  98           HH       TYR  98   3.734  -2.422  16.162
  791    H    VAL  99           HN       VAL  99  -1.848  -2.584  13.301
  792    HA   VAL  99           HA       VAL  99  -0.498  -0.017  13.091
  793    HB   VAL  99           HB       VAL  99   0.920  -0.913  11.551
  794   1HG1  VAL  99          HG11      VAL  99   1.696  -2.460  12.916
  795   2HG1  VAL  99          HG12      VAL  99   0.082  -2.846  13.502
  796   3HG1  VAL  99          HG13      VAL  99   0.698  -3.633  12.059
  797   1HG2  VAL  99          HG21      VAL  99   0.445  -2.423   9.817
  798   2HG2  VAL  99          HG22      VAL  99  -1.022  -3.006  10.614
  799   3HG2  VAL  99          HG23      VAL  99  -0.981  -1.371   9.934
  800    H    ARG 100           HN       ARG 100  -3.185  -1.703  11.668
  801    HA   ARG 100           HA       ARG 100  -3.450  -0.366   9.263
  802   1HB   ARG 100          HB3       ARG 100  -4.737  -2.383  10.157
  803   2HB   ARG 100          HB2       ARG 100  -5.820  -1.214  10.903
  804   1HG   ARG 100          HG2       ARG 100  -5.997  -0.206   8.547
  805   2HG   ARG 100          HG3       ARG 100  -5.327  -1.743   8.010
  806   1HD   ARG 100          HD2       ARG 100  -7.728  -1.868   7.915
  807   2HD   ARG 100          HD3       ARG 100  -7.145  -2.902   9.226
  808    HE   ARG 100           HE       ARG 100  -8.506  -1.708  10.583
  809   1HH1  ARG 100          HH12      ARG 100  -7.044   0.716   8.417
  810   2HH1  ARG 100          HH11      ARG 100  -8.471   1.709   8.480
  811   1HH2  ARG 100          HH21      ARG 100  -9.686   0.101  11.349
  812   2HH2  ARG 100          HH22      ARG 100  -9.460   1.650  10.584
  813    H    LYS 101           HN       LYS 101  -5.085   0.527  12.353
  814    HA   LYS 101           HA       LYS 101  -6.148   2.902  11.176
  815   1HB   LYS 101          HB3       LYS 101  -5.964   1.853  13.978
  816   2HB   LYS 101          HB2       LYS 101  -6.446   3.516  13.684
  817   1HG   LYS 101          HG2       LYS 101  -8.182   2.558  12.108
  818   2HG   LYS 101          HG3       LYS 101  -7.842   1.005  12.869
  819   1HD   LYS 101          HD2       LYS 101  -9.554   1.718  14.217
  820   2HD   LYS 101          HD3       LYS 101  -8.205   2.478  15.062
  821   1HE   LYS 101          HE3       LYS 101  -9.987   4.075  14.782
  822   2HE   LYS 101          HE2       LYS 101  -8.600   4.539  13.795
  823   1HZ   LYS 101          HZ1       LYS 101 -11.004   3.108  12.806
  824   2HZ   LYS 101          HZ2       LYS 101  -9.709   3.646  11.854
  825   3HZ   LYS 101          HZ3       LYS 101 -10.712   4.772  12.619
  826    H    ALA 102           HN       ALA 102  -3.160   2.049  12.518
  827    HA   ALA 102           HA       ALA 102  -2.341   4.686  13.286
  828   1HB   ALA 102          HB1       ALA 102  -1.180   3.140  14.507
  829   2HB   ALA 102          HB2       ALA 102  -1.040   2.013  13.160
  830   3HB   ALA 102          HB3       ALA 102  -0.021   3.447  13.218
  831    H    TRP 103           HN       TRP 103  -1.567   2.489  10.570
  832    HA   TRP 103           HA       TRP 103   0.055   4.470   9.308
  833   1HB   TRP 103          HB2       TRP 103   0.609   2.915   7.751
  834   2HB   TRP 103          HB3       TRP 103   0.197   1.904   9.119
  835    HD1  TRP 103           HD1      TRP 103  -2.748   1.202   8.809
  836    HE1  TRP 103           HE1      TRP 103  -3.631  -0.053   6.733
  837    HE3  TRP 103           HE3      TRP 103   1.034   2.248   5.553
  838    HZ2  TRP 103           HZ2      TRP 103  -2.784  -0.549   4.066
  839    HZ3  TRP 103           HZ3      TRP 103   0.950   1.310   3.289
  840    HH2  TRP 103           HH2      TRP 103  -0.916  -0.050   2.553
  841    H    LEU 104           HN       LEU 104  -3.167   4.124   9.664
  842    HA   LEU 104           HA       LEU 104  -4.167   5.129   7.182
  843   1HB   LEU 104          HB2       LEU 104  -5.212   4.234   9.632
  844   2HB   LEU 104          HB3       LEU 104  -5.673   5.919   9.519
  845    HG   LEU 104           HG       LEU 104  -7.435   4.419   8.675
  846   1HD1  LEU 104          HD21      LEU 104  -7.821   5.574   6.557
  847   2HD1  LEU 104          HD22      LEU 104  -7.237   6.681   7.799
  848   3HD1  LEU 104          HD23      LEU 104  -6.140   6.114   6.542
  849   1HD2  LEU 104          HD11      LEU 104  -7.139   3.101   6.716
  850   2HD2  LEU 104          HD12      LEU 104  -5.490   3.709   6.492
  851   3HD2  LEU 104          HD13      LEU 104  -5.874   2.674   7.869
  852    H    ARG 105           HN       ARG 105  -2.891   6.397  10.142
  853    HA   ARG 105           HA       ARG 105  -3.420   9.179   9.536
  854   1HB   ARG 105          HB2       ARG 105  -2.609   7.640  11.832
  855   2HB   ARG 105          HB3       ARG 105  -1.520   8.994  11.591
  856   1HG   ARG 105          HG3       ARG 105  -3.453   9.445  13.111
  857   2HG   ARG 105          HG2       ARG 105  -3.285  10.565  11.758
  858   1HD   ARG 105          HD3       ARG 105  -5.077   8.174  11.552
  859   2HD   ARG 105          HD2       ARG 105  -5.631   9.652  12.334
  860    HE   ARG 105           HE       ARG 105  -4.583  10.394   9.881
  861   1HH1  ARG 105          HH11      ARG 105  -6.972   7.959  10.655
  862   2HH1  ARG 105          HH12      ARG 105  -8.234   8.735   9.738
  863   1HH2  ARG 105          HH22      ARG 105  -6.513  11.238   8.410
  864   2HH2  ARG 105          HH21      ARG 105  -6.894   9.702   7.677
  865    H    ASP 106           HN       ASP 106  -0.842   6.867   9.216
  866    HA   ASP 106           HA       ASP 106   1.269   8.696   8.690
  867   1HB   ASP 106          HB2       ASP 106   0.855   5.769   8.101
  868   2HB   ASP 106          HB3       ASP 106   2.237   6.618   7.433
  869    H    ILE 107           HN       ILE 107  -0.827   6.746   6.625
  870    HA   ILE 107           HA       ILE 107   0.011   7.701   4.145
  871    HB   ILE 107           HB       ILE 107  -2.572   6.512   5.101
  872   1HG1  ILE 107          HG13      ILE 107  -0.471   5.456   3.209
  873   2HG1  ILE 107          HG12      ILE 107  -0.508   5.109   4.934
  874   1HG2  ILE 107          HG21      ILE 107  -3.334   6.320   2.821
  875   2HG2  ILE 107          HG22      ILE 107  -3.117   8.012   3.266
  876   3HG2  ILE 107          HG23      ILE 107  -1.920   7.210   2.254
  877   1HD1  ILE 107          HD11      ILE 107  -1.455   3.251   3.889
  878   2HD1  ILE 107          HD12      ILE 107  -2.826   4.160   4.524
  879   3HD1  ILE 107          HD13      ILE 107  -2.435   4.247   2.808
  880    H    ALA 108           HN       ALA 108  -2.325   9.034   6.428
  881    HA   ALA 108           HA       ALA 108  -3.604  10.855   4.738
  882   1HB   ALA 108          HB1       ALA 108  -3.012  11.238   7.663
  883   2HB   ALA 108          HB2       ALA 108  -4.276  12.028   6.731
  884   3HB   ALA 108          HB3       ALA 108  -4.352  10.298   7.030
  885    H    GLU 109           HN       GLU 109  -0.798  11.339   6.866
  886    HA   GLU 109           HA       GLU 109  -0.309  13.974   5.814
  887   1HB   GLU 109          HB2       GLU 109   1.367  12.251   7.653
  888   2HB   GLU 109          HB3       GLU 109   1.628  13.961   7.324
  889   1HG   GLU 109          HG2       GLU 109  -0.869  12.828   8.568
  890   2HG   GLU 109          HG3       GLU 109   0.490  13.494   9.477
  891    H    GLU 110           HN       GLU 110   1.694  11.059   5.984
  892    HA   GLU 110           HA       GLU 110   3.443  10.304   4.834
  893   1HB   GLU 110          HB3       GLU 110   1.172  10.507   3.123
  894   2HB   GLU 110          HB2       GLU 110   2.667  10.605   2.244
  895   1HG   GLU 110          HG3       GLU 110   1.734   8.402   4.022
  896   2HG   GLU 110          HG2       GLU 110   2.146   8.323   2.310
  897    H    GLN 111           HN       GLN 111   4.717  10.587   2.664
  898    HA   GLN 111           HA       GLN 111   6.691  11.657   2.173
  899   1HB   GLN 111          HB2       GLN 111   4.425  12.939   0.808
  900   2HB   GLN 111          HB3       GLN 111   6.032  13.606   0.550
  901   1HG   GLN 111          HG2       GLN 111   6.749  11.218   0.007
  902   2HG   GLN 111          HG3       GLN 111   5.024  10.860  -0.065
  903   1HE2  GLN 111          HE21      GLN 111   5.128  13.906  -1.015
  904   2HE2  GLN 111          HE22      GLN 111   5.036  13.620  -2.713
  905    H    GLU 112           HN       GLU 112   7.213  12.270   4.304
  906    HA   GLU 112           HA       GLU 112   6.736  14.661   5.577
  907   1HB   GLU 112          HB3       GLU 112   9.023  14.170   6.632
  908   2HB   GLU 112          HB2       GLU 112   7.780  12.925   6.765
  909   1HG   GLU 112          HG2       GLU 112   8.754  11.739   4.880
  910   2HG   GLU 112          HG3       GLU 112  10.009  12.966   4.748
  911    H    LYS 113           HN       LYS 113   9.237  13.927   3.143
  912    HA   LYS 113           HA       LYS 113  10.486  16.463   3.364
  913   1HB   LYS 113          HB3       LYS 113  10.634  14.238   1.371
  914   2HB   LYS 113          HB2       LYS 113  11.346  15.794   0.979
  915   1HG   LYS 113          HG2       LYS 113  13.138  14.679   1.868
  916   2HG   LYS 113          HG3       LYS 113  12.518  15.529   3.296
  917   1HD   LYS 113          HD2       LYS 113  11.205  13.399   3.796
  918   2HD   LYS 113          HD3       LYS 113  12.220  12.619   2.578
  919   1HE   LYS 113          HE3       LYS 113  14.191  13.588   3.889
  920   2HE   LYS 113          HE2       LYS 113  13.035  13.830   5.192
  921   1HZ   LYS 113          HZ1       LYS 113  12.586  11.273   4.489
  922   2HZ   LYS 113          HZ2       LYS 113  13.614  11.755   5.750
  923   3HZ   LYS 113          HZ3       LYS 113  14.271  11.419   4.222
  924    H    TYR 114           HN       TYR 114   8.549  15.132   0.667
  925    HA   TYR 114           HA       TYR 114   7.370  16.170  -0.995
  926   1HB   TYR 114          HB3       TYR 114   5.892  16.374   1.091
  927   2HB   TYR 114          HB2       TYR 114   6.439  18.042   1.187
  928    HD1  TYR 114           HD1      TYR 114   5.247  15.844  -1.607
  929    HD2  TYR 114           HD2      TYR 114   4.802  19.517   0.497
  930    HE1  TYR 114           HE1      TYR 114   3.470  16.516  -3.169
  931    HE2  TYR 114           HE2      TYR 114   3.033  20.200  -1.072
  932    HH   TYR 114           HH       TYR 114   1.291  18.466  -2.727
  933    H    ALA 115           HN       ALA 115   9.717  16.855  -1.435
  934    HA   ALA 115           HA       ALA 115  10.621  19.454  -1.057
  935   1HB   ALA 115          HB1       ALA 115  12.356  18.258  -1.794
  936   2HB   ALA 115          HB2       ALA 115  11.331  17.176  -2.748
  937   3HB   ALA 115          HB3       ALA 115  11.797  18.746  -3.401
  938    H    ALA 116           HN       ALA 116   8.641  18.113  -3.666
  939    HA   ALA 116           HA       ALA 116   8.333  20.865  -4.693
  940   1HB   ALA 116          HB1       ALA 116   7.754  18.493  -6.406
  941   2HB   ALA 116          HB2       ALA 116   8.318  20.105  -6.855
  942   3HB   ALA 116          HB3       ALA 116   9.435  18.963  -6.128
  943    H    GLU 117           HN       GLU 117   6.428  21.714  -4.303
  944    HA   GLU 117           HA       GLU 117   4.170  20.102  -3.551
  945   1HB   GLU 117          HB2       GLU 117   4.632  22.380  -2.601
  946   2HB   GLU 117          HB3       GLU 117   4.270  23.061  -4.176
  947   1HG   GLU 117          HG2       GLU 117   2.002  22.071  -4.015
  948   2HG   GLU 117          HG3       GLU 117   2.392  21.574  -2.372
  949    H    ARG 118           HN       ARG 118   2.969  19.077  -5.009
  950    HA   ARG 118           HA       ARG 118   1.636  18.683  -6.801
  951   1HB   ARG 118          HB3       ARG 118   0.852  20.945  -6.925
  952   2HB   ARG 118          HB2       ARG 118   2.381  21.511  -7.576
  953   1HG   ARG 118          HG3       ARG 118   1.921  20.072  -9.591
  954   2HG   ARG 118          HG2       ARG 118   0.290  19.852  -8.953
  955   1HD   ARG 118          HD2       ARG 118   1.521  22.557  -9.414
  956   2HD   ARG 118          HD3       ARG 118   0.625  21.702 -10.665
  957    HE   ARG 118           HE       ARG 118  -0.914  21.889  -8.281
  958   1HH1  ARG 118          HH12      ARG 118   0.162  24.889 -10.103
  959   2HH1  ARG 118          HH11      ARG 118  -0.661  24.082 -11.413
  960   1HH2  ARG 118          HH21      ARG 118  -3.001  23.169  -8.790
  961   2HH2  ARG 118          HH22      ARG 118  -2.501  24.827  -8.973
  962    H    ASP 119           HN       ASP 119   4.470  20.539  -7.954
  963    HA   ASP 119           HA       ASP 119   5.909  18.350  -8.912
  964   1HB   ASP 119          HB2       ASP 119   5.514  18.378 -11.270
  965   2HB   ASP 119          HB3       ASP 119   3.954  18.223 -10.467
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1  13.752   1.167  16.615
    2   2H    MET   1          HT2       MET   1  15.399   1.329  17.086
    3   3H    MET   1          HT3       MET   1  14.535  -0.115  17.445
    4    HA   MET   1           HA       MET   1  14.533   0.581  14.685
    5   1HB   MET   1          HB3       MET   1  16.902  -0.144  14.367
    6   2HB   MET   1          HB2       MET   1  16.741   1.409  15.173
    7   1HG   MET   1          HG2       MET   1  17.133   0.326  17.325
    8   2HG   MET   1          HG3       MET   1  17.319  -1.223  16.505
    9   1HE   MET   1          HE1       MET   1  20.332   0.521  18.209
   10   2HE   MET   1          HE2       MET   1  19.074  -0.711  18.341
   11   3HE   MET   1          HE3       MET   1  20.608  -1.100  17.555
   12    H    GLY   2           HN       GLY   2  12.815  -1.026  15.621
   13   1HA   GLY   2          HA1       GLY   2  12.732  -3.368  14.497
   14   2HA   GLY   2          HA2       GLY   2  13.933  -3.741  15.724
   15    H    ASP   3           HN       ASP   3  13.197  -2.761  17.931
   16    HA   ASP   3           HA       ASP   3  12.024  -3.447  19.766
   17   1HB   ASP   3          HB3       ASP   3  10.119  -1.768  18.164
   18   2HB   ASP   3          HB2       ASP   3   9.721  -2.337  19.779
   19    H    THR   4           HN       THR   4   8.872  -3.457  18.594
   20    HA   THR   4           HA       THR   4   8.859  -6.395  18.620
   21    HB   THR   4           HB       THR   4   6.368  -5.974  19.253
   22    HG1  THR   4           HG1      THR   4   7.083  -3.702  20.568
   23   1HG2  THR   4          HG21      THR   4   8.519  -6.578  20.740
   24   2HG2  THR   4          HG22      THR   4   6.894  -6.379  21.404
   25   3HG2  THR   4          HG23      THR   4   8.053  -5.044  21.484
   26    H    GLY   5           HN       GLY   5   9.423  -6.174  16.311
   27   1HA   GLY   5          HA2       GLY   5   8.808  -6.462  14.113
   28   2HA   GLY   5          HA1       GLY   5   7.143  -6.578  14.665
   29    H    LYS   6           HN       LYS   6   9.188  -3.833  15.315
   30    HA   LYS   6           HA       LYS   6   7.509  -2.206  13.520
   31   1HB   LYS   6          HB2       LYS   6   8.875  -1.447  16.110
   32   2HB   LYS   6          HB3       LYS   6   8.018  -0.318  15.065
   33   1HG   LYS   6          HG2       LYS   6   5.950  -1.462  15.432
   34   2HG   LYS   6          HG3       LYS   6   6.761  -2.751  16.323
   35   1HD   LYS   6          HD2       LYS   6   7.456  -1.061  18.003
   36   2HD   LYS   6          HD3       LYS   6   6.490   0.141  17.145
   37   1HE   LYS   6          HE2       LYS   6   5.453  -2.404  18.385
   38   2HE   LYS   6          HE3       LYS   6   5.291  -0.791  19.066
   39   1HZ   LYS   6          HZ1       LYS   6   4.042  -0.196  16.990
   40   2HZ   LYS   6          HZ2       LYS   6   3.268  -1.314  18.004
   41   3HZ   LYS   6          HZ3       LYS   6   4.036  -1.847  16.594
   42    H    LEU   7           HN       LEU   7   8.485  -0.660  12.246
   43    HA   LEU   7           HA       LEU   7  10.044   0.276  10.925
   44   1HB   LEU   7          HB2       LEU   7  11.823  -0.339  13.266
   45   2HB   LEU   7          HB3       LEU   7  12.441   0.400  11.805
   46    HG   LEU   7           HG       LEU   7  10.288   1.559  13.591
   47   1HD1  LEU   7          HD21      LEU   7  12.670   1.481  14.469
   48   2HD1  LEU   7          HD22      LEU   7  13.073   2.598  13.168
   49   3HD1  LEU   7          HD23      LEU   7  11.895   3.068  14.393
   50   1HD2  LEU   7          HD11      LEU   7  10.128   3.358  12.177
   51   2HD2  LEU   7          HD12      LEU   7  11.709   3.077  11.460
   52   3HD2  LEU   7          HD13      LEU   7  10.351   2.046  11.023
   53    H    GLY   8           HN       GLY   8  12.712  -0.433  10.428
   54   1HA   GLY   8          HA2       GLY   8  14.004  -2.239   9.569
   55   2HA   GLY   8          HA1       GLY   8  12.552  -3.247   9.581
   56    H    ARG   9           HN       ARG   9  10.782  -1.507   8.504
   57    HA   ARG   9           HA       ARG   9  11.737  -1.068   5.754
   58   1HB   ARG   9          HB3       ARG   9   8.893  -1.585   6.680
   59   2HB   ARG   9          HB2       ARG   9   9.453  -1.455   5.016
   60   1HG   ARG   9          HG2       ARG   9  10.302  -3.612   6.909
   61   2HG   ARG   9          HG3       ARG   9   8.980  -3.776   5.760
   62   1HD   ARG   9          HD2       ARG   9  10.614  -3.233   3.950
   63   2HD   ARG   9          HD3       ARG   9  11.900  -3.322   5.150
   64    HE   ARG   9           HE       ARG   9  10.618  -5.510   3.855
   65   1HH1  ARG   9          HH12      ARG   9  12.964  -5.248   6.783
   66   2HH1  ARG   9          HH11      ARG   9  11.436  -5.551   7.576
   67   1HH2  ARG   9          HH22      ARG   9  11.861  -7.644   4.500
   68   2HH2  ARG   9          HH21      ARG   9  10.839  -7.873   5.884
   69    H    ILE  10           HN       ILE  10  11.606   1.014   5.108
   70    HA   ILE  10           HA       ILE  10  11.463   3.162   6.714
   71    HB   ILE  10           HB       ILE  10  12.159   3.340   4.419
   72   1HG1  ILE  10          HG12      ILE  10  11.014   5.460   3.758
   73   2HG1  ILE  10          HG13      ILE  10   9.828   5.177   5.030
   74   1HG2  ILE  10          HG21      ILE  10  10.570   3.389   2.565
   75   2HG2  ILE  10          HG22      ILE  10  10.557   1.841   3.409
   76   3HG2  ILE  10          HG23      ILE  10   9.258   3.004   3.688
   77   1HD1  ILE  10          HD11      ILE  10  12.435   6.367   5.183
   78   2HD1  ILE  10          HD12      ILE  10  11.158   6.310   6.393
   79   3HD1  ILE  10          HD13      ILE  10  12.321   4.991   6.278
   80    H    ILE  11           HN       ILE  11   8.587   1.794   5.081
   81    HA   ILE  11           HA       ILE  11   6.985   3.456   6.897
   82    HB   ILE  11           HB       ILE  11   5.853   2.328   4.364
   83   1HG1  ILE  11          HG13      ILE  11   7.373   4.936   4.680
   84   2HG1  ILE  11          HG12      ILE  11   7.833   3.573   3.660
   85   1HG2  ILE  11          HG21      ILE  11   4.640   4.683   4.763
   86   2HG2  ILE  11          HG22      ILE  11   4.101   3.192   5.528
   87   3HG2  ILE  11          HG23      ILE  11   5.108   4.325   6.422
   88   1HD1  ILE  11          HD11      ILE  11   5.176   4.705   3.138
   89   2HD1  ILE  11          HD12      ILE  11   6.548   5.751   2.768
   90   3HD1  ILE  11          HD13      ILE  11   6.425   4.159   2.022
   91    H    ARG  12           HN       ARG  12   4.973   1.291   5.315
   92    HA   ARG  12           HA       ARG  12   5.420  -0.848   7.268
   93   1HB   ARG  12          HB3       ARG  12   2.876   0.756   7.060
   94   2HB   ARG  12          HB2       ARG  12   2.958  -0.831   7.815
   95   1HG   ARG  12          HG2       ARG  12   4.560   0.001   9.442
   96   2HG   ARG  12          HG3       ARG  12   4.459   1.610   8.714
   97   1HD   ARG  12          HD3       ARG  12   3.038   1.455  10.687
   98   2HD   ARG  12          HD2       ARG  12   2.069   1.693   9.234
   99    HE   ARG  12           HE       ARG  12   1.113  -0.354   9.573
  100   1HH1  ARG  12          HH12      ARG  12   2.699  -0.081  12.692
  101   2HH1  ARG  12          HH11      ARG  12   4.023  -1.051  12.096
  102   1HH2  ARG  12          HH22      ARG  12   0.971  -2.504  10.391
  103   2HH2  ARG  12          HH21      ARG  12   1.772  -2.824  11.908
  104    H    HIS  13           HN       HIS  13   3.951  -2.666   7.023
  105    HA   HIS  13           HA       HIS  13   2.820  -2.980   4.339
  106   1HB   HIS  13          HB2       HIS  13   3.854  -5.074   3.978
  107   2HB   HIS  13          HB3       HIS  13   5.153  -4.072   4.606
  108    HD1  HIS  13           HD1      HIS  13   5.578  -4.436   7.319
  109    HD2  HIS  13           HD2      HIS  13   3.588  -7.439   5.251
  110    HE1  HIS  13           HE1      HIS  13   5.678  -6.454   8.807
  111    HE2  HIS  13           HE2      HIS  13   4.238  -8.168   7.647
  112    H    ASP  14           HN       ASP  14   0.725  -3.763   4.506
  113    HA   ASP  14           HA       ASP  14  -0.025  -5.403   6.783
  114   1HB   ASP  14          HB3       ASP  14  -0.341  -2.590   6.869
  115   2HB   ASP  14          HB2       ASP  14  -1.955  -3.265   6.729
  116    H    ALA  15           HN       ALA  15  -1.964  -6.510   6.533
  117    HA   ALA  15           HA       ALA  15  -2.806  -6.838   3.801
  118   1HB   ALA  15          HB1       ALA  15  -3.752  -8.845   4.495
  119   2HB   ALA  15          HB2       ALA  15  -2.357  -8.645   5.563
  120   3HB   ALA  15          HB3       ALA  15  -3.980  -8.271   6.154
  121    H    PHE  16           HN       PHE  16  -4.471  -5.851   2.856
  122    HA   PHE  16           HA       PHE  16  -6.742  -5.069   4.558
  123   1HB   PHE  16          HB2       PHE  16  -5.704  -3.487   2.190
  124   2HB   PHE  16          HB3       PHE  16  -7.159  -3.131   3.110
  125    HD1  PHE  16           HD1      PHE  16  -3.455  -3.377   3.481
  126    HD2  PHE  16           HD2      PHE  16  -7.115  -1.791   4.965
  127    HE1  PHE  16           HE1      PHE  16  -2.201  -1.947   5.044
  128    HE2  PHE  16           HE2      PHE  16  -5.865  -0.355   6.524
  129    HZ   PHE  16           HZ       PHE  16  -3.409  -0.433   6.564
  130    H    GLN  17           HN       GLN  17  -8.353  -6.480   4.040
  131    HA   GLN  17           HA       GLN  17  -8.575  -7.580   1.404
  132   1HB   GLN  17          HB3       GLN  17  -9.217  -8.851   3.453
  133   2HB   GLN  17          HB2       GLN  17 -10.523  -7.708   3.724
  134   1HG   GLN  17          HG3       GLN  17 -11.581  -8.391   1.648
  135   2HG   GLN  17          HG2       GLN  17 -10.246  -9.493   1.319
  136   1HE2  GLN  17          HE21      GLN  17 -13.317  -9.453   2.287
  137   2HE2  GLN  17          HE22      GLN  17 -13.356 -10.795   3.371
  138    H    VAL  18           HN       VAL  18  -9.435  -6.500  -0.222
  139    HA   VAL  18           HA       VAL  18 -11.818  -4.981   0.050
  140    HB   VAL  18           HB       VAL  18 -10.282  -3.083  -1.258
  141   1HG1  VAL  18          HG21      VAL  18 -10.779  -2.393   1.487
  142   2HG1  VAL  18          HG22      VAL  18 -11.531  -1.781   0.008
  143   3HG1  VAL  18          HG23      VAL  18 -12.147  -3.247   0.775
  144   1HG2  VAL  18          HG11      VAL  18  -8.737  -2.537   0.804
  145   2HG2  VAL  18          HG12      VAL  18  -8.716  -4.295   0.925
  146   3HG2  VAL  18          HG13      VAL  18  -8.191  -3.509  -0.566
  147    H    TRP  19           HN       TRP  19 -11.950  -3.580  -2.065
  148    HA   TRP  19           HA       TRP  19 -11.806  -5.483  -4.263
  149   1HB   TRP  19          HB2       TRP  19 -13.261  -2.842  -4.082
  150   2HB   TRP  19          HB3       TRP  19 -13.571  -4.160  -5.209
  151    HD1  TRP  19           HD1      TRP  19 -15.020  -6.227  -4.313
  152    HE1  TRP  19           HE1      TRP  19 -16.535  -6.526  -2.248
  153    HE3  TRP  19           HE3      TRP  19 -13.417  -2.219  -1.521
  154    HZ2  TRP  19           HZ2      TRP  19 -16.975  -5.257   0.219
  155    HZ3  TRP  19           HZ3      TRP  19 -14.444  -1.863   0.681
  156    HH2  TRP  19           HH2      TRP  19 -16.179  -3.346   1.535
  157    H    GLU  20           HN       GLU  20 -10.262  -5.240  -5.775
  158    HA   GLU  20           HA       GLU  20  -9.327  -2.548  -6.494
  159   1HB   GLU  20          HB2       GLU  20  -7.702  -3.468  -4.883
  160   2HB   GLU  20          HB3       GLU  20  -7.521  -4.874  -5.912
  161   1HG   GLU  20          HG3       GLU  20  -6.944  -2.191  -7.034
  162   2HG   GLU  20          HG2       GLU  20  -5.761  -2.978  -5.988
  163    H    GLY  21           HN       GLY  21  -9.905  -2.398  -8.546
  164   1HA   GLY  21          HA1       GLY  21  -9.230  -2.987 -10.831
  165   2HA   GLY  21          HA2       GLY  21  -9.380  -4.672 -10.356
  166    H    ASP  22           HN       ASP  22 -11.192  -5.597 -11.081
  167    HA   ASP  22           HA       ASP  22 -13.458  -4.027 -11.994
  168   1HB   ASP  22          HB3       ASP  22 -12.422  -6.525 -12.635
  169   2HB   ASP  22          HB2       ASP  22 -13.859  -6.922 -11.703
  170    H    GLU  23           HN       GLU  23 -12.792  -3.726  -9.284
  171    HA   GLU  23           HA       GLU  23 -13.541  -3.706  -7.170
  172   1HB   GLU  23          HB3       GLU  23 -15.416  -2.576  -8.374
  173   2HB   GLU  23          HB2       GLU  23 -16.285  -4.104  -8.344
  174   1HG   GLU  23          HG2       GLU  23 -16.356  -4.090  -5.944
  175   2HG   GLU  23          HG3       GLU  23 -15.284  -2.689  -5.885
  176    HA   PRO  24           HA       PRO  24 -14.295  -8.269  -6.734
  177   1HB   PRO  24          HB2       PRO  24 -11.916  -9.387  -7.259
  178   2HB   PRO  24          HB3       PRO  24 -13.020  -8.933  -8.556
  179   1HG   PRO  24          HG2       PRO  24 -10.477  -7.696  -7.758
  180   2HG   PRO  24          HG3       PRO  24 -11.342  -7.583  -9.304
  181   1HD   PRO  24          HD2       PRO  24 -11.334  -5.720  -7.072
  182   2HD   PRO  24          HD3       PRO  24 -12.060  -5.532  -8.683
  183    HA   PRO  25           HA       PRO  25 -12.526  -7.680  -2.659
  184   1HB   PRO  25          HB3       PRO  25 -13.717  -9.842  -1.486
  185   2HB   PRO  25          HB2       PRO  25 -14.430  -8.248  -1.643
  186   1HG   PRO  25          HG3       PRO  25 -15.023 -10.736  -3.119
  187   2HG   PRO  25          HG2       PRO  25 -16.048  -9.312  -2.850
  188   1HD   PRO  25          HD2       PRO  25 -14.685  -9.969  -5.214
  189   2HD   PRO  25          HD3       PRO  25 -15.462  -8.422  -4.838
  190    H    LYS  26           HN       LYS  26 -10.504  -8.095  -2.878
  191    HA   LYS  26           HA       LYS  26  -9.628 -10.911  -3.005
  192   1HB   LYS  26          HB2       LYS  26  -9.164  -9.071  -4.916
  193   2HB   LYS  26          HB3       LYS  26  -7.770  -8.763  -3.889
  194   1HG   LYS  26          HG3       LYS  26  -6.981 -10.981  -4.139
  195   2HG   LYS  26          HG2       LYS  26  -8.485 -11.501  -4.894
  196   1HD   LYS  26          HD2       LYS  26  -6.546  -9.510  -6.079
  197   2HD   LYS  26          HD3       LYS  26  -6.662 -11.217  -6.524
  198   1HE   LYS  26          HE3       LYS  26  -8.953  -9.267  -6.750
  199   2HE   LYS  26          HE2       LYS  26  -7.841  -9.609  -8.067
  200   1HZ   LYS  26          HZ1       LYS  26  -9.889 -10.919  -8.212
  201   2HZ   LYS  26          HZ2       LYS  26  -9.558 -11.632  -6.714
  202   3HZ   LYS  26          HZ3       LYS  26  -8.533 -11.918  -8.035
  203    H    LEU  27           HN       LEU  27  -7.310 -11.189  -2.121
  204    HA   LEU  27           HA       LEU  27  -7.133  -9.750   0.439
  205   1HB   LEU  27          HB3       LEU  27  -7.450 -12.218   0.565
  206   2HB   LEU  27          HB2       LEU  27  -5.987 -12.433  -0.379
  207    HG   LEU  27           HG       LEU  27  -4.653 -11.435   1.417
  208   1HD1  LEU  27          HD21      LEU  27  -7.247 -11.300   2.961
  209   2HD1  LEU  27          HD22      LEU  27  -5.636 -11.016   3.629
  210   3HD1  LEU  27          HD23      LEU  27  -6.285  -9.935   2.395
  211   1HD2  LEU  27          HD11      LEU  27  -6.091 -13.934   1.544
  212   2HD2  LEU  27          HD12      LEU  27  -4.407 -13.573   1.929
  213   3HD2  LEU  27          HD13      LEU  27  -5.656 -13.360   3.159
  214    H    ARG  28           HN       ARG  28  -5.751  -8.062   0.083
  215    HA   ARG  28           HA       ARG  28  -3.226  -8.747  -1.261
  216   1HB   ARG  28          HB3       ARG  28  -4.719  -6.140  -1.457
  217   2HB   ARG  28          HB2       ARG  28  -3.185  -6.523  -2.233
  218   1HG   ARG  28          HG2       ARG  28  -4.258  -8.232  -3.564
  219   2HG   ARG  28          HG3       ARG  28  -5.802  -7.908  -2.764
  220   1HD   ARG  28          HD3       ARG  28  -4.198  -5.986  -4.433
  221   2HD   ARG  28          HD2       ARG  28  -5.699  -6.782  -4.912
  222    HE   ARG  28           HE       ARG  28  -5.434  -4.432  -3.324
  223   1HH1  ARG  28          HH12      ARG  28  -7.780  -6.486  -4.719
  224   2HH1  ARG  28          HH11      ARG  28  -8.519  -6.881  -3.198
  225   1HH2  ARG  28          HH21      ARG  28  -7.509  -4.017  -1.657
  226   2HH2  ARG  28          HH22      ARG  28  -8.543  -3.855  -3.042
  227    H    TYR  29           HN       TYR  29  -1.471  -8.403  -0.135
  228    HA   TYR  29           HA       TYR  29  -1.571  -6.882   2.345
  229   1HB   TYR  29          HB2       TYR  29   0.858  -8.177   1.084
  230   2HB   TYR  29          HB3       TYR  29   0.620  -7.746   2.771
  231    HD1  TYR  29           HD1      TYR  29  -1.801  -8.925   3.603
  232    HD2  TYR  29           HD2      TYR  29   1.028 -10.468   0.831
  233    HE1  TYR  29           HE1      TYR  29  -2.518 -11.208   4.153
  234    HE2  TYR  29           HE2      TYR  29   0.309 -12.760   1.368
  235    HH   TYR  29           HH       TYR  29  -1.161 -14.027   2.485
  236    H    VAL  30           HN       VAL  30  -1.072  -4.740   2.342
  237    HA   VAL  30           HA       VAL  30   0.092  -3.626  -0.089
  238    HB   VAL  30           HB       VAL  30  -1.026  -2.209   2.350
  239   1HG1  VAL  30          HG21      VAL  30   0.624  -1.207   0.335
  240   2HG1  VAL  30          HG22      VAL  30  -1.002  -0.670  -0.089
  241   3HG1  VAL  30          HG23      VAL  30  -0.329  -0.280   1.494
  242   1HG2  VAL  30          HG11      VAL  30  -2.920  -1.657   0.779
  243   2HG2  VAL  30          HG12      VAL  30  -2.262  -2.870  -0.317
  244   3HG2  VAL  30          HG13      VAL  30  -2.826  -3.345   1.286
  245    H    PHE  31           HN       PHE  31   2.081  -2.666  -0.168
  246    HA   PHE  31           HA       PHE  31   3.663  -2.586   2.314
  247   1HB   PHE  31          HB3       PHE  31   4.870  -3.399  -0.330
  248   2HB   PHE  31          HB2       PHE  31   5.580  -3.525   1.270
  249    HD1  PHE  31           HD1      PHE  31   3.378  -5.082  -1.173
  250    HD2  PHE  31           HD2      PHE  31   4.955  -5.320   2.769
  251    HE1  PHE  31           HE1      PHE  31   2.672  -7.436  -1.038
  252    HE2  PHE  31           HE2      PHE  31   4.263  -7.676   2.909
  253    HZ   PHE  31           HZ       PHE  31   3.119  -8.734   1.003
  254    H    LEU  32           HN       LEU  32   3.767  -0.372   2.534
  255    HA   LEU  32           HA       LEU  32   4.443   1.179   0.142
  256   1HB   LEU  32          HB2       LEU  32   4.438   2.752   2.573
  257   2HB   LEU  32          HB3       LEU  32   3.591   3.000   1.058
  258    HG   LEU  32           HG       LEU  32   2.562   1.108   3.157
  259   1HD1  LEU  32          HD11      LEU  32   1.046   3.461   3.212
  260   2HD1  LEU  32          HD12      LEU  32   2.119   2.850   4.472
  261   3HD1  LEU  32          HD13      LEU  32   2.733   3.987   3.269
  262   1HD2  LEU  32          HD21      LEU  32   1.624   2.228   0.588
  263   2HD2  LEU  32          HD22      LEU  32   1.309   0.660   1.325
  264   3HD2  LEU  32          HD23      LEU  32   0.429   2.083   1.869
  265    H    PHE  33           HN       PHE  33   6.410   1.952  -0.245
  266    HA   PHE  33           HA       PHE  33   8.374   1.827   1.925
  267   1HB   PHE  33          HB3       PHE  33   8.728   0.866  -0.925
  268   2HB   PHE  33          HB2       PHE  33  10.073   1.118   0.188
  269    HD1  PHE  33           HD1      PHE  33   9.461  -0.047   2.637
  270    HD2  PHE  33           HD2      PHE  33   8.181  -1.328  -1.223
  271    HE1  PHE  33           HE1      PHE  33   9.137  -2.322   3.499
  272    HE2  PHE  33           HE2      PHE  33   7.863  -3.607  -0.357
  273    HZ   PHE  33           HZ       PHE  33   8.336  -4.106   2.006
  274    H    ARG  34           HN       ARG  34  10.524   2.931   0.774
  275    HA   ARG  34           HA       ARG  34   9.680   5.659   0.404
  276   1HB   ARG  34          HB2       ARG  34  11.710   4.863   1.759
  277   2HB   ARG  34          HB3       ARG  34  12.507   4.603   0.217
  278   1HG   ARG  34          HG2       ARG  34  11.333   7.270   0.907
  279   2HG   ARG  34          HG3       ARG  34  12.931   6.807   1.488
  280   1HD   ARG  34          HD3       ARG  34  13.462   6.279  -0.950
  281   2HD   ARG  34          HD2       ARG  34  11.984   7.155  -1.337
  282    HE   ARG  34           HE       ARG  34  13.650   8.715   0.355
  283   1HH1  ARG  34          HH11      ARG  34  14.234   7.679  -3.170
  284   2HH1  ARG  34          HH12      ARG  34  13.149   9.023  -3.436
  285   1HH2  ARG  34          HH21      ARG  34  15.611  10.067  -1.072
  286   2HH2  ARG  34          HH22      ARG  34  14.339  10.933  -1.869
  287    H    ASN  35           HN       ASN  35   9.460   6.689  -1.444
  288    HA   ASN  35           HA       ASN  35   9.788   7.324  -3.611
  289   1HB   ASN  35          HB2       ASN  35  11.970   6.479  -3.842
  290   2HB   ASN  35          HB3       ASN  35  11.415   4.810  -3.770
  291   1HD2  ASN  35          HD21      ASN  35  11.575   3.823  -5.562
  292   2HD2  ASN  35          HD22      ASN  35  11.255   4.458  -7.139
  293    H    LYS  36           HN       LYS  36   8.372   4.282  -2.683
  294    HA   LYS  36           HA       LYS  36   6.165   4.784  -4.368
  295   1HB   LYS  36          HB2       LYS  36   6.296   2.838  -5.871
  296   2HB   LYS  36          HB3       LYS  36   7.551   4.026  -6.171
  297   1HG   LYS  36          HG3       LYS  36   8.745   2.101  -6.344
  298   2HG   LYS  36          HG2       LYS  36   8.976   2.464  -4.633
  299   1HD   LYS  36          HD3       LYS  36   7.414   0.829  -3.967
  300   2HD   LYS  36          HD2       LYS  36   6.764   0.674  -5.598
  301   1HE   LYS  36          HE3       LYS  36   8.931  -0.267  -6.330
  302   2HE   LYS  36          HE2       LYS  36   9.503  -0.179  -4.664
  303   1HZ   LYS  36          HZ1       LYS  36   7.045  -1.535  -4.708
  304   2HZ   LYS  36          HZ2       LYS  36   8.565  -2.128  -4.262
  305   3HZ   LYS  36          HZ3       LYS  36   8.049  -2.239  -5.877
  306    H    ILE  37           HN       ILE  37   4.641   2.874  -4.490
  307    HA   ILE  37           HA       ILE  37   4.680   1.357  -1.948
  308    HB   ILE  37           HB       ILE  37   2.287   2.561  -3.378
  309   1HG1  ILE  37          HG12      ILE  37   3.660   3.365  -0.808
  310   2HG1  ILE  37          HG13      ILE  37   3.627   4.283  -2.313
  311   1HG2  ILE  37          HG21      ILE  37   2.486   0.902  -0.876
  312   2HG2  ILE  37          HG22      ILE  37   1.107   1.949  -1.215
  313   3HG2  ILE  37          HG23      ILE  37   1.495   0.622  -2.306
  314   1HD1  ILE  37          HD11      ILE  37   1.266   3.666  -0.548
  315   2HD1  ILE  37          HD12      ILE  37   2.084   5.225  -0.713
  316   3HD1  ILE  37          HD13      ILE  37   1.196   4.542  -2.079
  317    H    MET  38           HN       MET  38   3.174  -0.637  -2.188
  318    HA   MET  38           HA       MET  38   2.487  -1.560  -4.770
  319   1HB   MET  38          HB3       MET  38   4.091  -3.319  -5.081
  320   2HB   MET  38          HB2       MET  38   4.973  -1.811  -4.868
  321   1HG   MET  38          HG2       MET  38   5.457  -2.381  -2.573
  322   2HG   MET  38          HG3       MET  38   4.493  -3.848  -2.704
  323   1HE   MET  38          HE1       MET  38   7.256  -6.029  -2.654
  324   2HE   MET  38          HE2       MET  38   7.821  -4.570  -1.841
  325   3HE   MET  38          HE3       MET  38   6.133  -5.059  -1.700
  326    H    PHE  39           HN       PHE  39   1.861  -3.915  -4.683
  327    HA   PHE  39           HA       PHE  39   1.465  -5.100  -2.133
  328   1HB   PHE  39          HB3       PHE  39  -0.982  -5.117  -2.122
  329   2HB   PHE  39          HB2       PHE  39  -0.354  -3.487  -2.006
  330    HD1  PHE  39           HD1      PHE  39  -1.501  -5.838  -4.687
  331    HD2  PHE  39           HD2      PHE  39  -1.481  -1.868  -3.147
  332    HE1  PHE  39           HE1      PHE  39  -3.044  -5.134  -6.470
  333    HE2  PHE  39           HE2      PHE  39  -3.022  -1.169  -4.941
  334    HZ   PHE  39           HZ       PHE  39  -3.794  -2.803  -6.595
  335    H    THR  40           HN       THR  40  -0.223  -7.080  -2.570
  336    HA   THR  40           HA       THR  40   0.471  -8.199  -5.193
  337    HB   THR  40           HB       THR  40   0.709 -10.427  -3.983
  338    HG1  THR  40           HG1      THR  40   1.445  -9.191  -1.650
  339   1HG2  THR  40          HG21      THR  40   2.783  -8.417  -3.143
  340   2HG2  THR  40          HG22      THR  40   2.678  -9.113  -4.763
  341   3HG2  THR  40          HG23      THR  40   2.990 -10.157  -3.370
  342    H    GLU  41           HN       GLU  41  -1.342  -8.755  -6.241
  343    HA   GLU  41           HA       GLU  41  -3.819  -8.800  -4.783
  344   1HB   GLU  41          HB2       GLU  41  -4.883  -9.078  -6.997
  345   2HB   GLU  41          HB3       GLU  41  -3.827  -7.678  -6.902
  346   1HG   GLU  41          HG2       GLU  41  -2.900 -10.288  -8.041
  347   2HG   GLU  41          HG3       GLU  41  -3.750  -9.096  -9.018
  348    H    GLN  42           HN       GLN  42  -2.935 -10.773  -3.560
  349    HA   GLN  42           HA       GLN  42  -3.122 -13.291  -4.937
  350   1HB   GLN  42          HB2       GLN  42  -3.072 -12.694  -1.967
  351   2HB   GLN  42          HB3       GLN  42  -2.903 -14.288  -2.692
  352   1HG   GLN  42          HG3       GLN  42  -0.850 -13.654  -3.755
  353   2HG   GLN  42          HG2       GLN  42  -1.043 -11.988  -3.211
  354   1HE2  GLN  42          HE21      GLN  42   0.294 -11.509  -1.650
  355   2HE2  GLN  42          HE22      GLN  42   0.828 -12.574  -0.396
  356    H    ASP  43           HN       ASP  43  -4.920 -14.454  -5.289
  357    HA   ASP  43           HA       ASP  43  -7.383 -13.409  -4.154
  358   1HB   ASP  43          HB3       ASP  43  -6.980 -13.653  -6.683
  359   2HB   ASP  43          HB2       ASP  43  -7.273 -15.369  -6.409
  360    H    ALA  44           HN       ALA  44  -7.306 -14.292  -2.223
  361    HA   ALA  44           HA       ALA  44  -7.840 -15.743  -0.608
  362   1HB   ALA  44          HB1       ALA  44  -9.139 -16.838  -2.868
  363   2HB   ALA  44          HB2       ALA  44  -8.438 -18.170  -1.948
  364   3HB   ALA  44          HB3       ALA  44  -9.541 -17.040  -1.160
  365    H    SER  45           HN       SER  45  -7.242 -18.149   0.167
  366    HA   SER  45           HA       SER  45  -4.397 -18.263  -0.039
  367   1HB   SER  45          HB3       SER  45  -6.276 -20.076   1.495
  368   2HB   SER  45          HB2       SER  45  -4.546 -19.879   1.760
  369    HG   SER  45           HG       SER  45  -4.883 -17.837   2.535
  370    H    THR  46           HN       THR  46  -3.820 -20.815   0.190
  371    HA   THR  46           HA       THR  46  -3.155 -22.610  -1.059
  372    HB   THR  46           HB       THR  46  -4.979 -23.893  -2.253
  373    HG1  THR  46           HG1      THR  46  -6.300 -21.579  -1.929
  374   1HG2  THR  46          HG21      THR  46  -6.106 -23.354   0.407
  375   2HG2  THR  46          HG22      THR  46  -4.431 -23.905   0.334
  376   3HG2  THR  46          HG23      THR  46  -5.712 -24.880  -0.387
  377    H    SER  47           HN       SER  47  -4.763 -23.058  -3.818
  378    HA   SER  47           HA       SER  47  -3.599 -20.814  -5.228
  379   1HB   SER  47          HB3       SER  47  -2.764 -23.655  -5.816
  380   2HB   SER  47          HB2       SER  47  -2.324 -22.239  -6.776
  381    HG   SER  47           HG       SER  47  -1.643 -21.524  -4.428
  382    HA   PRO  48           HA       PRO  48  -7.426 -22.731  -7.295
  383   1HB   PRO  48          HB3       PRO  48  -9.072 -20.548  -6.292
  384   2HB   PRO  48          HB2       PRO  48  -9.323 -22.291  -6.150
  385   1HG   PRO  48          HG3       PRO  48  -8.669 -20.702  -4.034
  386   2HG   PRO  48          HG2       PRO  48  -8.220 -22.414  -4.138
  387   1HD   PRO  48          HD3       PRO  48  -6.555 -19.981  -4.672
  388   2HD   PRO  48          HD2       PRO  48  -6.115 -21.487  -3.849
  389    HA   PRO  49           HA       PRO  49  -7.707 -18.764  -9.878
  390   1HB   PRO  49          HB2       PRO  49  -7.282 -16.340  -8.351
  391   2HB   PRO  49          HB3       PRO  49  -8.749 -16.862  -9.190
  392   1HG   PRO  49          HG2       PRO  49  -8.560 -16.679  -6.478
  393   2HG   PRO  49          HG3       PRO  49  -9.646 -17.815  -7.320
  394   1HD   PRO  49          HD3       PRO  49  -6.945 -18.320  -6.101
  395   2HD   PRO  49          HD2       PRO  49  -8.429 -19.299  -5.999
  396    H    SER  50           HN       SER  50  -5.580 -17.822  -7.202
  397    HA   SER  50           HA       SER  50  -3.399 -17.427  -6.972
  398   1HB   SER  50          HB2       SER  50  -1.782 -18.690  -8.263
  399   2HB   SER  50          HB3       SER  50  -3.155 -19.711  -7.856
  400    HG   SER  50           HG       SER  50  -3.855 -18.842 -10.129
  401    H    TYR  51           HN       TYR  51  -2.100 -15.782  -7.221
  402    HA   TYR  51           HA       TYR  51  -1.740 -14.535  -9.822
  403   1HB   TYR  51          HB3       TYR  51  -3.743 -13.565  -8.254
  404   2HB   TYR  51          HB2       TYR  51  -2.390 -12.580  -7.718
  405    HD1  TYR  51           HD1      TYR  51  -0.890 -11.758  -9.921
  406    HD2  TYR  51           HD2      TYR  51  -5.061 -12.594  -9.833
  407    HE1  TYR  51           HE1      TYR  51  -1.222 -10.283 -11.862
  408    HE2  TYR  51           HE2      TYR  51  -5.402 -11.123 -11.772
  409    HH   TYR  51           HH       TYR  51  -3.936 -10.296 -13.737
  410    H    THR  52           HN       THR  52  -0.284 -12.366  -9.244
  411    HA   THR  52           HA       THR  52   1.717 -13.250  -7.289
  412    HB   THR  52           HB       THR  52   3.421 -12.305  -8.975
  413    HG1  THR  52           HG1      THR  52   1.464 -13.006 -10.877
  414   1HG2  THR  52          HG21      THR  52   2.546 -14.849  -8.530
  415   2HG2  THR  52          HG22      THR  52   3.933 -14.398  -9.517
  416   3HG2  THR  52          HG23      THR  52   2.363 -14.683 -10.277
  417    H    HIS  53           HN       HIS  53   2.720 -10.571  -9.124
  418    HA   HIS  53           HA       HIS  53   1.507  -8.616  -7.328
  419   1HB   HIS  53          HB2       HIS  53   3.802  -7.596  -6.902
  420   2HB   HIS  53          HB3       HIS  53   3.452  -9.099  -6.049
  421    HD1  HIS  53           HD1      HIS  53   4.657 -11.278  -6.968
  422    HD2  HIS  53           HD2      HIS  53   6.006  -7.680  -8.557
  423    HE1  HIS  53           HE1      HIS  53   6.776 -11.831  -8.201
  424    HE2  HIS  53           HE2      HIS  53   7.423  -9.691  -9.349
  425    H    TYR  54           HN       TYR  54   0.631  -8.609  -9.674
  426    HA   TYR  54           HA       TYR  54   2.223  -7.251 -11.634
  427   1HB   TYR  54          HB3       TYR  54  -0.617  -8.148 -11.448
  428   2HB   TYR  54          HB2       TYR  54  -0.213  -6.904 -12.628
  429    HD1  TYR  54           HD1      TYR  54   1.392 -10.099 -11.508
  430    HD2  TYR  54           HD2      TYR  54   0.012  -7.691 -14.725
  431    HE1  TYR  54           HE1      TYR  54   2.175 -11.797 -13.108
  432    HE2  TYR  54           HE2      TYR  54   0.783  -9.376 -16.330
  433    HH   TYR  54           HH       TYR  54   2.549 -11.197 -16.369
  434    H    SER  55           HN       SER  55  -0.167  -6.296  -9.245
  435    HA   SER  55           HA       SER  55  -0.272  -3.608 -10.293
  436   1HB   SER  55          HB2       SER  55  -1.473  -4.650  -7.734
  437   2HB   SER  55          HB3       SER  55  -1.933  -3.199  -8.622
  438    HG   SER  55           HG       SER  55  -2.401  -5.905  -9.229
  439    H    SER  56           HN       SER  56   1.113  -2.108  -9.860
  440    HA   SER  56           HA       SER  56   2.437  -2.075  -7.229
  441   1HB   SER  56          HB3       SER  56   4.372  -0.962  -8.474
  442   2HB   SER  56          HB2       SER  56   4.133  -2.680  -8.814
  443    HG   SER  56           HG       SER  56   2.614  -1.471 -10.518
  444    H    ILE  57           HN       ILE  57   2.771   0.057  -6.367
  445    HA   ILE  57           HA       ILE  57   0.999   2.042  -7.615
  446    HB   ILE  57           HB       ILE  57   1.653   1.578  -4.704
  447   1HG1  ILE  57          HG13      ILE  57   0.016   0.007  -5.546
  448   2HG1  ILE  57          HG12      ILE  57  -0.779   1.171  -4.491
  449   1HG2  ILE  57          HG21      ILE  57   0.822   4.008  -5.982
  450   2HG2  ILE  57          HG22      ILE  57  -0.440   3.427  -4.890
  451   3HG2  ILE  57          HG23      ILE  57   1.194   3.701  -4.281
  452   1HD1  ILE  57          HD11      ILE  57  -2.196   1.734  -6.091
  453   2HD1  ILE  57          HD12      ILE  57  -0.884   2.072  -7.219
  454   3HD1  ILE  57          HD13      ILE  57  -1.522   0.432  -7.072
  455    H    ARG  58           HN       ARG  58   2.010   3.739  -8.467
  456    HA   ARG  58           HA       ARG  58   4.442   4.654  -7.104
  457   1HB   ARG  58          HB2       ARG  58   5.629   5.020  -9.045
  458   2HB   ARG  58          HB3       ARG  58   4.765   3.553  -9.457
  459   1HG   ARG  58          HG2       ARG  58   3.400   6.027 -10.216
  460   2HG   ARG  58          HG3       ARG  58   4.933   5.728 -11.034
  461   1HD   ARG  58          HD3       ARG  58   4.057   3.414 -11.550
  462   2HD   ARG  58          HD2       ARG  58   2.481   3.993 -11.000
  463    HE   ARG  58           HE       ARG  58   2.272   5.133 -12.963
  464   1HH1  ARG  58          HH11      ARG  58   6.067   4.841 -12.945
  465   2HH1  ARG  58          HH12      ARG  58   5.432   3.709 -14.116
  466   1HH2  ARG  58          HH22      ARG  58   3.764   5.419 -15.553
  467   2HH2  ARG  58          HH21      ARG  58   4.088   6.896 -14.686
  468    H    LEU  59           HN       LEU  59   4.519   6.786  -6.635
  469    HA   LEU  59           HA       LEU  59   2.103   8.204  -6.579
  470   1HB   LEU  59          HB2       LEU  59   4.933   8.814  -5.909
  471   2HB   LEU  59          HB3       LEU  59   3.812  10.153  -6.025
  472    HG   LEU  59           HG       LEU  59   2.354   8.935  -4.349
  473   1HD1  LEU  59          HD11      LEU  59   3.356   6.707  -4.695
  474   2HD1  LEU  59          HD12      LEU  59   4.844   7.285  -3.946
  475   3HD1  LEU  59          HD13      LEU  59   3.356   7.206  -3.002
  476   1HD2  LEU  59          HD21      LEU  59   4.113  10.783  -3.880
  477   2HD2  LEU  59          HD22      LEU  59   3.423   9.872  -2.535
  478   3HD2  LEU  59          HD23      LEU  59   5.029   9.473  -3.141
  479    H    ASP  60           HN       ASP  60   4.164   7.756  -9.133
  480    HA   ASP  60           HA       ASP  60   4.428  10.149 -10.424
  481   1HB   ASP  60          HB3       ASP  60   5.328   8.030 -11.300
  482   2HB   ASP  60          HB2       ASP  60   3.697   7.528 -11.745
  483    H    LYS  61           HN       LYS  61   1.683   7.910 -11.212
  484    HA   LYS  61           HA       LYS  61   0.131  10.380 -11.612
  485   1HB   LYS  61          HB2       LYS  61  -0.059   7.806 -13.160
  486   2HB   LYS  61          HB3       LYS  61  -1.111   9.198 -13.372
  487   1HG   LYS  61          HG2       LYS  61   1.016  10.511 -13.897
  488   2HG   LYS  61          HG3       LYS  61   1.791   8.936 -14.053
  489   1HD   LYS  61          HD2       LYS  61   0.242   8.286 -15.777
  490   2HD   LYS  61          HD3       LYS  61  -0.662   9.790 -15.575
  491   1HE   LYS  61          HE3       LYS  61   1.390  11.039 -16.224
  492   2HE   LYS  61          HE2       LYS  61   2.170   9.494 -16.556
  493   1HZ   LYS  61          HZ1       LYS  61   1.377   9.694 -18.600
  494   2HZ   LYS  61          HZ2       LYS  61   0.359  10.993 -18.174
  495   3HZ   LYS  61          HZ3       LYS  61  -0.172   9.391 -17.963
  496    H    TYR  62           HN       TYR  62  -0.116   9.536  -9.143
  497    HA   TYR  62           HA       TYR  62  -2.811   8.474  -9.112
  498   1HB   TYR  62          HB3       TYR  62  -2.383   6.479  -8.207
  499   2HB   TYR  62          HB2       TYR  62  -0.699   6.755  -8.601
  500    HD1  TYR  62           HD1      TYR  62  -3.181   7.104  -5.841
  501    HD2  TYR  62           HD2      TYR  62   0.916   6.889  -6.953
  502    HE1  TYR  62           HE1      TYR  62  -2.561   6.862  -3.479
  503    HE2  TYR  62           HE2      TYR  62   1.546   6.658  -4.584
  504    HH   TYR  62           HH       TYR  62   0.356   7.373  -2.263
  505    H    ASN  63           HN       ASN  63  -4.075   9.419  -7.678
  506    HA   ASN  63           HA       ASN  63  -2.822  11.202  -5.690
  507   1HB   ASN  63          HB2       ASN  63  -5.470  11.471  -7.144
  508   2HB   ASN  63          HB3       ASN  63  -4.917  12.552  -5.874
  509   1HD2  ASN  63          HD21      ASN  63  -4.197  14.391  -6.652
  510   2HD2  ASN  63          HD22      ASN  63  -3.522  14.638  -8.224
  511    H    ILE  64           HN       ILE  64  -3.006  10.376  -3.716
  512    HA   ILE  64           HA       ILE  64  -5.095   8.422  -3.176
  513    HB   ILE  64           HB       ILE  64  -2.767   7.944  -2.480
  514   1HG1  ILE  64          HG12      ILE  64  -4.642   8.189  -0.114
  515   2HG1  ILE  64          HG13      ILE  64  -4.784   6.948  -1.350
  516   1HG2  ILE  64          HG21      ILE  64  -3.039   9.846  -0.203
  517   2HG2  ILE  64          HG22      ILE  64  -1.589   9.170  -0.942
  518   3HG2  ILE  64          HG23      ILE  64  -2.481  10.449  -1.763
  519   1HD1  ILE  64          HD11      ILE  64  -3.030   5.775  -0.564
  520   2HD1  ILE  64          HD12      ILE  64  -2.176   7.204   0.006
  521   3HD1  ILE  64          HD13      ILE  64  -3.520   6.550   0.934
  522    H    ARG  65           HN       ARG  65  -6.669   8.615  -1.654
  523    HA   ARG  65           HA       ARG  65  -6.973  11.182  -0.263
  524   1HB   ARG  65          HB3       ARG  65  -9.163   9.816  -1.837
  525   2HB   ARG  65          HB2       ARG  65  -9.329  11.298  -0.909
  526   1HG   ARG  65          HG2       ARG  65  -7.639  10.919  -3.371
  527   2HG   ARG  65          HG3       ARG  65  -9.194  11.753  -3.290
  528   1HD   ARG  65          HD2       ARG  65  -8.227  13.417  -1.781
  529   2HD   ARG  65          HD3       ARG  65  -6.686  12.565  -1.816
  530    HE   ARG  65           HE       ARG  65  -6.218  13.577  -3.803
  531   1HH1  ARG  65          HH12      ARG  65  -9.918  13.864  -3.680
  532   2HH1  ARG  65          HH11      ARG  65  -9.360  15.495  -3.474
  533   1HH2  ARG  65          HH22      ARG  65  -7.187  15.769  -5.336
  534   2HH2  ARG  65          HH21      ARG  65  -7.723  14.435  -6.322
  535    H    GLN  66           HN       GLN  66  -8.914  11.010   1.262
  536    HA   GLN  66           HA       GLN  66  -9.369   8.306   2.231
  537   1HB   GLN  66          HB3       GLN  66  -8.815   8.967   4.563
  538   2HB   GLN  66          HB2       GLN  66  -7.427   8.908   3.492
  539   1HG   GLN  66          HG2       GLN  66  -7.374  11.305   3.340
  540   2HG   GLN  66          HG3       GLN  66  -8.865  11.436   4.270
  541   1HE2  GLN  66          HE21      GLN  66  -7.466   8.971   5.712
  542   2HE2  GLN  66          HE22      GLN  66  -6.708   9.815   7.007
  543    H    HIS  67           HN       HIS  67 -11.395   8.025   2.809
  544    HA   HIS  67           HA       HIS  67 -13.039  10.434   3.262
  545   1HB   HIS  67          HB3       HIS  67 -13.900   7.712   2.252
  546   2HB   HIS  67          HB2       HIS  67 -14.974   9.076   2.550
  547    HD1  HIS  67           HD1      HIS  67 -14.168  11.330   1.060
  548    HD2  HIS  67           HD2      HIS  67 -13.138   7.546  -0.305
  549    HE1  HIS  67           HE1      HIS  67 -13.739  11.594  -1.408
  550    HE2  HIS  67           HE2      HIS  67 -13.359   9.245  -2.249
  551    H    THR  68           HN       THR  68 -12.949  10.623   5.483
  552    HA   THR  68           HA       THR  68 -13.391   8.235   7.092
  553    HB   THR  68           HB       THR  68 -12.890  11.026   8.144
  554    HG1  THR  68           HG1      THR  68 -10.935   9.070   7.448
  555   1HG2  THR  68          HG21      THR  68 -12.325   8.276   9.239
  556   2HG2  THR  68          HG22      THR  68 -13.434   9.484   9.888
  557   3HG2  THR  68          HG23      THR  68 -11.697   9.770   9.936
  558    H    THR  69           HN       THR  69 -14.552  10.031   9.257
  559    HA   THR  69           HA       THR  69 -16.551  10.645  10.093
  560    HB   THR  69           HB       THR  69 -17.582  10.928   7.268
  561    HG1  THR  69           HG1      THR  69 -15.615  12.301   8.559
  562   1HG2  THR  69          HG21      THR  69 -18.526  13.033   8.694
  563   2HG2  THR  69          HG22      THR  69 -18.534  11.758   9.908
  564   3HG2  THR  69          HG23      THR  69 -19.414  11.542   8.401
  565    H    ASP  70           HN       ASP  70 -16.480   8.454  10.771
  566    HA   ASP  70           HA       ASP  70 -17.671   6.633  11.428
  567   1HB   ASP  70          HB3       ASP  70 -19.817   7.558  10.765
  568   2HB   ASP  70          HB2       ASP  70 -19.500   7.148   9.077
  569    H    GLU  71           HN       GLU  71 -17.925   6.492   7.875
  570    HA   GLU  71           HA       GLU  71 -16.428   3.985   7.980
  571   1HB   GLU  71          HB3       GLU  71 -18.204   5.243   5.926
  572   2HB   GLU  71          HB2       GLU  71 -17.027   4.021   5.448
  573   1HG   GLU  71          HG3       GLU  71 -19.137   3.672   7.558
  574   2HG   GLU  71          HG2       GLU  71 -19.231   3.057   5.907
  575    H    ASP  72           HN       ASP  72 -14.394   4.546   8.254
  576    HA   ASP  72           HA       ASP  72 -13.109   6.608   6.708
  577   1HB   ASP  72          HB3       ASP  72 -12.519   6.153   9.080
  578   2HB   ASP  72          HB2       ASP  72 -11.905   4.575   8.593
  579    H    THR  73           HN       THR  73 -12.821   6.165   4.646
  580    HA   THR  73           HA       THR  73 -11.690   3.543   3.905
  581    HB   THR  73           HB       THR  73 -13.219   5.472   2.153
  582    HG1  THR  73           HG1      THR  73 -14.986   4.709   2.932
  583   1HG2  THR  73          HG21      THR  73 -12.333   2.639   1.817
  584   2HG2  THR  73          HG22      THR  73 -12.056   4.026   0.765
  585   3HG2  THR  73          HG23      THR  73 -13.671   3.322   0.890
  586    H    ILE  74           HN       ILE  74  -9.718   3.493   3.006
  587    HA   ILE  74           HA       ILE  74  -8.434   6.020   2.219
  588    HB   ILE  74           HB       ILE  74  -7.094   3.308   2.339
  589   1HG1  ILE  74          HG12      ILE  74  -8.129   4.013   4.585
  590   2HG1  ILE  74          HG13      ILE  74  -6.412   3.636   4.582
  591   1HG2  ILE  74          HG21      ILE  74  -5.331   5.413   2.989
  592   2HG2  ILE  74          HG22      ILE  74  -5.363   4.427   1.524
  593   3HG2  ILE  74          HG23      ILE  74  -6.268   5.940   1.587
  594   1HD1  ILE  74          HD11      ILE  74  -6.416   6.331   4.127
  595   2HD1  ILE  74          HD12      ILE  74  -7.768   6.118   5.235
  596   3HD1  ILE  74          HD13      ILE  74  -6.162   5.544   5.682
  597    H    VAL  75           HN       VAL  75  -8.740   6.512   0.095
  598    HA   VAL  75           HA       VAL  75  -8.736   4.292  -1.838
  599    HB   VAL  75           HB       VAL  75 -10.379   5.432  -3.145
  600   1HG1  VAL  75          HG11      VAL  75 -12.307   5.613  -1.571
  601   2HG1  VAL  75          HG12      VAL  75 -11.395   4.112  -1.443
  602   3HG1  VAL  75          HG13      VAL  75 -11.162   5.387  -0.244
  603   1HG2  VAL  75          HG21      VAL  75 -11.424   7.562  -2.355
  604   2HG2  VAL  75          HG22      VAL  75 -10.094   7.698  -1.199
  605   3HG2  VAL  75          HG23      VAL  75  -9.762   7.714  -2.935
  606    H    LEU  76           HN       LEU  76  -8.044   4.933  -4.066
  607    HA   LEU  76           HA       LEU  76  -6.542   7.416  -4.132
  608   1HB   LEU  76          HB3       LEU  76  -4.730   6.040  -5.423
  609   2HB   LEU  76          HB2       LEU  76  -4.668   6.255  -3.686
  610    HG   LEU  76           HG       LEU  76  -6.054   3.876  -4.769
  611   1HD1  LEU  76          HD21      LEU  76  -4.154   3.693  -6.094
  612   2HD1  LEU  76          HD22      LEU  76  -3.122   4.433  -4.878
  613   3HD1  LEU  76          HD23      LEU  76  -3.700   2.783  -4.652
  614   1HD2  LEU  76          HD11      LEU  76  -4.345   4.404  -2.340
  615   2HD2  LEU  76          HD12      LEU  76  -6.093   4.200  -2.378
  616   3HD2  LEU  76          HD13      LEU  76  -5.036   2.833  -2.744
  617    H    GLN  77           HN       GLN  77  -6.757   8.479  -5.940
  618    HA   GLN  77           HA       GLN  77  -8.243   7.187  -8.112
  619   1HB   GLN  77          HB2       GLN  77  -7.742  10.144  -7.697
  620   2HB   GLN  77          HB3       GLN  77  -8.887   9.407  -8.810
  621   1HG   GLN  77          HG2       GLN  77 -10.120   8.495  -6.858
  622   2HG   GLN  77          HG3       GLN  77  -9.026   9.405  -5.809
  623   1HE2  GLN  77          HE21      GLN  77 -10.128  11.036  -4.998
  624   2HE2  GLN  77          HE22      GLN  77 -11.072  12.163  -5.895
  625    HA   PRO  78           HA       PRO  78  -4.228   7.320 -10.140
  626   1HB   PRO  78          HB3       PRO  78  -4.791   5.466 -11.978
  627   2HB   PRO  78          HB2       PRO  78  -4.414   5.049 -10.308
  628   1HG   PRO  78          HG3       PRO  78  -7.069   5.213 -11.670
  629   2HG   PRO  78          HG2       PRO  78  -6.483   4.011 -10.505
  630   1HD   PRO  78          HD2       PRO  78  -8.123   6.116  -9.863
  631   2HD   PRO  78          HD3       PRO  78  -7.022   5.321  -8.713
  632    H    GLN  79           HN       GLN  79  -3.532   8.470 -11.809
  633    HA   GLN  79           HA       GLN  79  -5.436   9.729 -13.664
  634   1HB   GLN  79          HB2       GLN  79  -2.407   9.863 -13.753
  635   2HB   GLN  79          HB3       GLN  79  -3.553  11.002 -14.449
  636   1HG   GLN  79          HG3       GLN  79  -4.247  11.622 -12.146
  637   2HG   GLN  79          HG2       GLN  79  -2.980  10.569 -11.527
  638   1HE2  GLN  79          HE21      GLN  79  -3.722  13.668 -12.284
  639   2HE2  GLN  79          HE22      GLN  79  -2.137  14.300 -12.528
  640    H    GLU  80           HN       GLU  80  -3.085   7.497 -13.158
  641    HA   GLU  80           HA       GLU  80  -2.125   5.736 -14.103
  642   1HB   GLU  80          HB2       GLU  80  -3.762   4.029 -14.684
  643   2HB   GLU  80          HB3       GLU  80  -4.174   4.917 -13.228
  644   1HG   GLU  80          HG3       GLU  80  -6.200   5.113 -14.094
  645   2HG   GLU  80          HG2       GLU  80  -5.502   6.307 -15.186
  646    HA   PRO  81           HA       PRO  81  -1.493   5.741 -18.504
  647   1HB   PRO  81          HB3       PRO  81   1.080   4.967 -18.293
  648   2HB   PRO  81          HB2       PRO  81   0.633   6.631 -17.952
  649   1HG   PRO  81          HG3       PRO  81   1.508   4.521 -16.108
  650   2HG   PRO  81          HG2       PRO  81   1.433   6.277 -15.848
  651   1HD   PRO  81          HD2       PRO  81  -0.478   4.217 -15.062
  652   2HD   PRO  81          HD3       PRO  81  -0.413   5.922 -14.572
  653    H    GLY  82           HN       GLY  82  -2.271   3.955 -16.193
  654   1HA   GLY  82          HA1       GLY  82  -3.188   1.628 -17.012
  655   2HA   GLY  82          HA2       GLY  82  -1.478   1.242 -16.780
  656    H    LEU  83           HN       LEU  83  -4.446   1.389 -15.189
  657    HA   LEU  83           HA       LEU  83  -3.819   0.537 -12.705
  658   1HB   LEU  83          HB3       LEU  83  -2.594   3.037 -12.866
  659   2HB   LEU  83          HB2       LEU  83  -4.084   3.394 -12.020
  660    HG   LEU  83           HG       LEU  83  -2.082   1.314 -11.129
  661   1HD1  LEU  83          HD21      LEU  83  -2.313   4.224 -10.706
  662   2HD1  LEU  83          HD22      LEU  83  -1.985   3.251  -9.273
  663   3HD1  LEU  83          HD23      LEU  83  -0.888   3.177 -10.657
  664   1HD2  LEU  83          HD11      LEU  83  -3.514   1.940  -8.957
  665   2HD2  LEU  83          HD12      LEU  83  -4.747   2.193 -10.191
  666   3HD2  LEU  83          HD13      LEU  83  -3.953   0.623 -10.046
  667    HA   PRO  84           HA       PRO  84  -8.283   1.387 -12.855
  668   1HB   PRO  84          HB3       PRO  84  -8.770  -0.869 -11.210
  669   2HB   PRO  84          HB2       PRO  84  -8.904  -0.796 -12.968
  670   1HG   PRO  84          HG2       PRO  84  -7.041  -2.298 -11.530
  671   2HG   PRO  84          HG3       PRO  84  -6.948  -1.900 -13.250
  672   1HD   PRO  84          HD2       PRO  84  -5.561  -0.636 -10.939
  673   2HD   PRO  84          HD3       PRO  84  -4.986  -0.896 -12.600
  674    H    SER  85           HN       SER  85 -10.028   1.541 -10.989
  675    HA   SER  85           HA       SER  85  -8.858   3.088  -8.912
  676   1HB   SER  85          HB3       SER  85 -11.706   2.078  -9.100
  677   2HB   SER  85          HB2       SER  85 -11.125   3.453  -8.160
  678    HG   SER  85           HG       SER  85 -10.995   4.649  -9.919
  679    H    PHE  86           HN       PHE  86  -7.859   2.289  -7.308
  680    HA   PHE  86           HA       PHE  86  -8.632  -0.270  -6.117
  681   1HB   PHE  86          HB3       PHE  86  -6.392  -0.430  -6.709
  682   2HB   PHE  86          HB2       PHE  86  -6.084   1.272  -6.402
  683    HD1  PHE  86           HD1      PHE  86  -7.082  -1.736  -4.393
  684    HD2  PHE  86           HD2      PHE  86  -4.659   1.729  -4.752
  685    HE1  PHE  86           HE1      PHE  86  -5.989  -2.270  -2.251
  686    HE2  PHE  86           HE2      PHE  86  -3.567   1.206  -2.624
  687    HZ   PHE  86           HZ       PHE  86  -4.229  -0.778  -1.373
  688    H    ARG  87           HN       ARG  87  -8.908  -0.411  -3.864
  689    HA   ARG  87           HA       ARG  87  -8.924   2.012  -2.279
  690   1HB   ARG  87          HB2       ARG  87 -11.392   0.389  -2.923
  691   2HB   ARG  87          HB3       ARG  87 -11.298   1.400  -1.490
  692   1HG   ARG  87          HG3       ARG  87 -12.121   3.024  -2.763
  693   2HG   ARG  87          HG2       ARG  87 -10.528   3.093  -3.518
  694   1HD   ARG  87          HD2       ARG  87 -12.315   2.960  -5.178
  695   2HD   ARG  87          HD3       ARG  87 -11.248   1.558  -5.250
  696    HE   ARG  87           HE       ARG  87 -13.367   0.873  -3.591
  697   1HH1  ARG  87          HH12      ARG  87 -14.081   2.370  -6.761
  698   2HH1  ARG  87          HH11      ARG  87 -13.750   0.846  -7.531
  699   1HH2  ARG  87          HH21      ARG  87 -15.153  -0.302  -4.341
  700   2HH2  ARG  87          HH22      ARG  87 -15.573  -0.273  -6.031
  701    H    ILE  88           HN       ILE  88  -9.074   1.519   0.019
  702    HA   ILE  88           HA       ILE  88  -8.760  -1.330   0.644
  703    HB   ILE  88           HB       ILE  88  -7.095  -0.527   2.474
  704   1HG1  ILE  88          HG12      ILE  88  -6.712   1.604   0.357
  705   2HG1  ILE  88          HG13      ILE  88  -7.253   1.870   2.014
  706   1HG2  ILE  88          HG21      ILE  88  -6.239  -2.092   1.082
  707   2HG2  ILE  88          HG22      ILE  88  -6.658  -1.193  -0.375
  708   3HG2  ILE  88          HG23      ILE  88  -5.259  -0.713   0.585
  709   1HD1  ILE  88          HD11      ILE  88  -5.151   1.278   2.899
  710   2HD1  ILE  88          HD12      ILE  88  -4.595   0.647   1.345
  711   3HD1  ILE  88          HD13      ILE  88  -4.844   2.382   1.557
  712    H    LYS  89           HN       LYS  89  -9.657  -2.044   2.521
  713    HA   LYS  89           HA       LYS  89 -10.840  -0.011   4.300
  714   1HB   LYS  89          HB2       LYS  89 -12.340  -2.264   2.964
  715   2HB   LYS  89          HB3       LYS  89 -12.939  -1.440   4.393
  716   1HG   LYS  89          HG3       LYS  89 -12.241   0.478   2.379
  717   2HG   LYS  89          HG2       LYS  89 -13.328  -0.747   1.713
  718   1HD   LYS  89          HD2       LYS  89 -14.651   1.052   2.588
  719   2HD   LYS  89          HD3       LYS  89 -14.851  -0.353   3.635
  720   1HE   LYS  89          HE2       LYS  89 -13.312   0.564   5.243
  721   2HE   LYS  89          HE3       LYS  89 -12.924   1.907   4.167
  722   1HZ   LYS  89          HZ1       LYS  89 -14.680   2.116   6.105
  723   2HZ   LYS  89          HZ2       LYS  89 -15.731   1.557   4.904
  724   3HZ   LYS  89          HZ3       LYS  89 -14.838   2.970   4.656
  725    HA   PRO  90           HA       PRO  90  -9.378  -2.945   7.317
  726   1HB   PRO  90          HB3       PRO  90 -10.472  -1.796   9.504
  727   2HB   PRO  90          HB2       PRO  90  -9.073  -1.110   8.682
  728   1HG   PRO  90          HG2       PRO  90 -11.918  -0.270   8.595
  729   2HG   PRO  90          HG3       PRO  90 -10.456   0.723   8.522
  730   1HD   PRO  90          HD3       PRO  90 -12.021   0.001   6.347
  731   2HD   PRO  90          HD2       PRO  90 -10.333   0.557   6.263
  732    H    LYS  91           HN       LYS  91 -10.967  -4.379   6.135
  733    HA   LYS  91           HA       LYS  91 -13.578  -4.767   7.210
  734   1HB   LYS  91          HB2       LYS  91 -12.233  -5.435   4.877
  735   2HB   LYS  91          HB3       LYS  91 -12.471  -6.969   5.695
  736   1HG   LYS  91          HG2       LYS  91 -14.638  -4.999   5.009
  737   2HG   LYS  91          HG3       LYS  91 -14.274  -6.478   4.124
  738   1HD   LYS  91          HD2       LYS  91 -14.714  -7.734   6.259
  739   2HD   LYS  91          HD3       LYS  91 -15.329  -6.211   6.923
  740   1HE   LYS  91          HE3       LYS  91 -16.966  -6.094   5.108
  741   2HE   LYS  91          HE2       LYS  91 -16.361  -7.611   4.454
  742   1HZ   LYS  91          HZ1       LYS  91 -17.515  -8.790   5.936
  743   2HZ   LYS  91          HZ2       LYS  91 -18.407  -7.373   6.195
  744   3HZ   LYS  91          HZ3       LYS  91 -17.120  -7.764   7.228
  745    H    ASP  92           HN       ASP  92 -12.712  -4.948   9.347
  746    HA   ASP  92           HA       ASP  92 -12.281  -6.038  11.286
  747   1HB   ASP  92          HB3       ASP  92 -14.329  -7.182  10.622
  748   2HB   ASP  92          HB2       ASP  92 -13.392  -8.377   9.732
  749    H    PHE  93           HN       PHE  93 -11.587  -8.829   9.224
  750    HA   PHE  93           HA       PHE  93  -9.788 -10.171   8.958
  751   1HB   PHE  93          HB2       PHE  93  -8.689  -7.879   8.462
  752   2HB   PHE  93          HB3       PHE  93  -7.974  -8.045  10.062
  753    HD1  PHE  93           HD1      PHE  93  -6.846 -10.471  10.450
  754    HD2  PHE  93           HD2      PHE  93  -7.503  -8.583   6.698
  755    HE1  PHE  93           HE1      PHE  93  -5.070 -11.855   9.449
  756    HE2  PHE  93           HE2      PHE  93  -5.740  -9.959   5.690
  757    HZ   PHE  93           HZ       PHE  93  -4.519 -11.598   7.062
  758    H    GLU  94           HN       GLU  94  -8.698  -8.298  11.776
  759    HA   GLU  94           HA       GLU  94  -9.563 -10.063  13.739
  760   1HB   GLU  94          HB2       GLU  94  -7.512 -11.162  14.448
  761   2HB   GLU  94          HB3       GLU  94  -7.917 -11.641  12.809
  762   1HG   GLU  94          HG3       GLU  94  -6.231 -10.084  11.945
  763   2HG   GLU  94          HG2       GLU  94  -5.803  -9.655  13.607
  764    H    THR  95           HN       THR  95  -7.006  -7.869  12.735
  765    HA   THR  95           HA       THR  95  -7.510  -6.232  15.106
  766    HB   THR  95           HB       THR  95  -4.970  -5.896  15.214
  767    HG1  THR  95           HG1      THR  95  -3.718  -7.367  14.231
  768   1HG2  THR  95          HG21      THR  95  -6.176  -7.212  16.908
  769   2HG2  THR  95          HG22      THR  95  -4.551  -7.820  16.586
  770   3HG2  THR  95          HG23      THR  95  -5.952  -8.651  15.913
  771    H    SER  96           HN       SER  96  -8.107  -6.099  12.183
  772    HA   SER  96           HA       SER  96  -6.447  -4.209  10.904
  773   1HB   SER  96          HB2       SER  96  -8.280  -5.723   9.883
  774   2HB   SER  96          HB3       SER  96  -9.408  -4.463  10.383
  775    HG   SER  96           HG       SER  96  -7.300  -4.304   8.505
  776    H    GLU  97           HN       GLU  97  -8.943  -3.944  13.281
  777    HA   GLU  97           HA       GLU  97  -9.660  -1.251  12.949
  778   1HB   GLU  97          HB2       GLU  97  -9.593  -2.970  15.430
  779   2HB   GLU  97          HB3       GLU  97 -10.307  -1.359  15.372
  780   1HG   GLU  97          HG2       GLU  97 -11.929  -2.054  13.771
  781   2HG   GLU  97          HG3       GLU  97 -11.131  -3.613  13.562
  782    H    TYR  98           HN       TYR  98  -6.940  -2.736  14.625
  783    HA   TYR  98           HA       TYR  98  -5.980  -0.268  15.752
  784   1HB   TYR  98          HB2       TYR  98  -4.523  -2.887  15.267
  785   2HB   TYR  98          HB3       TYR  98  -3.903  -1.541  16.209
  786    HD1  TYR  98           HD1      TYR  98  -5.616  -0.788  18.183
  787    HD2  TYR  98           HD2      TYR  98  -5.362  -4.663  16.439
  788    HE1  TYR  98           HE1      TYR  98  -6.599  -1.767  20.216
  789    HE2  TYR  98           HE2      TYR  98  -6.352  -5.644  18.462
  790    HH   TYR  98           HH       TYR  98  -7.041  -5.283  20.541
  791    H    VAL  99           HN       VAL  99  -5.572  -2.135  12.855
  792    HA   VAL  99           HA       VAL  99  -3.301  -0.849  11.756
  793    HB   VAL  99           HB       VAL  99  -5.565  -2.363  10.428
  794   1HG1  VAL  99          HG21      VAL  99  -3.523  -2.743   8.758
  795   2HG1  VAL  99          HG22      VAL  99  -4.706  -1.451   8.558
  796   3HG1  VAL  99          HG23      VAL  99  -3.144  -1.111   9.304
  797   1HG2  VAL  99          HG11      VAL  99  -3.208  -3.174  11.922
  798   2HG2  VAL  99          HG12      VAL  99  -4.636  -4.104  11.463
  799   3HG2  VAL  99          HG13      VAL  99  -3.303  -3.915  10.323
  800    H    ARG 100           HN       ARG 100  -6.760  -0.400  11.362
  801    HA   ARG 100           HA       ARG 100  -6.999   1.446   9.373
  802   1HB   ARG 100          HB3       ARG 100  -8.837   0.382  10.644
  803   2HB   ARG 100          HB2       ARG 100  -8.480   1.429  12.007
  804   1HG   ARG 100          HG2       ARG 100  -9.083   3.383  10.672
  805   2HG   ARG 100          HG3       ARG 100  -9.453   2.328   9.306
  806   1HD   ARG 100          HD2       ARG 100 -11.248   1.293  10.470
  807   2HD   ARG 100          HD3       ARG 100 -10.775   2.047  11.991
  808    HE   ARG 100           HE       ARG 100 -11.345   4.084  10.187
  809   1HH1  ARG 100          HH12      ARG 100 -13.231   1.869  12.393
  810   2HH1  ARG 100          HH11      ARG 100 -14.471   1.941  11.170
  811   1HH2  ARG 100          HH21      ARG 100 -13.434   5.296  11.191
  812   2HH2  ARG 100          HH22      ARG 100 -14.678   4.332  10.458
  813    H    LYS 101           HN       LYS 101  -6.567   2.244  12.824
  814    HA   LYS 101           HA       LYS 101  -6.261   5.033  12.332
  815   1HB   LYS 101          HB3       LYS 101  -5.854   3.303  14.755
  816   2HB   LYS 101          HB2       LYS 101  -5.319   4.975  14.758
  817   1HG   LYS 101          HG3       LYS 101  -7.486   4.781  15.785
  818   2HG   LYS 101          HG2       LYS 101  -7.594   5.714  14.295
  819   1HD   LYS 101          HD2       LYS 101  -8.449   3.749  13.123
  820   2HD   LYS 101          HD3       LYS 101  -8.309   2.800  14.604
  821   1HE   LYS 101          HE3       LYS 101 -10.113   5.168  14.132
  822   2HE   LYS 101          HE2       LYS 101 -10.596   3.483  14.309
  823   1HZ   LYS 101          HZ1       LYS 101 -10.974   4.253  16.401
  824   2HZ   LYS 101          HZ2       LYS 101  -9.723   5.400  16.349
  825   3HZ   LYS 101          HZ3       LYS 101  -9.362   3.754  16.586
  826    H    ALA 102           HN       ALA 102  -3.965   2.397  12.888
  827    HA   ALA 102           HA       ALA 102  -1.655   3.968  13.131
  828   1HB   ALA 102          HB1       ALA 102  -0.783   1.987  13.573
  829   2HB   ALA 102          HB2       ALA 102  -2.270   1.207  13.023
  830   3HB   ALA 102          HB3       ALA 102  -0.964   1.522  11.876
  831    H    TRP 103           HN       TRP 103  -3.100   2.485  10.233
  832    HA   TRP 103           HA       TRP 103  -1.021   3.454   8.554
  833   1HB   TRP 103          HB3       TRP 103  -3.633   2.098   8.125
  834   2HB   TRP 103          HB2       TRP 103  -2.816   2.844   6.737
  835    HD1  TRP 103           HD1      TRP 103  -1.885   0.402   9.629
  836    HE1  TRP 103           HE1      TRP 103  -0.180  -1.299   8.711
  837    HE3  TRP 103           HE3      TRP 103  -1.432   2.205   4.897
  838    HZ2  TRP 103           HZ2      TRP 103   1.216  -1.758   6.291
  839    HZ3  TRP 103           HZ3      TRP 103   0.129   1.110   3.353
  840    HH2  TRP 103           HH2      TRP 103   1.418  -0.835   4.020
  841    H    LEU 104           HN       LEU 104  -3.905   4.883   9.787
  842    HA   LEU 104           HA       LEU 104  -4.249   6.949   7.854
  843   1HB   LEU 104          HB2       LEU 104  -5.668   6.127  10.005
  844   2HB   LEU 104          HB3       LEU 104  -4.828   7.506  10.687
  845    HG   LEU 104           HG       LEU 104  -5.713   8.834   8.703
  846   1HD1  LEU 104          HD11      LEU 104  -6.786   7.715   7.127
  847   2HD1  LEU 104          HD12      LEU 104  -6.698   6.228   8.080
  848   3HD1  LEU 104          HD13      LEU 104  -8.056   7.339   8.290
  849   1HD2  LEU 104          HD21      LEU 104  -6.692   9.448  10.684
  850   2HD2  LEU 104          HD22      LEU 104  -8.092   8.842   9.796
  851   3HD2  LEU 104          HD23      LEU 104  -7.310   7.824  11.009
  852    H    ARG 105           HN       ARG 105  -1.990   6.204  10.110
  853    HA   ARG 105           HA       ARG 105  -1.030   8.889  10.696
  854   1HB   ARG 105          HB2       ARG 105   0.175   6.189  11.345
  855   2HB   ARG 105          HB3       ARG 105   0.914   7.721  11.778
  856   1HG   ARG 105          HG2       ARG 105  -1.882   7.270  12.631
  857   2HG   ARG 105          HG3       ARG 105  -0.616   6.357  13.453
  858   1HD   ARG 105          HD3       ARG 105  -1.145   8.463  14.607
  859   2HD   ARG 105          HD2       ARG 105   0.525   8.407  14.043
  860    HE   ARG 105           HE       ARG 105  -1.056   9.673  12.094
  861   1HH1  ARG 105          HH12      ARG 105  -1.199  10.905  15.363
  862   2HH1  ARG 105          HH11      ARG 105   0.503  11.254  15.291
  863   1HH2  ARG 105          HH22      ARG 105  -1.357  12.401  12.523
  864   2HH2  ARG 105          HH21      ARG 105   0.388  12.429  12.401
  865    H    ASP 106           HN       ASP 106   0.074   6.078   8.892
  866    HA   ASP 106           HA       ASP 106   2.312   7.372   7.657
  867   1HB   ASP 106          HB2       ASP 106   0.893   4.770   7.262
  868   2HB   ASP 106          HB3       ASP 106   2.209   5.260   6.195
  869    H    ILE 107           HN       ILE 107  -0.436   8.396   7.330
  870    HA   ILE 107           HA       ILE 107  -0.371   8.757   4.431
  871    HB   ILE 107           HB       ILE 107  -2.783   8.082   6.112
  872   1HG1  ILE 107          HG13      ILE 107  -1.864   6.996   3.447
  873   2HG1  ILE 107          HG12      ILE 107  -1.320   6.325   4.977
  874   1HG2  ILE 107          HG21      ILE 107  -2.736   9.280   3.351
  875   2HG2  ILE 107          HG22      ILE 107  -4.155   8.584   4.128
  876   3HG2  ILE 107          HG23      ILE 107  -3.397  10.022   4.809
  877   1HD1  ILE 107          HD11      ILE 107  -4.007   6.294   5.297
  878   2HD1  ILE 107          HD12      ILE 107  -3.844   6.000   3.568
  879   3HD1  ILE 107          HD13      ILE 107  -3.033   4.943   4.721
  880    H    ALA 108           HN       ALA 108  -1.662   9.841   7.519
  881    HA   ALA 108           HA       ALA 108  -2.119  12.549   6.793
  882   1HB   ALA 108          HB1       ALA 108  -3.197  11.762   8.760
  883   2HB   ALA 108          HB2       ALA 108  -1.664  11.225   9.463
  884   3HB   ALA 108          HB3       ALA 108  -2.004  12.949   9.291
  885    H    GLU 109           HN       GLU 109   0.652  10.728   7.333
  886    HA   GLU 109           HA       GLU 109   2.453  12.849   6.770
  887   1HB   GLU 109          HB3       GLU 109   3.833  12.499   8.863
  888   2HB   GLU 109          HB2       GLU 109   2.330  13.381   9.094
  889   1HG   GLU 109          HG2       GLU 109   1.275  11.297   9.866
  890   2HG   GLU 109          HG3       GLU 109   2.838  10.492   9.750
  891    H    GLU 110           HN       GLU 110   2.471  11.280   5.094
  892    HA   GLU 110           HA       GLU 110   3.333   8.624   5.443
  893   1HB   GLU 110          HB2       GLU 110   3.607   8.648   2.971
  894   2HB   GLU 110          HB3       GLU 110   2.033   9.208   3.522
  895   1HG   GLU 110          HG2       GLU 110   2.636  11.493   3.109
  896   2HG   GLU 110          HG3       GLU 110   4.294  11.036   2.728
  897    H    GLN 111           HN       GLN 111   5.163   8.690   3.171
  898    HA   GLN 111           HA       GLN 111   7.590   8.612   4.557
  899   1HB   GLN 111          HB3       GLN 111   8.559   8.256   2.246
  900   2HB   GLN 111          HB2       GLN 111   7.348   7.094   2.768
  901   1HG   GLN 111          HG2       GLN 111   5.666   8.187   1.431
  902   2HG   GLN 111          HG3       GLN 111   6.815   9.437   0.956
  903   1HE2  GLN 111          HE21      GLN 111   5.293   6.922  -0.204
  904   2HE2  GLN 111          HE22      GLN 111   6.496   6.058  -1.071
  905    H    GLU 112           HN       GLU 112   7.623  10.754   5.402
  906    HA   GLU 112           HA       GLU 112   7.954  13.045   3.741
  907   1HB   GLU 112          HB2       GLU 112   8.583  12.449   6.619
  908   2HB   GLU 112          HB3       GLU 112   9.136  13.950   5.891
  909   1HG   GLU 112          HG3       GLU 112   6.259  13.070   6.018
  910   2HG   GLU 112          HG2       GLU 112   7.030  14.168   7.158
  911    H    LYS 113           HN       LYS 113   9.921  10.435   4.658
  912    HA   LYS 113           HA       LYS 113  12.498  11.598   4.256
  913   1HB   LYS 113          HB3       LYS 113  11.499   8.755   4.441
  914   2HB   LYS 113          HB2       LYS 113  13.184   9.125   4.091
  915   1HG   LYS 113          HG3       LYS 113  12.888   8.650   6.437
  916   2HG   LYS 113          HG2       LYS 113  13.357  10.334   6.211
  917   1HD   LYS 113          HD2       LYS 113  10.924  10.926   6.371
  918   2HD   LYS 113          HD3       LYS 113  10.623   9.259   6.862
  919   1HE   LYS 113          HE2       LYS 113  12.541  11.110   8.256
  920   2HE   LYS 113          HE3       LYS 113  10.868  10.879   8.756
  921   1HZ   LYS 113          HZ1       LYS 113  11.451   8.432   8.912
  922   2HZ   LYS 113          HZ2       LYS 113  12.121   9.449  10.089
  923   3HZ   LYS 113          HZ3       LYS 113  13.079   8.912   8.797
  924    H    TYR 114           HN       TYR 114  10.032  10.967   2.170
  925    HA   TYR 114           HA       TYR 114  11.260   9.798  -0.072
  926   1HB   TYR 114          HB3       TYR 114   8.846   9.974   0.098
  927   2HB   TYR 114          HB2       TYR 114   8.937  11.731   0.134
  928    HD1  TYR 114           HD1      TYR 114   9.792   8.825  -2.038
  929    HD2  TYR 114           HD2      TYR 114   8.661  12.917  -1.820
  930    HE1  TYR 114           HE1      TYR 114   9.561   8.884  -4.483
  931    HE2  TYR 114           HE2      TYR 114   8.429  12.990  -4.264
  932    HH   TYR 114           HH       TYR 114   9.399  10.260  -6.265
  933    H    ALA 115           HN       ALA 115  11.338  12.949   1.280
  934    HA   ALA 115           HA       ALA 115  13.367  13.785  -0.632
  935   1HB   ALA 115          HB1       ALA 115  11.425  14.805  -1.604
  936   2HB   ALA 115          HB2       ALA 115  10.863  15.363  -0.031
  937   3HB   ALA 115          HB3       ALA 115  12.306  16.073  -0.751
  938    H    ALA 116           HN       ALA 116  14.068  12.858   1.657
  939    HA   ALA 116           HA       ALA 116  13.910  14.579   3.910
  940   1HB   ALA 116          HB1       ALA 116  14.415  12.603   4.798
  941   2HB   ALA 116          HB2       ALA 116  15.034  11.991   3.257
  942   3HB   ALA 116          HB3       ALA 116  16.090  12.920   4.327
  943    H    GLU 117           HN       GLU 117  14.655  16.348   2.137
  944    HA   GLU 117           HA       GLU 117  17.537  16.768   2.548
  945   1HB   GLU 117          HB3       GLU 117  15.750  18.050   0.469
  946   2HB   GLU 117          HB2       GLU 117  17.472  18.334   0.676
  947   1HG   GLU 117          HG3       GLU 117  16.129  15.809  -0.244
  948   2HG   GLU 117          HG2       GLU 117  17.193  16.871  -1.166
  949    H    ARG 118           HN       ARG 118  16.895  17.394   4.693
  950    HA   ARG 118           HA       ARG 118  15.258  19.694   5.107
  951   1HB   ARG 118          HB3       ARG 118  15.883  17.689   6.672
  952   2HB   ARG 118          HB2       ARG 118  17.269  18.682   7.079
  953   1HG   ARG 118          HG3       ARG 118  14.475  19.751   7.292
  954   2HG   ARG 118          HG2       ARG 118  15.219  18.815   8.591
  955   1HD   ARG 118          HD3       ARG 118  17.106  20.432   8.593
  956   2HD   ARG 118          HD2       ARG 118  16.220  21.402   7.418
  957    HE   ARG 118           HE       ARG 118  14.495  21.024   9.547
  958   1HH1  ARG 118          HH12      ARG 118  17.905  22.142  10.031
  959   2HH1  ARG 118          HH11      ARG 118  17.327  23.613   9.305
  960   1HH2  ARG 118          HH22      ARG 118  15.307  22.583  11.967
  961   2HH2  ARG 118          HH21      ARG 118  14.593  23.710  10.850
  962    H    ASP 119           HN       ASP 119  18.742  19.067   5.148
  963    HA   ASP 119           HA       ASP 119  19.391  21.684   4.242
  964   1HB   ASP 119          HB3       ASP 119  18.866  22.058   6.714
  965   2HB   ASP 119          HB2       ASP 119  20.268  21.055   7.064
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1  23.001 -12.768   0.162
    2   2H    MET   1          HT2       MET   1  23.289 -11.583   1.364
    3   3H    MET   1          HT3       MET   1  24.424 -11.785   0.086
    4    HA   MET   1           HA       MET   1  22.879  -9.854  -0.058
    5   1HB   MET   1          HB2       MET   1  24.206 -10.753  -1.920
    6   2HB   MET   1          HB3       MET   1  22.930 -11.909  -2.271
    7   1HG   MET   1          HG3       MET   1  21.389 -10.047  -2.701
    8   2HG   MET   1          HG2       MET   1  22.725  -8.918  -2.483
    9   1HE   MET   1          HE1       MET   1  25.137 -10.187  -5.323
   10   2HE   MET   1          HE2       MET   1  24.786  -8.696  -4.455
   11   3HE   MET   1          HE3       MET   1  25.073 -10.193  -3.562
   12    H    GLY   2           HN       GLY   2  20.929  -9.317   0.538
   13   1HA   GLY   2          HA2       GLY   2  18.724 -11.200  -0.035
   14   2HA   GLY   2          HA1       GLY   2  18.782 -10.194   1.405
   15    H    ASP   3           HN       ASP   3  17.302  -8.600   1.232
   16    HA   ASP   3           HA       ASP   3  17.400  -6.893  -1.137
   17   1HB   ASP   3          HB3       ASP   3  15.588  -8.700  -1.444
   18   2HB   ASP   3          HB2       ASP   3  14.695  -7.826  -0.198
   19    H    THR   4           HN       THR   4  18.179  -5.250   0.074
   20    HA   THR   4           HA       THR   4  16.475  -4.297   2.277
   21    HB   THR   4           HB       THR   4  18.581  -2.960   2.865
   22    HG1  THR   4           HG1      THR   4  19.689  -3.200   0.899
   23   1HG2  THR   4          HG21      THR   4  19.604  -5.616   3.144
   24   2HG2  THR   4          HG22      THR   4  17.881  -5.576   3.508
   25   3HG2  THR   4          HG23      THR   4  18.993  -4.506   4.367
   26    H    GLY   5           HN       GLY   5  17.114  -3.845  -0.922
   27   1HA   GLY   5          HA1       GLY   5  16.960  -0.934  -0.871
   28   2HA   GLY   5          HA2       GLY   5  17.227  -1.933  -2.290
   29    H    LYS   6           HN       LYS   6  15.058  -3.668  -2.135
   30    HA   LYS   6           HA       LYS   6  12.939  -1.765  -2.784
   31   1HB   LYS   6          HB2       LYS   6  13.263  -4.669  -3.505
   32   2HB   LYS   6          HB3       LYS   6  11.894  -3.669  -3.972
   33   1HG   LYS   6          HG3       LYS   6  13.055  -3.384  -5.861
   34   2HG   LYS   6          HG2       LYS   6  13.938  -2.176  -4.925
   35   1HD   LYS   6          HD3       LYS   6  15.725  -3.385  -5.680
   36   2HD   LYS   6          HD2       LYS   6  15.353  -4.317  -4.230
   37   1HE   LYS   6          HE2       LYS   6  14.436  -4.996  -7.028
   38   2HE   LYS   6          HE3       LYS   6  15.711  -5.810  -6.126
   39   1HZ   LYS   6          HZ1       LYS   6  12.868  -5.680  -5.295
   40   2HZ   LYS   6          HZ2       LYS   6  14.107  -6.532  -4.508
   41   3HZ   LYS   6          HZ3       LYS   6  13.595  -7.003  -6.057
   42    H    LEU   7           HN       LEU   7  13.356  -4.841  -1.037
   43    HA   LEU   7           HA       LEU   7  10.669  -4.630   0.034
   44   1HB   LEU   7          HB3       LEU   7  12.826  -6.681   0.487
   45   2HB   LEU   7          HB2       LEU   7  11.172  -6.806   1.054
   46    HG   LEU   7           HG       LEU   7  11.920  -6.601  -1.859
   47   1HD1  LEU   7          HD21      LEU   7  11.973  -8.859  -0.017
   48   2HD1  LEU   7          HD22      LEU   7  11.004  -9.148  -1.457
   49   3HD1  LEU   7          HD23      LEU   7  12.697  -8.683  -1.613
   50   1HD2  LEU   7          HD11      LEU   7   9.745  -6.438  -2.227
   51   2HD2  LEU   7          HD12      LEU   7   9.455  -7.922  -1.313
   52   3HD2  LEU   7          HD13      LEU   7   9.472  -6.354  -0.490
   53    H    GLY   8           HN       GLY   8  12.861  -2.701   0.872
   54   1HA   GLY   8          HA2       GLY   8  13.442  -3.318   3.613
   55   2HA   GLY   8          HA1       GLY   8  13.649  -1.751   2.831
   56    H    ARG   9           HN       ARG   9  11.819  -3.565   4.984
   57    HA   ARG   9           HA       ARG   9   9.284  -2.342   4.707
   58   1HB   ARG   9          HB2       ARG   9  10.567  -3.823   7.001
   59   2HB   ARG   9          HB3       ARG   9   8.884  -3.316   6.979
   60   1HG   ARG   9          HG3       ARG   9   8.294  -4.847   5.396
   61   2HG   ARG   9          HG2       ARG   9   9.929  -4.952   4.733
   62   1HD   ARG   9          HD3       ARG   9   9.372  -6.992   5.933
   63   2HD   ARG   9          HD2       ARG   9  10.679  -6.128   6.742
   64    HE   ARG   9           HE       ARG   9   8.248  -5.356   7.898
   65   1HH1  ARG   9          HH12      ARG   9  10.831  -7.727   8.871
   66   2HH1  ARG   9          HH11      ARG   9   9.639  -8.960   8.601
   67   1HH2  ARG   9          HH22      ARG   9   8.510  -6.525  10.559
   68   2HH2  ARG   9          HH21      ARG   9   7.427  -7.675   9.866
   69    H    ILE  10           HN       ILE  10  10.892  -0.238   4.604
   70    HA   ILE  10           HA       ILE  10  11.370   1.036   7.095
   71    HB   ILE  10           HB       ILE  10  12.742   1.558   5.226
   72   1HG1  ILE  10          HG13      ILE  10  12.422   4.100   5.101
   73   2HG1  ILE  10          HG12      ILE  10  11.003   3.858   6.112
   74   1HG2  ILE  10          HG21      ILE  10  10.452   1.415   3.699
   75   2HG2  ILE  10          HG22      ILE  10  10.885   3.126   3.632
   76   3HG2  ILE  10          HG23      ILE  10  12.056   1.898   3.133
   77   1HD1  ILE  10          HD11      ILE  10  12.699   4.460   7.589
   78   2HD1  ILE  10          HD12      ILE  10  12.566   2.714   7.764
   79   3HD1  ILE  10          HD13      ILE  10  13.881   3.395   6.817
   80    H    ILE  11           HN       ILE  11   8.603   1.030   4.911
   81    HA   ILE  11           HA       ILE  11   7.452   3.273   6.399
   82    HB   ILE  11           HB       ILE  11   6.411   1.977   3.864
   83   1HG1  ILE  11          HG13      ILE  11   7.953   4.561   4.273
   84   2HG1  ILE  11          HG12      ILE  11   8.597   3.100   3.540
   85   1HG2  ILE  11          HG21      ILE  11   4.534   3.093   4.322
   86   2HG2  ILE  11          HG22      ILE  11   5.287   3.902   5.701
   87   3HG2  ILE  11          HG23      ILE  11   5.451   4.581   4.089
   88   1HD1  ILE  11          HD11      ILE  11   6.280   3.775   2.103
   89   2HD1  ILE  11          HD12      ILE  11   7.206   5.258   2.331
   90   3HD1  ILE  11          HD13      ILE  11   7.964   3.860   1.574
   91    H    ARG  12           HN       ARG  12   5.458   0.807   4.888
   92    HA   ARG  12           HA       ARG  12   4.732  -0.376   7.445
   93   1HB   ARG  12          HB2       ARG  12   2.930   1.428   5.881
   94   2HB   ARG  12          HB3       ARG  12   2.234   0.041   6.704
   95   1HG   ARG  12          HG3       ARG  12   2.734   0.862   8.798
   96   2HG   ARG  12          HG2       ARG  12   3.985   1.952   8.189
   97   1HD   ARG  12          HD2       ARG  12   2.178   3.226   7.014
   98   2HD   ARG  12          HD3       ARG  12   1.001   2.191   7.816
   99    HE   ARG  12           HE       ARG  12   1.133   3.655   9.541
  100   1HH1  ARG  12          HH12      ARG  12   4.155   4.817   7.963
  101   2HH1  ARG  12          HH11      ARG  12   4.906   3.590   8.939
  102   1HH2  ARG  12          HH22      ARG  12   3.107   4.586  11.518
  103   2HH2  ARG  12          HH21      ARG  12   2.971   5.965  10.461
  104    H    HIS  13           HN       HIS  13   3.264  -2.208   7.180
  105    HA   HIS  13           HA       HIS  13   2.764  -3.202   4.514
  106   1HB   HIS  13          HB2       HIS  13   4.101  -5.182   4.615
  107   2HB   HIS  13          HB3       HIS  13   5.167  -3.837   4.957
  108    HD1  HIS  13           HD1      HIS  13   5.444  -3.484   7.766
  109    HD2  HIS  13           HD2      HIS  13   4.491  -7.240   6.271
  110    HE1  HIS  13           HE1      HIS  13   5.958  -5.118   9.627
  111    HE2  HIS  13           HE2      HIS  13   5.415  -7.390   8.683
  112    H    ASP  14           HN       ASP  14   0.784  -4.043   4.608
  113    HA   ASP  14           HA       ASP  14   0.078  -5.783   6.817
  114   1HB   ASP  14          HB2       ASP  14  -1.097  -3.076   6.462
  115   2HB   ASP  14          HB3       ASP  14  -2.201  -4.392   6.863
  116    H    ALA  15           HN       ALA  15  -1.932  -6.954   6.472
  117    HA   ALA  15           HA       ALA  15  -2.289  -7.465   3.615
  118   1HB   ALA  15          HB1       ALA  15  -3.738  -9.420   4.703
  119   2HB   ALA  15          HB2       ALA  15  -1.982  -9.517   4.551
  120   3HB   ALA  15          HB3       ALA  15  -2.706  -9.054   6.087
  121    H    PHE  16           HN       PHE  16  -3.886  -6.474   2.576
  122    HA   PHE  16           HA       PHE  16  -6.274  -5.687   4.114
  123   1HB   PHE  16          HB3       PHE  16  -5.022  -4.518   1.630
  124   2HB   PHE  16          HB2       PHE  16  -6.679  -4.154   2.091
  125    HD1  PHE  16           HD1      PHE  16  -4.784  -1.995   1.809
  126    HD2  PHE  16           HD2      PHE  16  -5.557  -4.506   5.146
  127    HE1  PHE  16           HE1      PHE  16  -3.979  -0.218   3.310
  128    HE2  PHE  16           HE2      PHE  16  -4.765  -2.724   6.681
  129    HZ   PHE  16           HZ       PHE  16  -3.967  -0.579   5.755
  130    H    GLN  17           HN       GLN  17  -8.278  -6.263   3.474
  131    HA   GLN  17           HA       GLN  17  -8.496  -8.044   1.145
  132   1HB   GLN  17          HB2       GLN  17  -8.558  -9.069   3.570
  133   2HB   GLN  17          HB3       GLN  17 -10.180  -8.407   3.616
  134   1HG   GLN  17          HG2       GLN  17  -9.231 -10.298   1.491
  135   2HG   GLN  17          HG3       GLN  17  -9.986 -10.819   2.999
  136   1HE2  GLN  17          HE21      GLN  17 -10.619 -10.485  -0.084
  137   2HE2  GLN  17          HE22      GLN  17 -12.332 -10.331   0.056
  138    H    VAL  18           HN       VAL  18  -9.154  -6.172   0.005
  139    HA   VAL  18           HA       VAL  18 -11.826  -5.219   0.776
  140    HB   VAL  18           HB       VAL  18 -10.450  -3.392  -0.961
  141   1HG1  VAL  18          HG21      VAL  18 -12.051  -3.456   1.494
  142   2HG1  VAL  18          HG22      VAL  18 -10.880  -2.137   1.428
  143   3HG1  VAL  18          HG23      VAL  18 -12.083  -2.314   0.150
  144   1HG2  VAL  18          HG11      VAL  18  -9.039  -2.871   1.379
  145   2HG2  VAL  18          HG12      VAL  18  -8.830  -4.597   1.100
  146   3HG2  VAL  18          HG13      VAL  18  -8.378  -3.443  -0.152
  147    H    TRP  19           HN       TRP  19 -12.334  -3.682  -1.399
  148    HA   TRP  19           HA       TRP  19 -12.959  -5.700  -3.405
  149   1HB   TRP  19          HB2       TRP  19 -14.029  -2.892  -3.029
  150   2HB   TRP  19          HB3       TRP  19 -14.654  -4.097  -4.150
  151    HD1  TRP  19           HD1      TRP  19 -16.093  -6.140  -3.060
  152    HE1  TRP  19           HE1      TRP  19 -17.340  -6.322  -0.815
  153    HE3  TRP  19           HE3      TRP  19 -13.907  -2.254  -0.566
  154    HZ2  TRP  19           HZ2      TRP  19 -17.377  -5.039   1.675
  155    HZ3  TRP  19           HZ3      TRP  19 -14.590  -1.815   1.773
  156    HH2  TRP  19           HH2      TRP  19 -16.304  -3.185   2.863
  157    H    GLU  20           HN       GLU  20 -10.969  -5.779  -4.483
  158    HA   GLU  20           HA       GLU  20 -10.249  -3.336  -5.972
  159   1HB   GLU  20          HB3       GLU  20  -8.314  -3.714  -4.831
  160   2HB   GLU  20          HB2       GLU  20  -8.616  -5.431  -4.652
  161   1HG   GLU  20          HG2       GLU  20  -6.709  -5.247  -6.008
  162   2HG   GLU  20          HG3       GLU  20  -8.030  -5.681  -7.085
  163    H    GLY  21           HN       GLY  21 -11.027  -3.445  -7.886
  164   1HA   GLY  21          HA2       GLY  21 -10.460  -4.652 -10.083
  165   2HA   GLY  21          HA1       GLY  21 -11.256  -6.013  -9.297
  166    H    ASP  22           HN       ASP  22 -13.067  -6.214 -10.459
  167    HA   ASP  22           HA       ASP  22 -14.645  -3.859 -11.107
  168   1HB   ASP  22          HB3       ASP  22 -14.267  -6.003 -12.609
  169   2HB   ASP  22          HB2       ASP  22 -15.599  -6.649 -11.653
  170    H    GLU  23           HN       GLU  23 -14.303  -4.639  -8.361
  171    HA   GLU  23           HA       GLU  23 -15.759  -4.060  -6.637
  172   1HB   GLU  23          HB3       GLU  23 -17.730  -4.040  -8.071
  173   2HB   GLU  23          HB2       GLU  23 -17.803  -5.791  -7.973
  174   1HG   GLU  23          HG2       GLU  23 -18.145  -5.650  -5.545
  175   2HG   GLU  23          HG3       GLU  23 -18.065  -3.887  -5.639
  176    HA   PRO  24           HA       PRO  24 -16.148  -8.888  -5.479
  177   1HB   PRO  24          HB3       PRO  24 -13.968  -9.707  -7.342
  178   2HB   PRO  24          HB2       PRO  24 -15.338 -10.646  -6.727
  179   1HG   PRO  24          HG2       PRO  24 -15.367  -9.661  -9.192
  180   2HG   PRO  24          HG3       PRO  24 -16.845  -9.654  -8.187
  181   1HD   PRO  24          HD2       PRO  24 -15.039  -7.396  -8.918
  182   2HD   PRO  24          HD3       PRO  24 -16.793  -7.403  -8.642
  183    HA   PRO  25           HA       PRO  25 -12.835  -7.560  -2.877
  184   1HB   PRO  25          HB3       PRO  25 -13.415  -9.296  -0.851
  185   2HB   PRO  25          HB2       PRO  25 -14.275  -7.776  -1.123
  186   1HG   PRO  25          HG2       PRO  25 -15.079 -10.561  -1.793
  187   2HG   PRO  25          HG3       PRO  25 -16.074  -9.203  -1.259
  188   1HD   PRO  25          HD3       PRO  25 -15.918 -10.046  -3.856
  189   2HD   PRO  25          HD2       PRO  25 -16.319  -8.383  -3.378
  190    H    LYS  26           HN       LYS  26 -10.774  -8.228  -2.473
  191    HA   LYS  26           HA       LYS  26 -10.100 -11.070  -2.571
  192   1HB   LYS  26          HB3       LYS  26  -8.852  -9.033  -4.422
  193   2HB   LYS  26          HB2       LYS  26  -8.251 -10.668  -4.193
  194   1HG   LYS  26          HG2       LYS  26 -10.364 -11.562  -5.082
  195   2HG   LYS  26          HG3       LYS  26 -10.964  -9.918  -5.282
  196   1HD   LYS  26          HD2       LYS  26  -9.096  -9.437  -6.804
  197   2HD   LYS  26          HD3       LYS  26  -8.590 -11.121  -6.716
  198   1HE   LYS  26          HE2       LYS  26 -11.171  -9.981  -7.786
  199   2HE   LYS  26          HE3       LYS  26  -9.912 -10.785  -8.724
  200   1HZ   LYS  26          HZ1       LYS  26 -11.426 -12.476  -8.484
  201   2HZ   LYS  26          HZ2       LYS  26 -11.979 -11.920  -6.980
  202   3HZ   LYS  26          HZ3       LYS  26 -10.503 -12.747  -7.082
  203    H    LEU  27           HN       LEU  27  -8.100 -11.566  -1.658
  204    HA   LEU  27           HA       LEU  27  -7.238  -9.700   0.412
  205   1HB   LEU  27          HB3       LEU  27  -7.736 -12.171   0.727
  206   2HB   LEU  27          HB2       LEU  27  -6.265 -12.510  -0.166
  207    HG   LEU  27           HG       LEU  27  -6.194 -12.616   2.393
  208   1HD1  LEU  27          HD21      LEU  27  -3.951 -12.061   2.466
  209   2HD1  LEU  27          HD22      LEU  27  -4.214 -12.449   0.760
  210   3HD1  LEU  27          HD23      LEU  27  -4.130 -10.768   1.267
  211   1HD2  LEU  27          HD11      LEU  27  -7.384 -10.527   2.789
  212   2HD2  LEU  27          HD12      LEU  27  -5.813 -10.597   3.582
  213   3HD2  LEU  27          HD13      LEU  27  -6.016  -9.637   2.113
  214    H    ARG  28           HN       ARG  28  -5.268  -8.633   0.465
  215    HA   ARG  28           HA       ARG  28  -3.180  -9.407  -1.390
  216   1HB   ARG  28          HB3       ARG  28  -3.034  -6.968  -2.198
  217   2HB   ARG  28          HB2       ARG  28  -4.214  -8.039  -2.941
  218   1HG   ARG  28          HG3       ARG  28  -5.923  -7.095  -1.407
  219   2HG   ARG  28          HG2       ARG  28  -4.713  -5.914  -0.885
  220   1HD   ARG  28          HD3       ARG  28  -6.260  -5.132  -2.704
  221   2HD   ARG  28          HD2       ARG  28  -4.543  -5.015  -3.093
  222    HE   ARG  28           HE       ARG  28  -4.925  -6.421  -4.833
  223   1HH1  ARG  28          HH12      ARG  28  -7.775  -7.529  -2.626
  224   2HH1  ARG  28          HH11      ARG  28  -8.465  -6.728  -4.012
  225   1HH2  ARG  28          HH22      ARG  28  -6.296  -7.719  -6.230
  226   2HH2  ARG  28          HH21      ARG  28  -6.658  -9.121  -5.273
  227    H    TYR  29           HN       TYR  29  -1.202  -8.947  -0.716
  228    HA   TYR  29           HA       TYR  29  -0.939  -7.775   1.919
  229   1HB   TYR  29          HB2       TYR  29   1.098  -9.038   0.051
  230   2HB   TYR  29          HB3       TYR  29   1.495  -8.400   1.639
  231    HD1  TYR  29           HD1      TYR  29  -1.148 -10.742   0.280
  232    HD2  TYR  29           HD2      TYR  29   1.888 -10.017   3.183
  233    HE1  TYR  29           HE1      TYR  29  -1.595 -12.949   1.304
  234    HE2  TYR  29           HE2      TYR  29   1.436 -12.199   4.215
  235    HH   TYR  29           HH       TYR  29  -0.876 -14.464   2.802
  236    H    VAL  30           HN       VAL  30  -1.288  -5.548   1.720
  237    HA   VAL  30           HA       VAL  30   0.169  -4.091  -0.335
  238    HB   VAL  30           HB       VAL  30  -1.660  -2.945   1.780
  239   1HG1  VAL  30          HG21      VAL  30  -0.314  -1.874  -0.647
  240   2HG1  VAL  30          HG22      VAL  30  -1.861  -1.195  -0.124
  241   3HG1  VAL  30          HG23      VAL  30  -0.467  -1.173   0.963
  242   1HG2  VAL  30          HG11      VAL  30  -3.421  -3.666   0.640
  243   2HG2  VAL  30          HG12      VAL  30  -2.761  -3.030  -0.879
  244   3HG2  VAL  30          HG13      VAL  30  -2.328  -4.649  -0.328
  245    H    PHE  31           HN       PHE  31   2.128  -3.314  -0.018
  246    HA   PHE  31           HA       PHE  31   2.843  -2.306   2.643
  247   1HB   PHE  31          HB2       PHE  31   5.216  -3.313   1.365
  248   2HB   PHE  31          HB3       PHE  31   4.587  -3.693   2.959
  249    HD1  PHE  31           HD1      PHE  31   4.282  -4.640  -0.628
  250    HD2  PHE  31           HD2      PHE  31   3.873  -5.846   3.433
  251    HE1  PHE  31           HE1      PHE  31   3.918  -6.962  -1.353
  252    HE2  PHE  31           HE2      PHE  31   3.488  -8.166   2.715
  253    HZ   PHE  31           HZ       PHE  31   3.499  -8.721   0.315
  254    H    LEU  32           HN       LEU  32   4.083  -0.496   2.635
  255    HA   LEU  32           HA       LEU  32   4.471   0.708  -0.014
  256   1HB   LEU  32          HB2       LEU  32   4.704   2.327   2.481
  257   2HB   LEU  32          HB3       LEU  32   4.145   2.793   0.891
  258    HG   LEU  32           HG       LEU  32   2.544   1.181   2.889
  259   1HD1  LEU  32          HD11      LEU  32   1.423   3.732   2.178
  260   2HD1  LEU  32          HD12      LEU  32   1.846   3.095   3.763
  261   3HD1  LEU  32          HD13      LEU  32   3.062   3.936   2.791
  262   1HD2  LEU  32          HD21      LEU  32   1.083   0.759   1.267
  263   2HD2  LEU  32          HD22      LEU  32   1.051   2.460   0.815
  264   3HD2  LEU  32          HD23      LEU  32   2.262   1.394   0.118
  265    H    PHE  33           HN       PHE  33   6.510   0.853  -0.725
  266    HA   PHE  33           HA       PHE  33   8.632   0.792   1.312
  267   1HB   PHE  33          HB3       PHE  33   8.606  -0.667  -1.336
  268   2HB   PHE  33          HB2       PHE  33  10.012  -0.549  -0.282
  269    HD1  PHE  33           HD1      PHE  33   8.786  -0.929   2.362
  270    HD2  PHE  33           HD2      PHE  33   8.073  -2.874  -1.357
  271    HE1  PHE  33           HE1      PHE  33   8.067  -2.963   3.560
  272    HE2  PHE  33           HE2      PHE  33   7.334  -4.889  -0.178
  273    HZ   PHE  33           HZ       PHE  33   7.338  -4.946   2.286
  274    H    ARG  34           HN       ARG  34  10.133   2.303   1.189
  275    HA   ARG  34           HA       ARG  34  11.361   4.076   0.514
  276   1HB   ARG  34          HB2       ARG  34  10.774   2.993  -2.242
  277   2HB   ARG  34          HB3       ARG  34  11.962   4.234  -1.872
  278   1HG   ARG  34          HG3       ARG  34  13.195   2.633  -0.514
  279   2HG   ARG  34          HG2       ARG  34  12.013   1.390  -0.920
  280   1HD   ARG  34          HD2       ARG  34  14.011   1.243  -2.337
  281   2HD   ARG  34          HD3       ARG  34  12.563   1.593  -3.279
  282    HE   ARG  34           HE       ARG  34  13.814   4.008  -2.584
  283   1HH1  ARG  34          HH12      ARG  34  15.328   1.468  -5.015
  284   2HH1  ARG  34          HH11      ARG  34  13.877   2.057  -5.787
  285   1HH2  ARG  34          HH21      ARG  34  15.695   4.865  -4.154
  286   2HH2  ARG  34          HH22      ARG  34  14.767   4.672  -5.620
  287    H    ASN  35           HN       ASN  35   9.837   4.436  -2.522
  288    HA   ASN  35           HA       ASN  35   7.969   6.411  -1.475
  289   1HB   ASN  35          HB2       ASN  35   8.669   7.907  -3.446
  290   2HB   ASN  35          HB3       ASN  35   9.753   7.829  -2.063
  291   1HD2  ASN  35          HD21      ASN  35  11.772   7.666  -2.523
  292   2HD2  ASN  35          HD22      ASN  35  12.409   7.188  -4.040
  293    H    LYS  36           HN       LYS  36   7.110   3.959  -2.159
  294    HA   LYS  36           HA       LYS  36   5.343   4.485  -4.327
  295   1HB   LYS  36          HB3       LYS  36   5.942   2.679  -5.780
  296   2HB   LYS  36          HB2       LYS  36   7.379   3.653  -5.542
  297   1HG   LYS  36          HG3       LYS  36   8.298   2.044  -4.026
  298   2HG   LYS  36          HG2       LYS  36   6.794   1.116  -4.042
  299   1HD   LYS  36          HD3       LYS  36   8.387   0.039  -5.469
  300   2HD   LYS  36          HD2       LYS  36   7.101   0.728  -6.455
  301   1HE   LYS  36          HE2       LYS  36   8.538   2.627  -7.009
  302   2HE   LYS  36          HE3       LYS  36   9.801   1.967  -5.969
  303   1HZ   LYS  36          HZ1       LYS  36   9.837   1.515  -8.503
  304   2HZ   LYS  36          HZ2       LYS  36   8.751   0.276  -8.102
  305   3HZ   LYS  36          HZ3       LYS  36  10.294   0.322  -7.397
  306    H    ILE  37           HN       ILE  37   4.093   2.268  -4.718
  307    HA   ILE  37           HA       ILE  37   3.741   0.968  -2.091
  308    HB   ILE  37           HB       ILE  37   1.502   1.895  -3.901
  309   1HG1  ILE  37          HG13      ILE  37   2.386   2.740  -1.129
  310   2HG1  ILE  37          HG12      ILE  37   2.426   3.710  -2.601
  311   1HG2  ILE  37          HG21      ILE  37   1.177  -0.361  -2.800
  312   2HG2  ILE  37          HG22      ILE  37   1.196   0.486  -1.256
  313   3HG2  ILE  37          HG23      ILE  37  -0.052   0.853  -2.451
  314   1HD1  ILE  37          HD11      ILE  37  -0.150   2.644  -1.469
  315   2HD1  ILE  37          HD12      ILE  37   0.537   4.187  -0.956
  316   3HD1  ILE  37          HD13      ILE  37   0.083   3.940  -2.644
  317    H    MET  38           HN       MET  38   3.707  -1.193  -2.127
  318    HA   MET  38           HA       MET  38   3.328  -2.578  -4.712
  319   1HB   MET  38          HB2       MET  38   5.311  -3.145  -2.492
  320   2HB   MET  38          HB3       MET  38   4.935  -4.305  -3.758
  321   1HG   MET  38          HG3       MET  38   5.759  -2.750  -5.437
  322   2HG   MET  38          HG2       MET  38   6.173  -1.593  -4.170
  323   1HE   MET  38          HE1       MET  38   9.082  -1.666  -4.824
  324   2HE   MET  38          HE2       MET  38   9.496  -3.160  -5.669
  325   3HE   MET  38          HE3       MET  38   8.090  -2.227  -6.175
  326    H    PHE  39           HN       PHE  39   1.963  -4.369  -4.636
  327    HA   PHE  39           HA       PHE  39   1.379  -5.548  -2.079
  328   1HB   PHE  39          HB2       PHE  39  -1.051  -5.290  -2.235
  329   2HB   PHE  39          HB3       PHE  39  -0.240  -3.745  -2.051
  330    HD1  PHE  39           HD1      PHE  39  -2.092  -5.905  -4.341
  331    HD2  PHE  39           HD2      PHE  39  -0.379  -2.064  -3.712
  332    HE1  PHE  39           HE1      PHE  39  -3.384  -5.031  -6.239
  333    HE2  PHE  39           HE2      PHE  39  -1.677  -1.179  -5.600
  334    HZ   PHE  39           HZ       PHE  39  -3.167  -2.657  -6.873
  335    H    THR  40           HN       THR  40   1.099  -7.660  -2.229
  336    HA   THR  40           HA       THR  40   0.946  -8.846  -4.898
  337    HB   THR  40           HB       THR  40   1.234 -10.977  -3.331
  338    HG1  THR  40           HG1      THR  40   2.416 -10.421  -1.471
  339   1HG2  THR  40          HG21      THR  40   3.172 -10.957  -4.409
  340   2HG2  THR  40          HG22      THR  40   3.796  -9.856  -3.187
  341   3HG2  THR  40          HG23      THR  40   3.050  -9.220  -4.659
  342    H    GLU  41           HN       GLU  41  -0.963  -9.355  -5.673
  343    HA   GLU  41           HA       GLU  41  -3.274  -9.410  -3.970
  344   1HB   GLU  41          HB2       GLU  41  -3.090  -9.914  -6.935
  345   2HB   GLU  41          HB3       GLU  41  -4.528  -9.474  -6.025
  346   1HG   GLU  41          HG2       GLU  41  -3.470  -7.299  -5.492
  347   2HG   GLU  41          HG3       GLU  41  -2.109  -7.747  -6.524
  348    H    GLN  42           HN       GLN  42  -3.779 -11.128  -2.895
  349    HA   GLN  42           HA       GLN  42  -3.255 -13.781  -4.010
  350   1HB   GLN  42          HB2       GLN  42  -4.231 -12.944  -1.267
  351   2HB   GLN  42          HB3       GLN  42  -3.905 -14.600  -1.770
  352   1HG   GLN  42          HG3       GLN  42  -1.842 -12.413  -1.729
  353   2HG   GLN  42          HG2       GLN  42  -2.095 -13.575  -0.430
  354   1HE2  GLN  42          HE21      GLN  42  -0.733 -15.140  -0.440
  355   2HE2  GLN  42          HE22      GLN  42  -0.127 -15.986  -1.817
  356    H    ASP  43           HN       ASP  43  -4.854 -14.832  -5.049
  357    HA   ASP  43           HA       ASP  43  -7.579 -13.823  -4.601
  358   1HB   ASP  43          HB3       ASP  43  -6.606 -13.451  -6.866
  359   2HB   ASP  43          HB2       ASP  43  -6.550 -15.199  -7.084
  360    H    ALA  44           HN       ALA  44  -9.358 -15.315  -4.805
  361    HA   ALA  44           HA       ALA  44  -8.697 -17.871  -3.550
  362   1HB   ALA  44          HB1       ALA  44 -10.394 -16.215  -2.602
  363   2HB   ALA  44          HB2       ALA  44 -11.466 -16.774  -3.889
  364   3HB   ALA  44          HB3       ALA  44 -10.854 -17.912  -2.685
  365    H    SER  45           HN       SER  45  -8.168 -17.642  -6.263
  366    HA   SER  45           HA       SER  45  -8.245 -18.874  -8.127
  367   1HB   SER  45          HB2       SER  45  -8.585 -20.829  -6.717
  368   2HB   SER  45          HB3       SER  45 -10.312 -20.492  -6.629
  369    HG   SER  45           HG       SER  45  -8.786 -21.301  -8.880
  370    H    THR  46           HN       THR  46 -11.634 -19.553  -7.601
  371    HA   THR  46           HA       THR  46 -13.467 -19.054  -8.846
  372    HB   THR  46           HB       THR  46 -13.904 -16.580  -9.101
  373    HG1  THR  46           HG1      THR  46 -11.295 -16.386  -8.775
  374   1HG2  THR  46          HG21      THR  46 -13.293 -17.897  -6.530
  375   2HG2  THR  46          HG22      THR  46 -14.817 -17.249  -7.142
  376   3HG2  THR  46          HG23      THR  46 -13.582 -16.154  -6.522
  377    H    SER  47           HN       SER  47 -12.261 -20.251 -10.628
  378    HA   SER  47           HA       SER  47 -11.805 -20.469 -12.840
  379   1HB   SER  47          HB3       SER  47 -12.829 -17.621 -13.106
  380   2HB   SER  47          HB2       SER  47 -12.666 -18.806 -14.402
  381    HG   SER  47           HG       SER  47 -14.269 -20.053 -13.451
  382    HA   PRO  48           HA       PRO  48  -7.793 -18.554 -13.735
  383   1HB   PRO  48          HB3       PRO  48  -8.011 -16.137 -15.146
  384   2HB   PRO  48          HB2       PRO  48  -7.808 -17.731 -15.887
  385   1HG   PRO  48          HG3       PRO  48 -10.299 -16.123 -15.461
  386   2HG   PRO  48          HG2       PRO  48  -9.866 -17.165 -16.829
  387   1HD   PRO  48          HD3       PRO  48 -11.622 -17.981 -15.012
  388   2HD   PRO  48          HD2       PRO  48 -10.436 -19.100 -15.710
  389    HA   PRO  49           HA       PRO  49  -8.193 -15.925 -10.100
  390   1HB   PRO  49          HB3       PRO  49  -5.574 -16.046  -9.340
  391   2HB   PRO  49          HB2       PRO  49  -6.768 -17.302  -8.966
  392   1HG   PRO  49          HG3       PRO  49  -4.760 -17.168 -11.174
  393   2HG   PRO  49          HG2       PRO  49  -5.157 -18.535 -10.120
  394   1HD   PRO  49          HD2       PRO  49  -6.131 -18.383 -12.620
  395   2HD   PRO  49          HD3       PRO  49  -7.127 -19.018 -11.286
  396    H    SER  50           HN       SER  50  -6.514 -14.204  -9.142
  397    HA   SER  50           HA       SER  50  -5.705 -12.438 -11.358
  398   1HB   SER  50          HB2       SER  50  -7.116 -11.503  -8.850
  399   2HB   SER  50          HB3       SER  50  -6.636 -10.513 -10.224
  400    HG   SER  50           HG       SER  50  -8.477 -12.684 -10.384
  401    H    TYR  51           HN       TYR  51  -3.553 -13.226 -10.920
  402    HA   TYR  51           HA       TYR  51  -2.260 -11.723  -8.754
  403   1HB   TYR  51          HB2       TYR  51  -2.550 -14.142  -8.074
  404   2HB   TYR  51          HB3       TYR  51  -1.494 -14.577  -9.419
  405    HD1  TYR  51           HD1      TYR  51  -0.179 -15.663  -7.486
  406    HD2  TYR  51           HD2      TYR  51  -0.561 -11.461  -7.931
  407    HE1  TYR  51           HE1      TYR  51   1.798 -15.337  -6.067
  408    HE2  TYR  51           HE2      TYR  51   1.416 -11.104  -6.511
  409    HH   TYR  51           HH       TYR  51   2.648 -13.178  -4.502
  410    H    THR  52           HN       THR  52  -1.154 -14.082 -11.180
  411    HA   THR  52           HA       THR  52   0.432 -13.974 -12.800
  412    HB   THR  52           HB       THR  52  -0.227 -11.031 -13.068
  413    HG1  THR  52           HG1      THR  52  -1.976 -13.036 -13.188
  414   1HG2  THR  52          HG21      THR  52   0.693 -11.117 -15.097
  415   2HG2  THR  52          HG22      THR  52  -0.069 -12.664 -15.470
  416   3HG2  THR  52          HG23      THR  52   1.441 -12.625 -14.564
  417    H    HIS  53           HN       HIS  53   1.256 -10.636 -12.381
  418    HA   HIS  53           HA       HIS  53   3.722 -11.502 -11.055
  419   1HB   HIS  53          HB2       HIS  53   3.079  -8.798 -12.267
  420   2HB   HIS  53          HB3       HIS  53   4.633  -9.274 -11.587
  421    HD1  HIS  53           HD1      HIS  53   2.466  -9.666 -14.581
  422    HD2  HIS  53           HD2      HIS  53   6.189 -10.969 -13.260
  423    HE1  HIS  53           HE1      HIS  53   3.565 -10.716 -16.586
  424    HE2  HIS  53           HE2      HIS  53   5.774 -11.586 -15.750
  425    H    TYR  54           HN       TYR  54   1.514  -8.745 -10.896
  426    HA   TYR  54           HA       TYR  54   0.180  -8.606  -8.752
  427   1HB   TYR  54          HB2       TYR  54   1.231  -8.278  -6.712
  428   2HB   TYR  54          HB3       TYR  54   2.212  -9.531  -7.454
  429    HD1  TYR  54           HD1      TYR  54   2.077  -5.881  -6.856
  430    HD2  TYR  54           HD2      TYR  54   4.465  -9.281  -7.703
  431    HE1  TYR  54           HE1      TYR  54   4.119  -4.535  -6.481
  432    HE2  TYR  54           HE2      TYR  54   6.495  -7.963  -7.373
  433    HH   TYR  54           HH       TYR  54   6.688  -5.238  -5.779
  434    H    SER  55           HN       SER  55  -0.716  -6.652  -8.629
  435    HA   SER  55           HA       SER  55   0.143  -4.662 -10.419
  436   1HB   SER  55          HB2       SER  55  -1.901  -4.509  -8.184
  437   2HB   SER  55          HB3       SER  55  -1.717  -3.303  -9.461
  438    HG   SER  55           HG       SER  55  -2.764  -5.887  -9.559
  439    H    SER  56           HN       SER  56   1.422  -2.953 -10.223
  440    HA   SER  56           HA       SER  56   2.559  -2.350  -7.582
  441   1HB   SER  56          HB3       SER  56   3.619  -1.473 -10.284
  442   2HB   SER  56          HB2       SER  56   4.483  -1.505  -8.741
  443    HG   SER  56           HG       SER  56   3.411  -3.916  -9.651
  444    H    ILE  57           HN       ILE  57   2.511  -0.236  -6.768
  445    HA   ILE  57           HA       ILE  57   0.756   1.625  -8.230
  446    HB   ILE  57           HB       ILE  57   1.005   1.036  -5.297
  447   1HG1  ILE  57          HG13      ILE  57  -0.645  -0.210  -6.586
  448   2HG1  ILE  57          HG12      ILE  57  -1.442   0.872  -5.447
  449   1HG2  ILE  57          HG21      ILE  57  -0.791   3.219  -5.753
  450   2HG2  ILE  57          HG22      ILE  57   0.594   3.120  -4.659
  451   3HG2  ILE  57          HG23      ILE  57   0.824   3.643  -6.328
  452   1HD1  ILE  57          HD11      ILE  57  -1.391   2.460  -7.602
  453   2HD1  ILE  57          HD12      ILE  57  -1.462   0.879  -8.382
  454   3HD1  ILE  57          HD13      ILE  57  -2.710   1.344  -7.233
  455    H    ARG  58           HN       ARG  58   1.272   3.748  -8.300
  456    HA   ARG  58           HA       ARG  58   4.082   4.411  -7.727
  457   1HB   ARG  58          HB3       ARG  58   2.836   4.797 -10.077
  458   2HB   ARG  58          HB2       ARG  58   2.318   6.259  -9.235
  459   1HG   ARG  58          HG2       ARG  58   4.682   6.799  -8.788
  460   2HG   ARG  58          HG3       ARG  58   5.132   5.458  -9.853
  461   1HD   ARG  58          HD2       ARG  58   3.466   7.859 -10.576
  462   2HD   ARG  58          HD3       ARG  58   5.134   7.551 -11.081
  463    HE   ARG  58           HE       ARG  58   3.545   5.372 -11.856
  464   1HH1  ARG  58          HH11      ARG  58   4.433   8.635 -13.120
  465   2HH1  ARG  58          HH12      ARG  58   2.846   8.692 -13.838
  466   1HH2  ARG  58          HH22      ARG  58   3.595   5.332 -14.475
  467   2HH2  ARG  58          HH21      ARG  58   2.224   6.387 -14.713
  468    H    LEU  59           HN       LEU  59   4.518   5.833  -6.184
  469    HA   LEU  59           HA       LEU  59   2.329   6.996  -4.684
  470   1HB   LEU  59          HB2       LEU  59   4.420   5.789  -3.778
  471   2HB   LEU  59          HB3       LEU  59   5.258   7.298  -4.092
  472    HG   LEU  59           HG       LEU  59   3.468   8.388  -2.600
  473   1HD1  LEU  59          HD11      LEU  59   2.099   7.122  -1.299
  474   2HD1  LEU  59          HD12      LEU  59   2.198   6.056  -2.705
  475   3HD1  LEU  59          HD13      LEU  59   3.204   5.760  -1.282
  476   1HD2  LEU  59          HD21      LEU  59   5.095   8.477  -1.122
  477   2HD2  LEU  59          HD22      LEU  59   4.895   6.780  -0.690
  478   3HD2  LEU  59          HD23      LEU  59   5.952   7.247  -2.033
  479    H    ASP  60           HN       ASP  60   4.587   7.913  -7.069
  480    HA   ASP  60           HA       ASP  60   5.127  10.545  -6.528
  481   1HB   ASP  60          HB2       ASP  60   4.797   9.095  -9.138
  482   2HB   ASP  60          HB3       ASP  60   5.375  10.754  -9.037
  483    H    LYS  61           HN       LYS  61   2.578   9.457  -8.812
  484    HA   LYS  61           HA       LYS  61   1.309  12.056  -8.346
  485   1HB   LYS  61          HB3       LYS  61   1.867  10.693 -10.976
  486   2HB   LYS  61          HB2       LYS  61   0.729  12.027 -10.816
  487   1HG   LYS  61          HG2       LYS  61   2.434  13.508 -10.110
  488   2HG   LYS  61          HG3       LYS  61   3.586  12.191  -9.918
  489   1HD   LYS  61          HD3       LYS  61   3.636  11.833 -12.298
  490   2HD   LYS  61          HD2       LYS  61   2.381  13.046 -12.534
  491   1HE   LYS  61          HE2       LYS  61   4.683  13.837 -13.024
  492   2HE   LYS  61          HE3       LYS  61   3.840  14.796 -11.815
  493   1HZ   LYS  61          HZ1       LYS  61   5.109  13.753 -10.095
  494   2HZ   LYS  61          HZ2       LYS  61   6.189  14.284 -11.302
  495   3HZ   LYS  61          HZ3       LYS  61   5.777  12.644 -11.187
  496    H    TYR  62           HN       TYR  62   0.032  10.601  -6.839
  497    HA   TYR  62           HA       TYR  62  -2.401   9.929  -8.281
  498   1HB   TYR  62          HB3       TYR  62  -2.696   7.762  -7.426
  499   2HB   TYR  62          HB2       TYR  62  -0.995   7.792  -7.878
  500    HD1  TYR  62           HD1      TYR  62  -3.185   6.761  -5.444
  501    HD2  TYR  62           HD2      TYR  62   0.577   8.716  -5.811
  502    HE1  TYR  62           HE1      TYR  62  -2.638   6.103  -3.149
  503    HE2  TYR  62           HE2      TYR  62   1.132   8.060  -3.490
  504    HH   TYR  62           HH       TYR  62  -0.178   7.414  -1.378
  505    H    ASN  63           HN       ASN  63  -4.231  10.513  -7.117
  506    HA   ASN  63           HA       ASN  63  -3.686  11.907  -4.594
  507   1HB   ASN  63          HB3       ASN  63  -5.028  12.939  -6.537
  508   2HB   ASN  63          HB2       ASN  63  -6.332  11.891  -5.997
  509   1HD2  ASN  63          HD21      ASN  63  -4.247  12.959  -3.492
  510   2HD2  ASN  63          HD22      ASN  63  -5.181  14.309  -2.958
  511    H    ILE  64           HN       ILE  64  -3.822  10.706  -2.885
  512    HA   ILE  64           HA       ILE  64  -5.827   8.561  -2.765
  513    HB   ILE  64           HB       ILE  64  -3.490   7.879  -2.418
  514   1HG1  ILE  64          HG12      ILE  64  -4.914   7.603   0.221
  515   2HG1  ILE  64          HG13      ILE  64  -5.483   6.790  -1.236
  516   1HG2  ILE  64          HG21      ILE  64  -2.037   8.803  -0.984
  517   2HG2  ILE  64          HG22      ILE  64  -3.100  10.199  -1.113
  518   3HG2  ILE  64          HG23      ILE  64  -3.259   9.091   0.253
  519   1HD1  ILE  64          HD11      ILE  64  -3.401   6.025   0.553
  520   2HD1  ILE  64          HD12      ILE  64  -4.089   5.142  -0.808
  521   3HD1  ILE  64          HD13      ILE  64  -2.744   6.260  -1.069
  522    H    ARG  65           HN       ARG  65  -7.480   8.621  -1.308
  523    HA   ARG  65           HA       ARG  65  -7.493  10.766   0.720
  524   1HB   ARG  65          HB3       ARG  65  -9.769  10.100  -1.155
  525   2HB   ARG  65          HB2       ARG  65  -9.826  11.298   0.113
  526   1HG   ARG  65          HG2       ARG  65  -8.087  11.396  -2.351
  527   2HG   ARG  65          HG3       ARG  65  -9.549  12.337  -2.067
  528   1HD   ARG  65          HD2       ARG  65  -6.998  12.476  -0.473
  529   2HD   ARG  65          HD3       ARG  65  -7.542  13.664  -1.656
  530    HE   ARG  65           HE       ARG  65  -9.478  13.309   0.406
  531   1HH1  ARG  65          HH12      ARG  65  -7.204  16.195  -0.310
  532   2HH1  ARG  65          HH11      ARG  65  -6.134  15.104   0.536
  533   1HH2  ARG  65          HH21      ARG  65  -8.835  14.919   2.661
  534   2HH2  ARG  65          HH22      ARG  65  -9.282  16.202   1.574
  535    H    GLN  66           HN       GLN  66 -10.188  10.357   1.539
  536    HA   GLN  66           HA       GLN  66 -10.411   7.568   2.335
  537   1HB   GLN  66          HB3       GLN  66 -10.665   8.143   4.705
  538   2HB   GLN  66          HB2       GLN  66  -9.076   8.598   4.112
  539   1HG   GLN  66          HG3       GLN  66  -9.780  10.911   3.919
  540   2HG   GLN  66          HG2       GLN  66 -11.390  10.483   4.498
  541   1HE2  GLN  66          HE21      GLN  66  -9.144   8.589   6.023
  542   2HE2  GLN  66          HE22      GLN  66  -9.146   9.417   7.534
  543    H    HIS  67           HN       HIS  67 -12.604   6.959   2.713
  544    HA   HIS  67           HA       HIS  67 -14.554   9.094   2.145
  545   1HB   HIS  67          HB3       HIS  67 -14.315   6.310   1.116
  546   2HB   HIS  67          HB2       HIS  67 -15.874   7.146   1.095
  547    HD1  HIS  67           HD1      HIS  67 -15.181   9.902   0.126
  548    HD2  HIS  67           HD2      HIS  67 -13.441   6.478  -1.451
  549    HE1  HIS  67           HE1      HIS  67 -14.386  10.541  -2.190
  550    HE2  HIS  67           HE2      HIS  67 -13.568   8.379  -3.200
  551    H    THR  68           HN       THR  68 -16.190   6.302   2.290
  552    HA   THR  68           HA       THR  68 -17.747   6.967   4.496
  553    HB   THR  68           HB       THR  68 -17.677   4.135   3.612
  554    HG1  THR  68           HG1      THR  68 -18.980   5.366   1.737
  555   1HG2  THR  68          HG21      THR  68 -19.615   4.431   4.732
  556   2HG2  THR  68          HG22      THR  68 -20.166   4.930   3.134
  557   3HG2  THR  68          HG23      THR  68 -19.724   6.145   4.342
  558    H    THR  69           HN       THR  69 -18.278   4.942   6.137
  559    HA   THR  69           HA       THR  69 -17.681   3.963   8.081
  560    HB   THR  69           HB       THR  69 -14.902   3.544   6.951
  561    HG1  THR  69           HG1      THR  69 -17.305   2.533   6.045
  562   1HG2  THR  69          HG21      THR  69 -16.617   1.915   8.810
  563   2HG2  THR  69          HG22      THR  69 -15.128   2.775   9.209
  564   3HG2  THR  69          HG23      THR  69 -15.068   1.375   8.142
  565    H    ASP  70           HN       ASP  70 -17.970   6.100   8.845
  566    HA   ASP  70           HA       ASP  70 -17.471   8.030   9.878
  567   1HB   ASP  70          HB2       ASP  70 -14.814   6.712  10.491
  568   2HB   ASP  70          HB3       ASP  70 -15.568   8.059  11.330
  569    H    GLU  71           HN       GLU  71 -14.095   7.757   9.419
  570    HA   GLU  71           HA       GLU  71 -14.022   8.848   6.777
  571   1HB   GLU  71          HB3       GLU  71 -13.153  10.553   9.111
  572   2HB   GLU  71          HB2       GLU  71 -12.588  10.784   7.461
  573   1HG   GLU  71          HG3       GLU  71 -15.017  10.999   6.802
  574   2HG   GLU  71          HG2       GLU  71 -15.361  11.099   8.531
  575    H    ASP  72           HN       ASP  72 -12.906   6.884   6.544
  576    HA   ASP  72           HA       ASP  72 -10.120   7.117   6.748
  577   1HB   ASP  72          HB2       ASP  72  -9.622   5.291   8.368
  578   2HB   ASP  72          HB3       ASP  72 -10.277   6.758   9.080
  579    H    THR  73           HN       THR  73 -12.443   5.937   4.980
  580    HA   THR  73           HA       THR  73 -11.271   3.290   4.480
  581    HB   THR  73           HB       THR  73 -13.442   4.777   2.946
  582    HG1  THR  73           HG1      THR  73 -14.263   4.164   4.906
  583   1HG2  THR  73          HG21      THR  73 -12.168   3.061   1.613
  584   2HG2  THR  73          HG22      THR  73 -13.893   2.757   1.783
  585   3HG2  THR  73          HG23      THR  73 -12.736   1.855   2.762
  586    H    ILE  74           HN       ILE  74  -9.440   3.229   3.297
  587    HA   ILE  74           HA       ILE  74  -8.561   5.658   2.038
  588    HB   ILE  74           HB       ILE  74  -7.156   2.989   2.215
  589   1HG1  ILE  74          HG12      ILE  74  -7.645   3.881   4.432
  590   2HG1  ILE  74          HG13      ILE  74  -5.923   4.021   4.091
  591   1HG2  ILE  74          HG21      ILE  74  -6.539   5.321   0.745
  592   2HG2  ILE  74          HG22      ILE  74  -5.397   5.234   2.081
  593   3HG2  ILE  74          HG23      ILE  74  -5.555   3.878   0.963
  594   1HD1  ILE  74          HD11      ILE  74  -7.486   6.003   5.083
  595   2HD1  ILE  74          HD12      ILE  74  -5.962   6.254   4.227
  596   3HD1  ILE  74          HD13      ILE  74  -7.488   6.382   3.367
  597    H    VAL  75           HN       VAL  75  -8.550   6.160  -0.017
  598    HA   VAL  75           HA       VAL  75  -8.894   4.081  -2.036
  599    HB   VAL  75           HB       VAL  75 -10.438   5.461  -3.274
  600   1HG1  VAL  75          HG11      VAL  75 -12.294   4.811  -2.191
  601   2HG1  VAL  75          HG12      VAL  75 -11.128   3.993  -1.149
  602   3HG1  VAL  75          HG13      VAL  75 -11.790   5.563  -0.676
  603   1HG2  VAL  75          HG21      VAL  75 -10.436   7.402  -0.963
  604   2HG2  VAL  75          HG22      VAL  75  -9.587   7.650  -2.491
  605   3HG2  VAL  75          HG23      VAL  75 -11.349   7.533  -2.474
  606    H    LEU  76           HN       LEU  76  -7.902   4.651  -4.046
  607    HA   LEU  76           HA       LEU  76  -6.242   7.061  -3.964
  608   1HB   LEU  76          HB3       LEU  76  -4.492   5.686  -5.194
  609   2HB   LEU  76          HB2       LEU  76  -4.651   5.442  -3.466
  610    HG   LEU  76           HG       LEU  76  -6.280   3.645  -5.094
  611   1HD1  LEU  76          HD21      LEU  76  -3.900   2.337  -5.254
  612   2HD1  LEU  76          HD22      LEU  76  -4.673   3.208  -6.583
  613   3HD1  LEU  76          HD23      LEU  76  -3.434   4.001  -5.610
  614   1HD2  LEU  76          HD11      LEU  76  -4.883   2.036  -3.483
  615   2HD2  LEU  76          HD12      LEU  76  -4.656   3.559  -2.609
  616   3HD2  LEU  76          HD13      LEU  76  -6.280   2.963  -2.920
  617    H    GLN  77           HN       GLN  77  -6.725   8.333  -5.525
  618    HA   GLN  77           HA       GLN  77  -7.777   7.254  -8.059
  619   1HB   GLN  77          HB2       GLN  77  -8.077  10.013  -6.849
  620   2HB   GLN  77          HB3       GLN  77  -8.757   9.504  -8.392
  621   1HG   GLN  77          HG2       GLN  77 -10.251   8.004  -7.348
  622   2HG   GLN  77          HG3       GLN  77  -9.405   8.131  -5.801
  623   1HE2  GLN  77          HE21      GLN  77 -10.356   9.323  -4.374
  624   2HE2  GLN  77          HE22      GLN  77 -11.294  10.746  -4.663
  625    HA   PRO  78           HA       PRO  78  -3.703   8.554  -9.593
  626   1HB   PRO  78          HB2       PRO  78  -4.096   7.602 -12.101
  627   2HB   PRO  78          HB3       PRO  78  -3.634   6.562 -10.745
  628   1HG   PRO  78          HG2       PRO  78  -6.368   7.055 -11.897
  629   2HG   PRO  78          HG3       PRO  78  -5.600   5.517 -11.455
  630   1HD   PRO  78          HD2       PRO  78  -7.363   6.716  -9.826
  631   2HD   PRO  78          HD3       PRO  78  -5.950   5.859  -9.178
  632    H    GLN  79           HN       GLN  79  -3.000  10.156 -11.022
  633    HA   GLN  79           HA       GLN  79  -5.168  11.717 -12.242
  634   1HB   GLN  79          HB3       GLN  79  -3.783  13.728 -11.966
  635   2HB   GLN  79          HB2       GLN  79  -4.119  12.975 -10.415
  636   1HG   GLN  79          HG3       GLN  79  -1.904  12.034 -10.348
  637   2HG   GLN  79          HG2       GLN  79  -1.559  12.656 -11.962
  638   1HE2  GLN  79          HE21      GLN  79  -3.448  14.819 -10.188
  639   2HE2  GLN  79          HE22      GLN  79  -2.190  15.945  -9.840
  640    H    GLU  80           HN       GLU  80  -3.049   9.496 -12.944
  641    HA   GLU  80           HA       GLU  80  -2.475  10.617 -15.599
  642   1HB   GLU  80          HB3       GLU  80  -0.581   9.087 -13.830
  643   2HB   GLU  80          HB2       GLU  80  -0.406   9.091 -15.576
  644   1HG   GLU  80          HG2       GLU  80  -0.316  11.601 -15.457
  645   2HG   GLU  80          HG3       GLU  80  -0.185  11.425 -13.706
  646    HA   PRO  81           HA       PRO  81  -4.899   7.049 -16.775
  647   1HB   PRO  81          HB2       PRO  81  -3.681   7.617 -19.414
  648   2HB   PRO  81          HB3       PRO  81  -5.388   7.475 -18.976
  649   1HG   PRO  81          HG2       PRO  81  -4.282   9.850 -19.492
  650   2HG   PRO  81          HG3       PRO  81  -5.511   9.668 -18.232
  651   1HD   PRO  81          HD2       PRO  81  -2.541   9.941 -17.990
  652   2HD   PRO  81          HD3       PRO  81  -3.819  10.624 -16.953
  653    H    GLY  82           HN       GLY  82  -4.188   5.134 -16.250
  654   1HA   GLY  82          HA1       GLY  82  -2.945   3.227 -17.438
  655   2HA   GLY  82          HA2       GLY  82  -1.528   4.239 -17.165
  656    H    LEU  83           HN       LEU  83  -2.794   5.162 -14.604
  657    HA   LEU  83           HA       LEU  83  -1.868   2.950 -12.938
  658   1HB   LEU  83          HB3       LEU  83  -1.157   5.367 -12.562
  659   2HB   LEU  83          HB2       LEU  83  -2.790   5.667 -12.003
  660    HG   LEU  83           HG       LEU  83  -2.460   3.938 -10.221
  661   1HD1  LEU  83          HD11      LEU  83  -0.717   2.589 -10.191
  662   2HD1  LEU  83          HD12      LEU  83  -0.220   3.268 -11.741
  663   3HD1  LEU  83          HD13      LEU  83   0.391   3.950 -10.235
  664   1HD2  LEU  83          HD21      LEU  83  -2.220   6.189  -9.574
  665   2HD2  LEU  83          HD22      LEU  83  -0.857   5.336  -8.866
  666   3HD2  LEU  83          HD23      LEU  83  -0.627   6.327 -10.319
  667    HA   PRO  84           HA       PRO  84  -6.117   1.844 -12.311
  668   1HB   PRO  84          HB2       PRO  84  -5.311  -0.040 -10.309
  669   2HB   PRO  84          HB3       PRO  84  -5.809  -0.351 -11.970
  670   1HG   PRO  84          HG2       PRO  84  -3.252  -0.752 -11.036
  671   2HG   PRO  84          HG3       PRO  84  -3.652  -0.432 -12.729
  672   1HD   PRO  84          HD2       PRO  84  -2.601   1.459 -10.656
  673   2HD   PRO  84          HD3       PRO  84  -2.207   1.331 -12.388
  674    H    SER  85           HN       SER  85  -7.740   1.726 -10.641
  675    HA   SER  85           HA       SER  85  -6.957   3.064  -8.143
  676   1HB   SER  85          HB2       SER  85  -9.253   4.220  -8.320
  677   2HB   SER  85          HB3       SER  85  -7.954   4.817  -9.351
  678    HG   SER  85           HG       SER  85  -9.240   2.851 -10.631
  679    H    PHE  86           HN       PHE  86  -7.582   2.040  -6.386
  680    HA   PHE  86           HA       PHE  86 -10.012   0.405  -6.369
  681   1HB   PHE  86          HB3       PHE  86  -8.945  -1.556  -5.519
  682   2HB   PHE  86          HB2       PHE  86  -8.057  -1.069  -6.953
  683    HD1  PHE  86           HD1      PHE  86  -6.062   0.723  -6.258
  684    HD2  PHE  86           HD2      PHE  86  -7.668  -2.436  -3.904
  685    HE1  PHE  86           HE1      PHE  86  -3.923   0.556  -5.044
  686    HE2  PHE  86           HE2      PHE  86  -5.565  -2.562  -2.634
  687    HZ   PHE  86           HZ       PHE  86  -3.676  -1.083  -3.214
  688    H    ARG  87           HN       ARG  87 -10.593  -0.242  -4.113
  689    HA   ARG  87           HA       ARG  87  -9.900   1.940  -2.268
  690   1HB   ARG  87          HB3       ARG  87 -12.036   1.190  -1.130
  691   2HB   ARG  87          HB2       ARG  87 -12.252   1.807  -2.767
  692   1HG   ARG  87          HG2       ARG  87 -12.265  -0.485  -3.623
  693   2HG   ARG  87          HG3       ARG  87 -12.065  -1.093  -1.983
  694   1HD   ARG  87          HD2       ARG  87 -14.322  -1.326  -2.430
  695   2HD   ARG  87          HD3       ARG  87 -14.207   0.118  -1.436
  696    HE   ARG  87           HE       ARG  87 -15.287   1.194  -3.102
  697   1HH1  ARG  87          HH11      ARG  87 -14.067  -1.732  -4.804
  698   2HH1  ARG  87          HH12      ARG  87 -13.206  -0.640  -5.847
  699   1HH2  ARG  87          HH21      ARG  87 -15.134   1.734  -5.959
  700   2HH2  ARG  87          HH22      ARG  87 -16.406   0.577  -5.710
  701    H    ILE  88           HN       ILE  88  -9.265   1.454  -0.107
  702    HA   ILE  88           HA       ILE  88  -8.897  -1.395   0.510
  703    HB   ILE  88           HB       ILE  88  -6.709  -0.575   1.733
  704   1HG1  ILE  88          HG12      ILE  88  -6.988   1.358  -0.585
  705   2HG1  ILE  88          HG13      ILE  88  -6.896   1.779   1.120
  706   1HG2  ILE  88          HG21      ILE  88  -6.906  -1.201  -1.206
  707   2HG2  ILE  88          HG22      ILE  88  -5.439  -1.331  -0.233
  708   3HG2  ILE  88          HG23      ILE  88  -6.826  -2.363   0.121
  709   1HD1  ILE  88          HD11      ILE  88  -4.721   0.692  -0.631
  710   2HD1  ILE  88          HD12      ILE  88  -4.764   2.212   0.263
  711   3HD1  ILE  88          HD13      ILE  88  -4.625   0.682   1.130
  712    H    LYS  89           HN       LYS  89  -9.843  -1.940   2.269
  713    HA   LYS  89           HA       LYS  89  -9.800  -0.179   4.603
  714   1HB   LYS  89          HB3       LYS  89 -12.098  -0.145   4.957
  715   2HB   LYS  89          HB2       LYS  89 -12.042  -0.051   3.202
  716   1HG   LYS  89          HG2       LYS  89 -12.926  -2.099   2.909
  717   2HG   LYS  89          HG3       LYS  89 -12.181  -2.751   4.375
  718   1HD   LYS  89          HD3       LYS  89 -14.639  -2.582   4.584
  719   2HD   LYS  89          HD2       LYS  89 -13.801  -1.555   5.749
  720   1HE   LYS  89          HE3       LYS  89 -14.115   0.355   4.185
  721   2HE   LYS  89          HE2       LYS  89 -15.106  -0.696   3.177
  722   1HZ   LYS  89          HZ1       LYS  89 -16.143   0.855   5.019
  723   2HZ   LYS  89          HZ2       LYS  89 -15.862  -0.509   5.991
  724   3HZ   LYS  89          HZ3       LYS  89 -16.822  -0.633   4.597
  725    HA   PRO  90           HA       PRO  90  -9.010  -4.176   6.432
  726   1HB   PRO  90          HB3       PRO  90  -9.474  -3.689   9.031
  727   2HB   PRO  90          HB2       PRO  90  -8.142  -2.900   8.190
  728   1HG   PRO  90          HG3       PRO  90 -10.821  -1.817   8.936
  729   2HG   PRO  90          HG2       PRO  90  -9.243  -1.013   8.927
  730   1HD   PRO  90          HD2       PRO  90 -11.173  -0.774   6.936
  731   2HD   PRO  90          HD3       PRO  90  -9.456  -0.373   6.767
  732    H    LYS  91           HN       LYS  91 -10.999  -4.952   5.185
  733    HA   LYS  91           HA       LYS  91 -13.471  -5.083   6.565
  734   1HB   LYS  91          HB2       LYS  91 -13.388  -5.191   4.128
  735   2HB   LYS  91          HB3       LYS  91 -12.396  -6.634   4.201
  736   1HG   LYS  91          HG3       LYS  91 -14.582  -7.300   3.635
  737   2HG   LYS  91          HG2       LYS  91 -14.280  -7.814   5.292
  738   1HD   LYS  91          HD2       LYS  91 -15.428  -5.686   6.026
  739   2HD   LYS  91          HD3       LYS  91 -15.938  -5.476   4.358
  740   1HE   LYS  91          HE2       LYS  91 -16.618  -7.732   6.217
  741   2HE   LYS  91          HE3       LYS  91 -17.698  -6.482   5.606
  742   1HZ   LYS  91          HZ1       LYS  91 -16.961  -8.960   4.406
  743   2HZ   LYS  91          HZ2       LYS  91 -16.676  -7.666   3.350
  744   3HZ   LYS  91          HZ3       LYS  91 -18.223  -7.868   3.997
  745    H    ASP  92           HN       ASP  92 -10.968  -7.514   5.883
  746    HA   ASP  92           HA       ASP  92 -12.174  -9.421   7.678
  747   1HB   ASP  92          HB3       ASP  92 -10.753  -9.753   5.424
  748   2HB   ASP  92          HB2       ASP  92  -9.435  -9.847   6.585
  749    H    PHE  93           HN       PHE  93 -10.117 -10.666   8.888
  750    HA   PHE  93           HA       PHE  93  -8.814 -10.681  10.727
  751   1HB   PHE  93          HB2       PHE  93  -8.036  -7.936   9.728
  752   2HB   PHE  93          HB3       PHE  93  -7.246  -8.745  11.079
  753    HD1  PHE  93           HD1      PHE  93  -6.628 -11.330  10.451
  754    HD2  PHE  93           HD2      PHE  93  -6.886  -8.045   7.751
  755    HE1  PHE  93           HE1      PHE  93  -5.119 -12.495   8.894
  756    HE2  PHE  93           HE2      PHE  93  -5.359  -9.203   6.207
  757    HZ   PHE  93           HZ       PHE  93  -4.486 -11.433   6.780
  758    H    GLU  94           HN       GLU  94  -8.299  -7.877  12.110
  759    HA   GLU  94           HA       GLU  94 -10.749  -7.017  13.179
  760   1HB   GLU  94          HB3       GLU  94 -10.841  -9.266  14.179
  761   2HB   GLU  94          HB2       GLU  94  -9.260  -9.003  14.903
  762   1HG   GLU  94          HG2       GLU  94 -10.122  -7.269  16.315
  763   2HG   GLU  94          HG3       GLU  94 -11.688  -7.333  15.504
  764    H    THR  95           HN       THR  95  -7.622  -7.834  14.673
  765    HA   THR  95           HA       THR  95  -7.378  -5.301  15.922
  766    HB   THR  95           HB       THR  95  -5.078  -7.158  15.440
  767    HG1  THR  95           HG1      THR  95  -7.042  -7.588  17.452
  768   1HG2  THR  95          HG21      THR  95  -5.239  -4.931  16.964
  769   2HG2  THR  95          HG22      THR  95  -4.145  -6.284  17.280
  770   3HG2  THR  95          HG23      THR  95  -5.674  -6.182  18.136
  771    H    SER  96           HN       SER  96  -7.260  -5.942  12.819
  772    HA   SER  96           HA       SER  96  -4.904  -4.433  12.117
  773   1HB   SER  96          HB3       SER  96  -7.100  -5.523  10.322
  774   2HB   SER  96          HB2       SER  96  -5.551  -4.854   9.786
  775    HG   SER  96           HG       SER  96  -4.509  -6.589  10.527
  776    H    GLU  97           HN       GLU  97  -7.883  -3.661  13.235
  777    HA   GLU  97           HA       GLU  97  -8.583  -1.467  11.520
  778   1HB   GLU  97          HB3       GLU  97 -10.086  -2.820  13.183
  779   2HB   GLU  97          HB2       GLU  97  -9.467  -1.707  14.390
  780   1HG   GLU  97          HG3       GLU  97 -10.912  -0.881  11.882
  781   2HG   GLU  97          HG2       GLU  97 -11.668  -1.089  13.458
  782    H    TYR  98           HN       TYR  98  -6.837  -1.887  14.576
  783    HA   TYR  98           HA       TYR  98  -6.521   0.786  15.280
  784   1HB   TYR  98          HB3       TYR  98  -5.996  -1.242  16.691
  785   2HB   TYR  98          HB2       TYR  98  -4.518  -1.432  15.754
  786    HD1  TYR  98           HD1      TYR  98  -6.232   1.336  17.657
  787    HD2  TYR  98           HD2      TYR  98  -2.590  -0.676  16.725
  788    HE1  TYR  98           HE1      TYR  98  -5.016   2.820  19.207
  789    HE2  TYR  98           HE2      TYR  98  -1.376   0.797  18.259
  790    HH   TYR  98           HH       TYR  98  -1.541   2.880  19.347
  791    H    VAL  99           HN       VAL  99  -4.085  -1.285  13.711
  792    HA   VAL  99           HA       VAL  99  -2.369   0.793  13.024
  793    HB   VAL  99           HB       VAL  99  -1.694  -1.563  13.125
  794   1HG1  VAL  99          HG11      VAL  99  -2.148  -2.832  10.901
  795   2HG1  VAL  99          HG12      VAL  99  -3.363  -2.817  12.179
  796   3HG1  VAL  99          HG13      VAL  99  -3.531  -1.739  10.796
  797   1HG2  VAL  99          HG21      VAL  99  -0.353   0.150  11.881
  798   2HG2  VAL  99          HG22      VAL  99  -0.131  -1.499  11.296
  799   3HG2  VAL  99          HG23      VAL  99  -1.160  -0.382  10.400
  800    H    ARG 100           HN       ARG 100  -5.280  -0.248  11.517
  801    HA   ARG 100           HA       ARG 100  -4.893   0.612   8.885
  802   1HB   ARG 100          HB3       ARG 100  -6.839  -0.689   9.521
  803   2HB   ARG 100          HB2       ARG 100  -7.376   0.574  10.611
  804   1HG   ARG 100          HG2       ARG 100  -7.097   1.274   7.739
  805   2HG   ARG 100          HG3       ARG 100  -8.446   0.244   8.223
  806   1HD   ARG 100          HD3       ARG 100  -8.686   2.094  10.105
  807   2HD   ARG 100          HD2       ARG 100  -7.869   3.077   8.889
  808    HE   ARG 100           HE       ARG 100  -9.765   3.067   7.616
  809   1HH1  ARG 100          HH11      ARG 100 -10.618   1.498  10.613
  810   2HH1  ARG 100          HH12      ARG 100 -11.677   0.354   9.846
  811   1HH2  ARG 100          HH21      ARG 100 -12.432   2.904   8.005
  812   2HH2  ARG 100          HH22      ARG 100 -12.468   1.240   7.479
  813    H    LYS 101           HN       LYS 101  -6.067   2.362  11.758
  814    HA   LYS 101           HA       LYS 101  -6.406   4.866  10.475
  815   1HB   LYS 101          HB3       LYS 101  -6.199   3.921  13.317
  816   2HB   LYS 101          HB2       LYS 101  -6.154   5.647  12.966
  817   1HG   LYS 101          HG2       LYS 101  -8.299   5.697  12.170
  818   2HG   LYS 101          HG3       LYS 101  -8.321   3.977  11.784
  819   1HD   LYS 101          HD3       LYS 101  -8.582   3.396  14.069
  820   2HD   LYS 101          HD2       LYS 101  -8.203   5.047  14.593
  821   1HE   LYS 101          HE3       LYS 101 -10.573   4.744  14.752
  822   2HE   LYS 101          HE2       LYS 101 -10.216   5.834  13.418
  823   1HZ   LYS 101          HZ1       LYS 101 -10.952   4.388  11.873
  824   2HZ   LYS 101          HZ2       LYS 101 -11.928   3.915  13.168
  825   3HZ   LYS 101          HZ3       LYS 101 -10.555   2.998  12.792
  826    H    ALA 102           HN       ALA 102  -3.679   3.173  11.842
  827    HA   ALA 102           HA       ALA 102  -1.991   5.507  11.928
  828   1HB   ALA 102          HB1       ALA 102  -1.710   3.569  13.464
  829   2HB   ALA 102          HB2       ALA 102  -1.150   2.612  12.088
  830   3HB   ALA 102          HB3       ALA 102  -0.233   4.019  12.610
  831    H    TRP 103           HN       TRP 103  -3.178   3.649   9.470
  832    HA   TRP 103           HA       TRP 103  -0.794   3.748   7.795
  833   1HB   TRP 103          HB3       TRP 103  -3.475   2.471   7.558
  834   2HB   TRP 103          HB2       TRP 103  -2.703   2.967   6.059
  835    HD1  TRP 103           HD1      TRP 103  -1.883   0.719   9.123
  836    HE1  TRP 103           HE1      TRP 103  -0.401  -1.236   8.307
  837    HE3  TRP 103           HE3      TRP 103  -1.296   2.144   4.245
  838    HZ2  TRP 103           HZ2      TRP 103   0.851  -2.030   5.877
  839    HZ3  TRP 103           HZ3      TRP 103   0.076   0.755   2.770
  840    HH2  TRP 103           HH2      TRP 103   1.125  -1.270   3.564
  841    H    LEU 104           HN       LEU 104  -4.035   5.186   7.995
  842    HA   LEU 104           HA       LEU 104  -3.833   6.785   5.678
  843   1HB   LEU 104          HB3       LEU 104  -5.731   8.020   6.595
  844   2HB   LEU 104          HB2       LEU 104  -5.978   6.288   6.657
  845    HG   LEU 104           HG       LEU 104  -5.157   6.556   9.157
  846   1HD1  LEU 104          HD21      LEU 104  -5.786   8.693  10.127
  847   2HD1  LEU 104          HD22      LEU 104  -4.547   8.950   8.873
  848   3HD1  LEU 104          HD23      LEU 104  -6.239   9.298   8.539
  849   1HD2  LEU 104          HD11      LEU 104  -7.846   7.724   8.756
  850   2HD2  LEU 104          HD12      LEU 104  -7.543   6.175   7.974
  851   3HD2  LEU 104          HD13      LEU 104  -7.341   6.342   9.729
  852    H    ARG 105           HN       ARG 105  -2.422   7.055   8.752
  853    HA   ARG 105           HA       ARG 105  -2.067   9.879   8.848
  854   1HB   ARG 105          HB3       ARG 105  -1.726   8.528  10.860
  855   2HB   ARG 105          HB2       ARG 105  -0.376   7.695  10.108
  856   1HG   ARG 105          HG2       ARG 105   0.872   9.799  10.016
  857   2HG   ARG 105          HG3       ARG 105  -0.503  10.648  10.705
  858   1HD   ARG 105          HD2       ARG 105  -0.269   9.379  12.780
  859   2HD   ARG 105          HD3       ARG 105   1.101   8.506  12.092
  860    HE   ARG 105           HE       ARG 105   1.644  11.234  11.860
  861   1HH1  ARG 105          HH12      ARG 105   1.146   9.494  15.121
  862   2HH1  ARG 105          HH11      ARG 105   2.789   9.018  14.771
  863   1HH2  ARG 105          HH21      ARG 105   2.518  12.569  13.926
  864   2HH2  ARG 105          HH22      ARG 105   3.862  11.474  14.158
  865    H    ASP 106           HN       ASP 106  -0.294   7.192   7.466
  866    HA   ASP 106           HA       ASP 106   1.875   8.782   6.463
  867   1HB   ASP 106          HB2       ASP 106   1.038   5.955   6.191
  868   2HB   ASP 106          HB3       ASP 106   1.983   6.621   4.863
  869    H    ILE 107           HN       ILE 107  -1.327   8.261   5.514
  870    HA   ILE 107           HA       ILE 107  -0.890   8.789   2.697
  871    HB   ILE 107           HB       ILE 107  -3.255   8.177   4.410
  872   1HG1  ILE 107          HG13      ILE 107  -3.715   6.566   2.618
  873   2HG1  ILE 107          HG12      ILE 107  -2.404   7.246   1.664
  874   1HG2  ILE 107          HG21      ILE 107  -4.841   9.255   3.244
  875   2HG2  ILE 107          HG22      ILE 107  -3.523  10.291   2.684
  876   3HG2  ILE 107          HG23      ILE 107  -4.054   8.925   1.696
  877   1HD1  ILE 107          HD11      ILE 107  -0.786   6.234   2.892
  878   2HD1  ILE 107          HD12      ILE 107  -1.774   6.161   4.358
  879   3HD1  ILE 107          HD13      ILE 107  -2.082   5.049   3.030
  880    H    ALA 108           HN       ALA 108  -1.963  10.443   5.599
  881    HA   ALA 108           HA       ALA 108  -2.682  12.896   4.336
  882   1HB   ALA 108          HB1       ALA 108  -3.678  12.824   6.369
  883   2HB   ALA 108          HB2       ALA 108  -2.350  11.931   7.106
  884   3HB   ALA 108          HB3       ALA 108  -2.206  13.666   6.856
  885    H    GLU 109           HN       GLU 109   0.254  11.439   5.118
  886    HA   GLU 109           HA       GLU 109   1.778  13.637   4.099
  887   1HB   GLU 109          HB2       GLU 109   3.311  13.519   6.236
  888   2HB   GLU 109          HB3       GLU 109   1.914  14.583   6.227
  889   1HG   GLU 109          HG2       GLU 109   0.629  12.914   7.467
  890   2HG   GLU 109          HG3       GLU 109   2.015  11.827   7.448
  891    H    GLU 110           HN       GLU 110   2.108  11.999   2.592
  892    HA   GLU 110           HA       GLU 110   3.145   9.472   3.184
  893   1HB   GLU 110          HB2       GLU 110   3.663   9.363   0.765
  894   2HB   GLU 110          HB3       GLU 110   2.019   9.871   1.112
  895   1HG   GLU 110          HG2       GLU 110   2.831  12.240   0.833
  896   2HG   GLU 110          HG3       GLU 110   4.311  11.549   0.168
  897    H    GLN 111           HN       GLN 111   5.002   8.755   3.687
  898    HA   GLN 111           HA       GLN 111   7.202   8.458   4.028
  899   1HB   GLN 111          HB2       GLN 111   7.068   9.218   1.480
  900   2HB   GLN 111          HB3       GLN 111   8.015  10.565   2.101
  901   1HG   GLN 111          HG2       GLN 111   9.646   8.975   3.013
  902   2HG   GLN 111          HG3       GLN 111   8.710   7.647   2.338
  903   1HE2  GLN 111          HE21      GLN 111  11.433   9.118   1.889
  904   2HE2  GLN 111          HE22      GLN 111  11.588   8.952   0.184
  905    H    GLU 112           HN       GLU 112   7.641   9.136   6.026
  906    HA   GLU 112           HA       GLU 112   7.524  11.770   6.957
  907   1HB   GLU 112          HB3       GLU 112   8.785  10.912   8.907
  908   2HB   GLU 112          HB2       GLU 112   7.427   9.884   8.475
  909   1HG   GLU 112          HG3       GLU 112   8.909   8.302   7.425
  910   2HG   GLU 112          HG2       GLU 112  10.283   9.367   7.705
  911    H    LYS 113           HN       LYS 113   9.951  10.105   5.148
  912    HA   LYS 113           HA       LYS 113  12.192  11.674   5.914
  913   1HB   LYS 113          HB2       LYS 113  11.860  10.188   3.296
  914   2HB   LYS 113          HB3       LYS 113  13.366  10.662   4.073
  915   1HG   LYS 113          HG2       LYS 113  11.450   8.518   4.890
  916   2HG   LYS 113          HG3       LYS 113  13.164   8.387   4.481
  917   1HD   LYS 113          HD3       LYS 113  13.761   9.625   6.495
  918   2HD   LYS 113          HD2       LYS 113  12.051   9.809   6.896
  919   1HE   LYS 113          HE2       LYS 113  11.882   7.319   6.975
  920   2HE   LYS 113          HE3       LYS 113  13.631   7.255   6.761
  921   1HZ   LYS 113          HZ1       LYS 113  12.089   8.022   9.110
  922   2HZ   LYS 113          HZ2       LYS 113  13.495   8.928   8.802
  923   3HZ   LYS 113          HZ3       LYS 113  13.599   7.244   8.992
  924    H    TYR 114           HN       TYR 114   9.555  12.146   3.794
  925    HA   TYR 114           HA       TYR 114  10.680  14.074   2.040
  926   1HB   TYR 114          HB3       TYR 114   8.579  12.780   1.593
  927   2HB   TYR 114          HB2       TYR 114   7.776  13.741   2.828
  928    HD1  TYR 114           HD1      TYR 114   9.912  14.393  -0.174
  929    HD2  TYR 114           HD2      TYR 114   6.462  15.429   2.060
  930    HE1  TYR 114           HE1      TYR 114   9.346  16.093  -1.856
  931    HE2  TYR 114           HE2      TYR 114   5.880  17.127   0.393
  932    HH   TYR 114           HH       TYR 114   6.370  18.015  -1.592
  933    H    ALA 115           HN       ALA 115   9.763  14.117   5.273
  934    HA   ALA 115           HA       ALA 115   9.902  15.655   6.916
  935   1HB   ALA 115          HB1       ALA 115  11.240  17.023   4.761
  936   2HB   ALA 115          HB2       ALA 115  10.314  18.154   5.750
  937   3HB   ALA 115          HB3       ALA 115  11.525  17.116   6.499
  938    H    ALA 116           HN       ALA 116   8.997  18.325   6.941
  939    HA   ALA 116           HA       ALA 116   6.148  17.842   6.867
  940   1HB   ALA 116          HB1       ALA 116   6.885  20.571   7.453
  941   2HB   ALA 116          HB2       ALA 116   6.076  19.367   8.461
  942   3HB   ALA 116          HB3       ALA 116   7.832  19.413   8.400
  943    H    GLU 117           HN       GLU 117   8.506  19.692   5.052
  944    HA   GLU 117           HA       GLU 117   6.588  20.070   2.928
  945   1HB   GLU 117          HB2       GLU 117   6.861  22.466   2.779
  946   2HB   GLU 117          HB3       GLU 117   6.197  22.020   4.343
  947   1HG   GLU 117          HG2       GLU 117   8.407  22.283   5.360
  948   2HG   GLU 117          HG3       GLU 117   9.070  22.746   3.791
  949    H    ARG 118           HN       ARG 118   7.557  21.090   0.999
  950    HA   ARG 118           HA       ARG 118  10.298  21.474   0.602
  951   1HB   ARG 118          HB3       ARG 118  10.086  18.873   0.990
  952   2HB   ARG 118          HB2       ARG 118   9.440  18.872  -0.643
  953   1HG   ARG 118          HG2       ARG 118  11.632  20.252  -1.142
  954   2HG   ARG 118          HG3       ARG 118  12.206  19.399   0.297
  955   1HD   ARG 118          HD3       ARG 118  12.808  18.013  -1.510
  956   2HD   ARG 118          HD2       ARG 118  11.369  17.266  -0.814
  957    HE   ARG 118           HE       ARG 118  10.565  18.996  -2.872
  958   1HH1  ARG 118          HH11      ARG 118  11.707  15.418  -2.872
  959   2HH1  ARG 118          HH12      ARG 118  12.890  16.257  -3.835
  960   1HH2  ARG 118          HH21      ARG 118  10.913  18.119  -5.380
  961   2HH2  ARG 118          HH22      ARG 118   9.815  16.803  -5.055
  962    H    ASP 119           HN       ASP 119  10.733  21.597  -1.806
  963    HA   ASP 119           HA       ASP 119   8.267  22.498  -3.092
  964   1HB   ASP 119          HB3       ASP 119  10.205  24.075  -2.927
  965   2HB   ASP 119          HB2       ASP 119  11.119  22.997  -3.983
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1  20.756 -12.253   1.731
    2   2H    MET   1          HT2       MET   1  21.207 -12.292   3.401
    3   3H    MET   1          HT3       MET   1  22.423 -12.230   2.175
    4    HA   MET   1           HA       MET   1  21.646 -10.093   1.479
    5   1HB   MET   1          HB2       MET   1  19.314 -10.454   2.247
    6   2HB   MET   1          HB3       MET   1  19.866 -10.329   3.910
    7   1HG   MET   1          HG2       MET   1  20.543  -8.024   3.512
    8   2HG   MET   1          HG3       MET   1  20.026  -8.154   1.831
    9   1HE   MET   1          HE1       MET   1  17.795  -5.674   3.873
   10   2HE   MET   1          HE2       MET   1  19.296  -5.887   2.962
   11   3HE   MET   1          HE3       MET   1  17.745  -5.964   2.135
   12    H    GLY   2           HN       GLY   2  23.606  -9.256   1.908
   13   1HA   GLY   2          HA1       GLY   2  24.907  -9.589   4.426
   14   2HA   GLY   2          HA2       GLY   2  25.455  -8.550   3.114
   15    H    ASP   3           HN       ASP   3  24.442  -6.442   2.892
   16    HA   ASP   3           HA       ASP   3  24.155  -5.166   5.440
   17   1HB   ASP   3          HB2       ASP   3  25.172  -4.012   3.466
   18   2HB   ASP   3          HB3       ASP   3  23.578  -3.945   2.721
   19    H    THR   4           HN       THR   4  22.402  -5.386   6.587
   20    HA   THR   4           HA       THR   4  19.794  -5.542   5.221
   21    HB   THR   4           HB       THR   4  20.340  -6.358   8.071
   22    HG1  THR   4           HG1      THR   4  21.818  -7.411   6.511
   23   1HG2  THR   4          HG21      THR   4  18.487  -7.639   6.092
   24   2HG2  THR   4          HG22      THR   4  17.990  -6.301   7.120
   25   3HG2  THR   4          HG23      THR   4  18.509  -7.820   7.843
   26    H    GLY   5           HN       GLY   5  21.786  -3.435   6.745
   27   1HA   GLY   5          HA2       GLY   5  19.552  -1.986   8.014
   28   2HA   GLY   5          HA1       GLY   5  21.245  -1.795   8.452
   29    H    LYS   6           HN       LYS   6  20.010  -1.965   5.177
   30    HA   LYS   6           HA       LYS   6  21.045   0.722   4.683
   31   1HB   LYS   6          HB3       LYS   6  21.716  -1.224   3.241
   32   2HB   LYS   6          HB2       LYS   6  20.065  -1.258   2.638
   33   1HG   LYS   6          HG2       LYS   6  21.457  -0.072   1.076
   34   2HG   LYS   6          HG3       LYS   6  20.357   1.079   1.841
   35   1HD   LYS   6          HD3       LYS   6  22.191   1.677   3.442
   36   2HD   LYS   6          HD2       LYS   6  23.273   0.622   2.528
   37   1HE   LYS   6          HE2       LYS   6  23.686   2.800   1.697
   38   2HE   LYS   6          HE3       LYS   6  22.671   2.019   0.486
   39   1HZ   LYS   6          HZ1       LYS   6  21.071   3.505   0.766
   40   2HZ   LYS   6          HZ2       LYS   6  22.177   4.436   1.640
   41   3HZ   LYS   6          HZ3       LYS   6  21.111   3.407   2.462
   42    H    LEU   7           HN       LEU   7  18.555  -0.627   2.631
   43    HA   LEU   7           HA       LEU   7  16.522   1.043   3.879
   44   1HB   LEU   7          HB3       LEU   7  17.425   1.320   1.019
   45   2HB   LEU   7          HB2       LEU   7  15.906   1.946   1.627
   46    HG   LEU   7           HG       LEU   7  18.586   2.806   2.742
   47   1HD1  LEU   7          HD21      LEU   7  17.196   3.550   0.301
   48   2HD1  LEU   7          HD22      LEU   7  17.560   4.912   1.342
   49   3HD1  LEU   7          HD23      LEU   7  18.861   3.861   0.777
   50   1HD2  LEU   7          HD11      LEU   7  17.176   4.728   3.511
   51   2HD2  LEU   7          HD12      LEU   7  15.761   3.821   2.978
   52   3HD2  LEU   7          HD13      LEU   7  16.783   3.188   4.270
   53    H    GLY   8           HN       GLY   8  14.443   0.816   2.439
   54   1HA   GLY   8          HA2       GLY   8  13.718  -1.229   0.851
   55   2HA   GLY   8          HA1       GLY   8  13.927  -2.039   2.398
   56    H    ARG   9           HN       ARG   9  12.582  -1.378   4.188
   57    HA   ARG   9           HA       ARG   9   9.971  -0.432   3.335
   58   1HB   ARG   9          HB3       ARG   9   9.301  -0.996   5.638
   59   2HB   ARG   9          HB2       ARG   9  10.065  -2.346   4.808
   60   1HG   ARG   9          HG2       ARG   9  12.204  -1.542   5.926
   61   2HG   ARG   9          HG3       ARG   9  11.135  -0.618   6.994
   62   1HD   ARG   9          HD2       ARG   9   9.965  -2.718   7.599
   63   2HD   ARG   9          HD3       ARG   9  11.046  -3.613   6.534
   64    HE   ARG   9           HE       ARG   9  11.595  -2.846   9.193
   65   1HH1  ARG   9          HH12      ARG   9  13.451  -3.525   6.098
   66   2HH1  ARG   9          HH11      ARG   9  14.307  -2.112   6.651
   67   1HH2  ARG   9          HH22      ARG   9  13.769  -3.801   9.894
   68   2HH2  ARG   9          HH21      ARG   9  15.024  -2.965   9.028
   69    H    ILE  10           HN       ILE  10   9.144   1.561   3.889
   70    HA   ILE  10           HA       ILE  10  10.706   3.249   5.680
   71    HB   ILE  10           HB       ILE  10  11.418   3.725   3.364
   72   1HG1  ILE  10          HG13      ILE  10  11.174   5.539   5.229
   73   2HG1  ILE  10          HG12      ILE  10  11.521   6.042   3.584
   74   1HG2  ILE  10          HG21      ILE  10   9.511   3.206   2.092
   75   2HG2  ILE  10          HG22      ILE  10   8.553   4.427   2.942
   76   3HG2  ILE  10          HG23      ILE  10   9.858   4.930   1.868
   77   1HD1  ILE  10          HD11      ILE  10   8.742   6.057   3.719
   78   2HD1  ILE  10          HD12      ILE  10   9.265   6.706   5.277
   79   3HD1  ILE  10          HD13      ILE  10   9.815   7.458   3.774
   80    H    ILE  11           HN       ILE  11   7.599   3.009   3.892
   81    HA   ILE  11           HA       ILE  11   6.380   4.748   5.904
   82    HB   ILE  11           HB       ILE  11   4.993   3.519   3.534
   83   1HG1  ILE  11          HG13      ILE  11   6.333   6.247   3.688
   84   2HG1  ILE  11          HG12      ILE  11   6.988   4.858   2.825
   85   1HG2  ILE  11          HG21      ILE  11   3.190   4.662   4.224
   86   2HG2  ILE  11          HG22      ILE  11   4.060   4.971   5.730
   87   3HG2  ILE  11          HG23      ILE  11   4.121   6.153   4.420
   88   1HD1  ILE  11          HD11      ILE  11   5.841   5.425   1.057
   89   2HD1  ILE  11          HD12      ILE  11   4.324   5.262   1.941
   90   3HD1  ILE  11          HD13      ILE  11   5.173   6.817   1.904
   91    H    ARG  12           HN       ARG  12   4.580   2.071   4.447
   92    HA   ARG  12           HA       ARG  12   4.636   0.576   6.955
   93   1HB   ARG  12          HB2       ARG  12   2.207   2.021   5.951
   94   2HB   ARG  12          HB3       ARG  12   2.032   0.531   6.872
   95   1HG   ARG  12          HG3       ARG  12   3.656   1.740   8.520
   96   2HG   ARG  12          HG2       ARG  12   3.018   3.184   7.736
   97   1HD   ARG  12          HD2       ARG  12   1.683   2.759   9.675
   98   2HD   ARG  12          HD3       ARG  12   0.700   2.385   8.258
   99    HE   ARG  12           HE       ARG  12   1.874   0.005   8.994
  100   1HH1  ARG  12          HH12      ARG  12  -0.634   2.170  10.547
  101   2HH1  ARG  12          HH11      ARG  12   0.226   1.591  11.936
  102   1HH2  ARG  12          HH21      ARG  12   0.091  -1.529   9.999
  103   2HH2  ARG  12          HH22      ARG  12   0.170  -1.012  11.671
  104    H    HIS  13           HN       HIS  13   2.981  -1.333   6.793
  105    HA   HIS  13           HA       HIS  13   2.437  -2.270   4.172
  106   1HB   HIS  13          HB2       HIS  13   3.924  -4.273   4.247
  107   2HB   HIS  13          HB3       HIS  13   4.790  -2.759   4.068
  108    HD1  HIS  13           HD1      HIS  13   6.523  -4.951   4.947
  109    HD2  HIS  13           HD2      HIS  13   4.264  -2.791   7.696
  110    HE1  HIS  13           HE1      HIS  13   7.621  -5.308   7.167
  111    HE2  HIS  13           HE2      HIS  13   6.127  -4.171   8.848
  112    H    ASP  14           HN       ASP  14   0.524  -3.134   4.455
  113    HA   ASP  14           HA       ASP  14   0.190  -5.196   6.487
  114   1HB   ASP  14          HB2       ASP  14  -1.264  -2.595   6.520
  115   2HB   ASP  14          HB3       ASP  14  -2.203  -4.052   6.857
  116    H    ALA  15           HN       ALA  15  -1.911  -6.378   6.227
  117    HA   ALA  15           HA       ALA  15  -2.361  -6.695   3.360
  118   1HB   ALA  15          HB1       ALA  15  -3.384  -8.649   5.359
  119   2HB   ALA  15          HB2       ALA  15  -2.768  -8.909   3.729
  120   3HB   ALA  15          HB3       ALA  15  -1.645  -8.589   5.047
  121    H    PHE  16           HN       PHE  16  -4.239  -6.225   2.426
  122    HA   PHE  16           HA       PHE  16  -6.630  -5.887   4.129
  123   1HB   PHE  16          HB2       PHE  16  -5.795  -4.184   1.753
  124   2HB   PHE  16          HB3       PHE  16  -7.386  -4.110   2.490
  125    HD1  PHE  16           HD1      PHE  16  -3.772  -3.618   3.328
  126    HD2  PHE  16           HD2      PHE  16  -7.816  -2.684   4.158
  127    HE1  PHE  16           HE1      PHE  16  -3.046  -1.949   4.974
  128    HE2  PHE  16           HE2      PHE  16  -7.121  -0.957   5.768
  129    HZ   PHE  16           HZ       PHE  16  -4.709  -0.602   6.198
  130    H    GLN  17           HN       GLN  17  -8.552  -6.650   3.287
  131    HA   GLN  17           HA       GLN  17  -8.386  -8.040   0.677
  132   1HB   GLN  17          HB3       GLN  17  -8.252  -9.667   2.522
  133   2HB   GLN  17          HB2       GLN  17  -9.759  -9.052   3.181
  134   1HG   GLN  17          HG2       GLN  17 -10.991  -9.866   1.303
  135   2HG   GLN  17          HG3       GLN  17  -9.508 -10.284   0.449
  136   1HE2  GLN  17          HE21      GLN  17  -8.972 -12.318   0.519
  137   2HE2  GLN  17          HE22      GLN  17  -9.183 -13.380   1.858
  138    H    VAL  18           HN       VAL  18  -9.192  -6.072  -0.071
  139    HA   VAL  18           HA       VAL  18 -12.089  -5.829   0.221
  140    HB   VAL  18           HB       VAL  18 -11.612  -3.294   0.029
  141   1HG1  VAL  18          HG21      VAL  18 -11.129  -4.806   2.583
  142   2HG1  VAL  18          HG22      VAL  18 -11.658  -3.131   2.424
  143   3HG1  VAL  18          HG23      VAL  18 -12.702  -4.436   1.878
  144   1HG2  VAL  18          HG11      VAL  18  -9.134  -3.771  -0.301
  145   2HG2  VAL  18          HG12      VAL  18  -9.575  -2.536   0.876
  146   3HG2  VAL  18          HG13      VAL  18  -9.097  -4.140   1.425
  147    H    TRP  19           HN       TRP  19 -13.135  -4.629  -1.379
  148    HA   TRP  19           HA       TRP  19 -12.848  -5.494  -3.878
  149   1HB   TRP  19          HB2       TRP  19 -13.945  -2.790  -3.135
  150   2HB   TRP  19          HB3       TRP  19 -14.416  -3.799  -4.499
  151    HD1  TRP  19           HD1      TRP  19 -15.918  -5.982  -3.939
  152    HE1  TRP  19           HE1      TRP  19 -17.444  -6.528  -1.913
  153    HE3  TRP  19           HE3      TRP  19 -14.138  -2.555  -0.622
  154    HZ2  TRP  19           HZ2      TRP  19 -17.841  -5.589   0.698
  155    HZ3  TRP  19           HZ3      TRP  19 -15.144  -2.441   1.636
  156    HH2  TRP  19           HH2      TRP  19 -16.961  -3.948   2.281
  157    H    GLU  20           HN       GLU  20 -11.659  -5.196  -5.563
  158    HA   GLU  20           HA       GLU  20  -9.553  -3.217  -5.543
  159   1HB   GLU  20          HB2       GLU  20  -9.273  -5.645  -6.205
  160   2HB   GLU  20          HB3       GLU  20 -10.114  -5.231  -7.693
  161   1HG   GLU  20          HG3       GLU  20  -8.391  -3.844  -8.421
  162   2HG   GLU  20          HG2       GLU  20  -7.678  -3.747  -6.811
  163    H    GLY  21           HN       GLY  21 -12.317  -2.532  -5.841
  164   1HA   GLY  21          HA2       GLY  21 -12.659  -0.315  -7.088
  165   2HA   GLY  21          HA1       GLY  21 -12.421  -1.321  -8.523
  166    H    ASP  22           HN       ASP  22 -14.429  -1.343  -9.412
  167    HA   ASP  22           HA       ASP  22 -16.684  -2.021  -7.682
  168   1HB   ASP  22          HB2       ASP  22 -16.506  -1.175 -10.565
  169   2HB   ASP  22          HB3       ASP  22 -17.968  -1.900  -9.909
  170    H    GLU  23           HN       GLU  23 -14.370  -3.748  -8.419
  171    HA   GLU  23           HA       GLU  23 -15.737  -6.047  -9.634
  172   1HB   GLU  23          HB2       GLU  23 -12.769  -5.540  -9.255
  173   2HB   GLU  23          HB3       GLU  23 -13.483  -6.897 -10.111
  174   1HG   GLU  23          HG3       GLU  23 -14.294  -5.437 -11.833
  175   2HG   GLU  23          HG2       GLU  23 -13.764  -4.017 -10.931
  176    HA   PRO  24           HA       PRO  24 -15.763  -8.611  -6.002
  177   1HB   PRO  24          HB2       PRO  24 -13.458 -10.138  -7.148
  178   2HB   PRO  24          HB3       PRO  24 -14.963 -10.741  -6.445
  179   1HG   PRO  24          HG2       PRO  24 -14.601 -10.666  -9.105
  180   2HG   PRO  24          HG3       PRO  24 -16.183 -10.318  -8.385
  181   1HD   PRO  24          HD2       PRO  24 -14.240  -8.474  -9.661
  182   2HD   PRO  24          HD3       PRO  24 -16.002  -8.327  -9.488
  183    HA   PRO  25           HA       PRO  25 -12.546  -7.024  -3.330
  184   1HB   PRO  25          HB3       PRO  25 -13.006  -8.569  -1.169
  185   2HB   PRO  25          HB2       PRO  25 -14.059  -7.237  -1.638
  186   1HG   PRO  25          HG3       PRO  25 -14.397 -10.174  -2.140
  187   2HG   PRO  25          HG2       PRO  25 -15.598  -8.997  -1.577
  188   1HD   PRO  25          HD2       PRO  25 -15.442  -9.810  -4.154
  189   2HD   PRO  25          HD3       PRO  25 -15.962  -8.174  -3.703
  190    H    LYS  26           HN       LYS  26 -10.441  -7.563  -2.837
  191    HA   LYS  26           HA       LYS  26  -9.663 -10.382  -3.075
  192   1HB   LYS  26          HB2       LYS  26  -9.557  -9.284  -5.322
  193   2HB   LYS  26          HB3       LYS  26  -8.378  -8.164  -4.668
  194   1HG   LYS  26          HG3       LYS  26  -6.925 -10.121  -4.187
  195   2HG   LYS  26          HG2       LYS  26  -8.058 -11.117  -5.111
  196   1HD   LYS  26          HD2       LYS  26  -6.610  -8.678  -6.145
  197   2HD   LYS  26          HD3       LYS  26  -6.173 -10.344  -6.507
  198   1HE   LYS  26          HE3       LYS  26  -8.160 -10.672  -7.767
  199   2HE   LYS  26          HE2       LYS  26  -8.866  -9.171  -7.178
  200   1HZ   LYS  26          HZ1       LYS  26  -7.912  -9.191  -9.495
  201   2HZ   LYS  26          HZ2       LYS  26  -6.381  -9.161  -8.762
  202   3HZ   LYS  26          HZ3       LYS  26  -7.485  -7.904  -8.480
  203    H    LEU  27           HN       LEU  27  -7.748 -10.920  -2.050
  204    HA   LEU  27           HA       LEU  27  -6.851  -9.211   0.048
  205   1HB   LEU  27          HB3       LEU  27  -6.828 -11.608   0.409
  206   2HB   LEU  27          HB2       LEU  27  -5.800 -11.866  -1.000
  207    HG   LEU  27           HG       LEU  27  -3.962 -10.718   0.141
  208   1HD1  LEU  27          HD21      LEU  27  -4.538 -10.672   2.808
  209   2HD1  LEU  27          HD22      LEU  27  -4.517  -9.265   1.730
  210   3HD1  LEU  27          HD23      LEU  27  -6.047 -10.072   2.093
  211   1HD2  LEU  27          HD11      LEU  27  -4.929 -13.265   0.632
  212   2HD2  LEU  27          HD12      LEU  27  -3.312 -12.666   0.995
  213   3HD2  LEU  27          HD13      LEU  27  -4.556 -12.630   2.238
  214    H    ARG  28           HN       ARG  28  -5.311  -7.766   0.010
  215    HA   ARG  28           HA       ARG  28  -3.193  -7.950  -1.984
  216   1HB   ARG  28          HB3       ARG  28  -5.173  -5.751  -1.691
  217   2HB   ARG  28          HB2       ARG  28  -3.494  -5.275  -1.906
  218   1HG   ARG  28          HG2       ARG  28  -4.272  -5.342  -4.078
  219   2HG   ARG  28          HG3       ARG  28  -3.565  -6.943  -3.878
  220   1HD   ARG  28          HD2       ARG  28  -5.754  -6.991  -5.013
  221   2HD   ARG  28          HD3       ARG  28  -5.737  -7.901  -3.501
  222    HE   ARG  28           HE       ARG  28  -7.408  -6.539  -2.774
  223   1HH1  ARG  28          HH12      ARG  28  -6.384  -4.761  -5.801
  224   2HH1  ARG  28          HH11      ARG  28  -5.672  -3.654  -4.661
  225   1HH2  ARG  28          HH22      ARG  28  -8.827  -4.710  -2.859
  226   2HH2  ARG  28          HH21      ARG  28  -8.209  -3.240  -3.547
  227    H    TYR  29           HN       TYR  29  -1.286  -7.634  -1.106
  228    HA   TYR  29           HA       TYR  29  -1.026  -6.779   1.655
  229   1HB   TYR  29          HB3       TYR  29   0.929  -7.801  -0.395
  230   2HB   TYR  29          HB2       TYR  29   1.414  -7.283   1.219
  231    HD1  TYR  29           HD1      TYR  29  -0.032  -8.452   3.148
  232    HD2  TYR  29           HD2      TYR  29   0.544 -10.027  -0.760
  233    HE1  TYR  29           HE1      TYR  29  -0.490 -10.707   4.019
  234    HE2  TYR  29           HE2      TYR  29   0.072 -12.297   0.094
  235    HH   TYR  29           HH       TYR  29  -1.113 -12.865   3.332
  236    H    VAL  30           HN       VAL  30  -1.633  -4.633   1.500
  237    HA   VAL  30           HA       VAL  30  -0.470  -2.814  -0.352
  238    HB   VAL  30           HB       VAL  30  -1.895  -2.231   2.225
  239   1HG1  VAL  30          HG21      VAL  30  -0.898  -0.542   0.021
  240   2HG1  VAL  30          HG22      VAL  30  -2.510  -0.170   0.637
  241   3HG1  VAL  30          HG23      VAL  30  -1.125  -0.168   1.728
  242   1HG2  VAL  30          HG11      VAL  30  -3.172  -3.660   0.606
  243   2HG2  VAL  30          HG12      VAL  30  -3.940  -2.136   1.034
  244   3HG2  VAL  30          HG13      VAL  30  -3.139  -2.310  -0.534
  245    H    PHE  31           HN       PHE  31   1.719  -2.942  -0.211
  246    HA   PHE  31           HA       PHE  31   3.004  -2.100   2.311
  247   1HB   PHE  31          HB3       PHE  31   4.188  -3.469  -0.134
  248   2HB   PHE  31          HB2       PHE  31   5.118  -2.967   1.268
  249    HD1  PHE  31           HD1      PHE  31   5.753  -5.474   0.832
  250    HD2  PHE  31           HD2      PHE  31   2.043  -4.161   2.441
  251    HE1  PHE  31           HE1      PHE  31   5.370  -7.707   1.861
  252    HE2  PHE  31           HE2      PHE  31   1.727  -6.335   3.528
  253    HZ   PHE  31           HZ       PHE  31   3.377  -8.105   3.230
  254    H    LEU  32           HN       LEU  32   3.590   0.047   2.355
  255    HA   LEU  32           HA       LEU  32   3.935   1.327  -0.268
  256   1HB   LEU  32          HB2       LEU  32   3.975   3.093   2.061
  257   2HB   LEU  32          HB3       LEU  32   3.094   3.213   0.550
  258    HG   LEU  32           HG       LEU  32   2.201   1.468   2.851
  259   1HD1  LEU  32          HD11      LEU  32   1.479   3.329   3.855
  260   2HD1  LEU  32          HD12      LEU  32   2.067   4.336   2.540
  261   3HD1  LEU  32          HD13      LEU  32   0.453   3.647   2.458
  262   1HD2  LEU  32          HD21      LEU  32   0.073   2.297   1.229
  263   2HD2  LEU  32          HD22      LEU  32   1.341   1.817   0.114
  264   3HD2  LEU  32          HD23      LEU  32   0.757   0.684   1.333
  265    H    PHE  33           HN       PHE  33   5.867   2.051  -0.933
  266    HA   PHE  33           HA       PHE  33   8.005   2.186   1.086
  267   1HB   PHE  33          HB2       PHE  33   8.289   1.165  -1.747
  268   2HB   PHE  33          HB3       PHE  33   9.603   1.327  -0.588
  269    HD1  PHE  33           HD1      PHE  33   8.941   0.159   1.774
  270    HD2  PHE  33           HD2      PHE  33   7.494  -0.959  -2.078
  271    HE1  PHE  33           HE1      PHE  33   8.463  -2.093   2.600
  272    HE2  PHE  33           HE2      PHE  33   7.014  -3.232  -1.230
  273    HZ   PHE  33           HZ       PHE  33   7.505  -3.793   1.103
  274    H    ARG  34           HN       ARG  34  10.054   3.075  -0.492
  275    HA   ARG  34           HA       ARG  34   9.494   5.856  -0.521
  276   1HB   ARG  34          HB3       ARG  34  11.644   5.058   0.190
  277   2HB   ARG  34          HB2       ARG  34  11.947   4.322  -1.377
  278   1HG   ARG  34          HG3       ARG  34  11.966   6.590  -2.366
  279   2HG   ARG  34          HG2       ARG  34  11.761   7.259  -0.742
  280   1HD   ARG  34          HD2       ARG  34  13.826   6.055  -0.067
  281   2HD   ARG  34          HD3       ARG  34  14.054   5.569  -1.749
  282    HE   ARG  34           HE       ARG  34  13.780   8.329  -1.756
  283   1HH1  ARG  34          HH12      ARG  34  16.557   6.073  -1.447
  284   2HH1  ARG  34          HH11      ARG  34  17.051   6.915  -0.008
  285   1HH2  ARG  34          HH21      ARG  34  16.357   9.290  -2.293
  286   2HH2  ARG  34          HH22      ARG  34  16.451   9.597  -0.581
  287    H    ASN  35           HN       ASN  35  10.443   3.613  -3.141
  288    HA   ASN  35           HA       ASN  35  10.194   5.649  -5.134
  289   1HB   ASN  35          HB3       ASN  35  11.649   3.633  -5.416
  290   2HB   ASN  35          HB2       ASN  35  10.204   2.628  -5.467
  291   1HD2  ASN  35          HD21      ASN  35   9.713   2.024  -7.450
  292   2HD2  ASN  35          HD22      ASN  35  10.092   2.890  -8.898
  293    H    LYS  36           HN       LYS  36   8.098   2.939  -4.118
  294    HA   LYS  36           HA       LYS  36   5.741   4.384  -4.836
  295   1HB   LYS  36          HB2       LYS  36   4.925   2.816  -6.551
  296   2HB   LYS  36          HB3       LYS  36   6.327   3.739  -7.070
  297   1HG   LYS  36          HG3       LYS  36   7.760   1.814  -6.664
  298   2HG   LYS  36          HG2       LYS  36   6.342   0.879  -6.165
  299   1HD   LYS  36          HD2       LYS  36   5.334   1.336  -8.405
  300   2HD   LYS  36          HD3       LYS  36   6.847   2.120  -8.861
  301   1HE   LYS  36          HE3       LYS  36   8.070   0.062  -8.480
  302   2HE   LYS  36          HE2       LYS  36   6.586  -0.756  -8.006
  303   1HZ   LYS  36          HZ1       LYS  36   5.765  -0.183 -10.314
  304   2HZ   LYS  36          HZ2       LYS  36   6.998  -1.334 -10.245
  305   3HZ   LYS  36          HZ3       LYS  36   7.348   0.263 -10.697
  306    H    ILE  37           HN       ILE  37   3.817   2.762  -4.789
  307    HA   ILE  37           HA       ILE  37   4.065   1.274  -2.290
  308    HB   ILE  37           HB       ILE  37   1.635   1.867  -3.981
  309   1HG1  ILE  37          HG13      ILE  37   2.537   3.103  -1.388
  310   2HG1  ILE  37          HG12      ILE  37   2.626   3.865  -2.971
  311   1HG2  ILE  37          HG21      ILE  37   0.301   0.779  -2.480
  312   2HG2  ILE  37          HG22      ILE  37   1.751  -0.203  -2.315
  313   3HG2  ILE  37          HG23      ILE  37   1.401   1.051  -1.127
  314   1HD1  ILE  37          HD11      ILE  37   0.701   4.799  -2.043
  315   2HD1  ILE  37          HD12      ILE  37   0.093   3.495  -3.066
  316   3HD1  ILE  37          HD13      ILE  37   0.203   3.259  -1.323
  317    H    MET  38           HN       MET  38   4.131  -0.950  -2.266
  318    HA   MET  38           HA       MET  38   3.627  -2.406  -4.793
  319   1HB   MET  38          HB2       MET  38   5.487  -2.916  -2.483
  320   2HB   MET  38          HB3       MET  38   5.132  -4.155  -3.667
  321   1HG   MET  38          HG2       MET  38   6.061  -2.737  -5.413
  322   2HG   MET  38          HG3       MET  38   6.311  -1.443  -4.243
  323   1HE   MET  38          HE1       MET  38   8.813  -1.104  -4.841
  324   2HE   MET  38          HE2       MET  38   9.982  -2.422  -4.965
  325   3HE   MET  38          HE3       MET  38   8.656  -2.309  -6.124
  326    H    PHE  39           HN       PHE  39   1.650  -3.357  -4.711
  327    HA   PHE  39           HA       PHE  39   1.037  -4.709  -2.198
  328   1HB   PHE  39          HB3       PHE  39  -1.278  -4.111  -2.258
  329   2HB   PHE  39          HB2       PHE  39  -0.293  -2.661  -2.347
  330    HD1  PHE  39           HD1      PHE  39   0.255  -1.948  -4.885
  331    HD2  PHE  39           HD2      PHE  39  -3.145  -4.145  -3.583
  332    HE1  PHE  39           HE1      PHE  39  -0.999  -1.220  -6.900
  333    HE2  PHE  39           HE2      PHE  39  -4.410  -3.407  -5.568
  334    HZ   PHE  39           HZ       PHE  39  -3.313  -1.949  -7.222
  335    H    THR  40           HN       THR  40   1.818  -6.613  -3.033
  336    HA   THR  40           HA       THR  40   0.890  -7.773  -5.442
  337    HB   THR  40           HB       THR  40   1.911  -9.874  -4.334
  338    HG1  THR  40           HG1      THR  40   1.718  -8.817  -2.192
  339   1HG2  THR  40          HG21      THR  40   3.775  -9.371  -5.367
  340   2HG2  THR  40          HG22      THR  40   4.116  -8.033  -4.265
  341   3HG2  THR  40          HG23      THR  40   3.087  -7.780  -5.682
  342    H    GLU  41           HN       GLU  41  -0.773  -9.240  -5.788
  343    HA   GLU  41           HA       GLU  41  -2.491  -9.856  -3.484
  344   1HB   GLU  41          HB3       GLU  41  -4.419  -9.420  -4.799
  345   2HB   GLU  41          HB2       GLU  41  -3.345  -8.047  -4.960
  346   1HG   GLU  41          HG2       GLU  41  -3.335 -10.242  -6.999
  347   2HG   GLU  41          HG3       GLU  41  -4.564  -8.981  -7.048
  348    H    GLN  42           HN       GLN  42  -4.093 -11.539  -3.969
  349    HA   GLN  42           HA       GLN  42  -4.271 -13.374  -5.904
  350   1HB   GLN  42          HB2       GLN  42  -1.780 -13.839  -4.451
  351   2HB   GLN  42          HB3       GLN  42  -2.836 -15.239  -4.543
  352   1HG   GLN  42          HG3       GLN  42  -1.946 -13.640  -6.909
  353   2HG   GLN  42          HG2       GLN  42  -1.204 -15.149  -6.389
  354   1HE2  GLN  42          HE21      GLN  42  -3.262 -13.905  -8.595
  355   2HE2  GLN  42          HE22      GLN  42  -4.220 -15.321  -8.891
  356    H    ASP  43           HN       ASP  43  -6.251 -13.477  -5.133
  357    HA   ASP  43           HA       ASP  43  -6.707 -15.150  -2.812
  358   1HB   ASP  43          HB2       ASP  43  -6.840 -12.930  -1.913
  359   2HB   ASP  43          HB3       ASP  43  -7.902 -12.403  -3.217
  360    H    ALA  44           HN       ALA  44  -7.996 -16.738  -3.377
  361    HA   ALA  44           HA       ALA  44  -9.864 -16.346  -5.613
  362   1HB   ALA  44          HB1       ALA  44  -8.798 -18.189  -6.320
  363   2HB   ALA  44          HB2       ALA  44  -8.183 -18.564  -4.708
  364   3HB   ALA  44          HB3       ALA  44  -9.827 -19.056  -5.160
  365    H    SER  45           HN       SER  45  -9.633 -17.067  -2.239
  366    HA   SER  45           HA       SER  45 -12.550 -17.056  -1.985
  367   1HB   SER  45          HB3       SER  45 -10.800 -19.100  -0.580
  368   2HB   SER  45          HB2       SER  45 -12.560 -18.952  -0.488
  369    HG   SER  45           HG       SER  45 -12.757 -19.614  -2.564
  370    H    THR  46           HN       THR  46 -10.560 -17.891   0.770
  371    HA   THR  46           HA       THR  46 -10.715 -15.101   1.698
  372    HB   THR  46           HB       THR  46 -10.747 -16.345   4.031
  373    HG1  THR  46           HG1      THR  46 -10.742 -18.430   3.511
  374   1HG2  THR  46          HG21      THR  46 -12.524 -14.837   3.253
  375   2HG2  THR  46          HG22      THR  46 -13.168 -16.250   4.094
  376   3HG2  THR  46          HG23      THR  46 -13.222 -16.167   2.336
  377    H    SER  47           HN       SER  47  -8.630 -14.978   0.662
  378    HA   SER  47           HA       SER  47  -6.392 -14.709   0.749
  379   1HB   SER  47          HB3       SER  47  -6.476 -15.543   3.645
  380   2HB   SER  47          HB2       SER  47  -5.299 -14.495   2.854
  381    HG   SER  47           HG       SER  47  -6.569 -13.025   3.627
  382    HA   PRO  48           HA       PRO  48  -5.697 -19.480   0.999
  383   1HB   PRO  48          HB2       PRO  48  -6.308 -19.665  -1.848
  384   2HB   PRO  48          HB3       PRO  48  -6.854 -20.684  -0.503
  385   1HG   PRO  48          HG2       PRO  48  -8.517 -18.998  -1.769
  386   2HG   PRO  48          HG3       PRO  48  -8.654 -19.305  -0.023
  387   1HD   PRO  48          HD2       PRO  48  -7.417 -16.970  -1.418
  388   2HD   PRO  48          HD3       PRO  48  -8.480 -16.983   0.001
  389    HA   PRO  49           HA       PRO  49  -2.380 -18.918  -2.333
  390   1HB   PRO  49          HB3       PRO  49  -2.872 -16.693  -4.103
  391   2HB   PRO  49          HB2       PRO  49  -2.812 -18.409  -4.503
  392   1HG   PRO  49          HG3       PRO  49  -5.102 -16.886  -4.584
  393   2HG   PRO  49          HG2       PRO  49  -5.082 -18.646  -4.409
  394   1HD   PRO  49          HD3       PRO  49  -5.419 -16.503  -2.322
  395   2HD   PRO  49          HD2       PRO  49  -6.235 -18.079  -2.467
  396    H    SER  50           HN       SER  50  -3.778 -15.827  -1.376
  397    HA   SER  50           HA       SER  50  -2.943 -14.147  -0.131
  398   1HB   SER  50          HB2       SER  50  -0.249 -15.525  -0.178
  399   2HB   SER  50          HB3       SER  50  -0.742 -14.200   0.873
  400    HG   SER  50           HG       SER  50  -1.968 -16.763   0.828
  401    H    TYR  51           HN       TYR  51   0.013 -14.819  -2.048
  402    HA   TYR  51           HA       TYR  51  -0.789 -12.735  -3.882
  403   1HB   TYR  51          HB2       TYR  51   0.929 -11.174  -3.496
  404   2HB   TYR  51          HB3       TYR  51   0.365 -11.597  -1.888
  405    HD1  TYR  51           HD1      TYR  51   1.689 -13.664  -0.823
  406    HD2  TYR  51           HD2      TYR  51   3.219 -11.048  -3.787
  407    HE1  TYR  51           HE1      TYR  51   3.979 -14.240  -0.135
  408    HE2  TYR  51           HE2      TYR  51   5.540 -11.583  -3.079
  409    HH   TYR  51           HH       TYR  51   6.321 -12.925  -0.270
  410    H    THR  52           HN       THR  52   0.341 -12.674  -5.774
  411    HA   THR  52           HA       THR  52   2.615 -14.360  -6.281
  412    HB   THR  52           HB       THR  52  -0.062 -14.990  -7.550
  413    HG1  THR  52           HG1      THR  52   1.062 -15.969  -5.404
  414   1HG2  THR  52          HG21      THR  52   0.992 -16.697  -8.853
  415   2HG2  THR  52          HG22      THR  52   2.571 -16.302  -8.176
  416   3HG2  THR  52          HG23      THR  52   1.741 -15.145  -9.208
  417    H    HIS  53           HN       HIS  53  -0.038 -12.410  -7.500
  418    HA   HIS  53           HA       HIS  53   1.447 -11.576  -9.827
  419   1HB   HIS  53          HB3       HIS  53  -0.927 -11.732 -10.062
  420   2HB   HIS  53          HB2       HIS  53  -1.213 -10.717  -8.657
  421    HD1  HIS  53           HD1      HIS  53  -0.669  -8.131  -8.984
  422    HD2  HIS  53           HD2      HIS  53  -0.787 -10.419 -12.454
  423    HE1  HIS  53           HE1      HIS  53  -0.856  -6.463 -10.888
  424    HE2  HIS  53           HE2      HIS  53  -1.129  -7.895 -12.961
  425    H    TYR  54           HN       TYR  54   2.563  -9.662 -10.075
  426    HA   TYR  54           HA       TYR  54   3.227  -8.306  -7.571
  427   1HB   TYR  54          HB3       TYR  54   4.980  -9.216  -9.158
  428   2HB   TYR  54          HB2       TYR  54   4.527  -7.930 -10.264
  429    HD1  TYR  54           HD1      TYR  54   5.503  -8.336  -6.679
  430    HD2  TYR  54           HD2      TYR  54   5.820  -6.020 -10.242
  431    HE1  TYR  54           HE1      TYR  54   7.115  -6.854  -5.556
  432    HE2  TYR  54           HE2      TYR  54   7.439  -4.518  -9.118
  433    HH   TYR  54           HH       TYR  54   8.058  -4.712  -5.689
  434    H    SER  55           HN       SER  55   1.581  -6.849  -7.200
  435    HA   SER  55           HA       SER  55   0.986  -4.958  -9.392
  436   1HB   SER  55          HB2       SER  55  -0.860  -6.212  -8.165
  437   2HB   SER  55          HB3       SER  55  -0.499  -5.220  -6.757
  438    HG   SER  55           HG       SER  55  -2.212  -4.332  -7.982
  439    H    SER  56           HN       SER  56   1.095  -2.701  -9.008
  440    HA   SER  56           HA       SER  56   2.319  -1.729  -6.573
  441   1HB   SER  56          HB3       SER  56   3.719  -1.488  -9.259
  442   2HB   SER  56          HB2       SER  56   4.215  -0.701  -7.764
  443    HG   SER  56           HG       SER  56   3.936  -3.261  -7.219
  444    H    ILE  57           HN       ILE  57   2.238   0.477  -6.358
  445    HA   ILE  57           HA       ILE  57   0.584   1.946  -8.264
  446    HB   ILE  57           HB       ILE  57   0.537   2.011  -5.271
  447   1HG1  ILE  57          HG13      ILE  57  -0.900   0.326  -6.442
  448   2HG1  ILE  57          HG12      ILE  57  -1.807   1.481  -5.470
  449   1HG2  ILE  57          HG21      ILE  57  -1.374   3.824  -6.026
  450   2HG2  ILE  57          HG22      ILE  57   0.238   4.253  -5.434
  451   3HG2  ILE  57          HG23      ILE  57  -0.079   4.161  -7.175
  452   1HD1  ILE  57          HD11      ILE  57  -1.441   2.103  -8.346
  453   2HD1  ILE  57          HD12      ILE  57  -2.541   0.783  -7.905
  454   3HD1  ILE  57          HD13      ILE  57  -2.807   2.403  -7.264
  455    H    ARG  58           HN       ARG  58   2.168   2.975  -9.306
  456    HA   ARG  58           HA       ARG  58   4.569   3.940  -8.337
  457   1HB   ARG  58          HB2       ARG  58   4.845   4.591 -10.469
  458   2HB   ARG  58          HB3       ARG  58   3.177   4.116 -10.777
  459   1HG   ARG  58          HG2       ARG  58   2.896   6.622  -9.718
  460   2HG   ARG  58          HG3       ARG  58   4.403   6.752 -10.621
  461   1HD   ARG  58          HD3       ARG  58   3.100   5.603 -12.536
  462   2HD   ARG  58          HD2       ARG  58   1.665   6.115 -11.643
  463    HE   ARG  58           HE       ARG  58   2.022   8.252 -12.356
  464   1HH1  ARG  58          HH11      ARG  58   4.610   6.445 -13.798
  465   2HH1  ARG  58          HH12      ARG  58   5.800   7.690 -13.556
  466   1HH2  ARG  58          HH22      ARG  58   3.670   9.630 -14.358
  467   2HH2  ARG  58          HH21      ARG  58   4.389  10.123 -12.840
  468    H    LEU  59           HN       LEU  59   5.143   5.473  -6.963
  469    HA   LEU  59           HA       LEU  59   3.168   7.094  -5.680
  470   1HB   LEU  59          HB2       LEU  59   5.534   6.041  -4.908
  471   2HB   LEU  59          HB3       LEU  59   6.058   7.669  -5.284
  472    HG   LEU  59           HG       LEU  59   4.037   8.329  -3.717
  473   1HD1  LEU  59          HD11      LEU  59   4.733   5.606  -2.662
  474   2HD1  LEU  59          HD12      LEU  59   3.589   6.750  -1.960
  475   3HD1  LEU  59          HD13      LEU  59   3.241   5.987  -3.516
  476   1HD2  LEU  59          HD21      LEU  59   5.543   8.340  -1.821
  477   2HD2  LEU  59          HD22      LEU  59   6.617   7.196  -2.631
  478   3HD2  LEU  59          HD23      LEU  59   6.393   8.820  -3.289
  479    H    ASP  60           HN       ASP  60   5.176   7.491  -8.421
  480    HA   ASP  60           HA       ASP  60   5.747  10.204  -8.325
  481   1HB   ASP  60          HB3       ASP  60   6.706   8.625  -9.975
  482   2HB   ASP  60          HB2       ASP  60   5.127   8.511 -10.745
  483    H    LYS  61           HN       LYS  61   2.865   8.707  -9.905
  484    HA   LYS  61           HA       LYS  61   1.547  11.287  -9.484
  485   1HB   LYS  61          HB3       LYS  61   1.934   9.855 -12.070
  486   2HB   LYS  61          HB2       LYS  61   0.430  10.730 -11.814
  487   1HG   LYS  61          HG3       LYS  61   1.972  12.707 -11.153
  488   2HG   LYS  61          HG2       LYS  61   3.213  11.789 -12.014
  489   1HD   LYS  61          HD3       LYS  61   1.892  11.785 -14.012
  490   2HD   LYS  61          HD2       LYS  61   0.527  12.545 -13.198
  491   1HE   LYS  61          HE3       LYS  61   1.904  14.558 -12.824
  492   2HE   LYS  61          HE2       LYS  61   3.273  13.787 -13.629
  493   1HZ   LYS  61          HZ1       LYS  61   2.479  14.616 -15.509
  494   2HZ   LYS  61          HZ2       LYS  61   1.057  15.155 -14.745
  495   3HZ   LYS  61          HZ3       LYS  61   1.161  13.580 -15.374
  496    H    TYR  62           HN       TYR  62   0.575  10.048  -7.697
  497    HA   TYR  62           HA       TYR  62  -1.931   8.904  -8.643
  498   1HB   TYR  62          HB3       TYR  62  -1.836   6.894  -7.542
  499   2HB   TYR  62          HB2       TYR  62  -0.135   7.065  -7.957
  500    HD1  TYR  62           HD1      TYR  62  -2.546   6.850  -5.318
  501    HD2  TYR  62           HD2      TYR  62   1.493   7.826  -6.196
  502    HE1  TYR  62           HE1      TYR  62  -2.024   6.667  -2.930
  503    HE2  TYR  62           HE2      TYR  62   2.062   7.633  -3.796
  504    HH   TYR  62           HH       TYR  62   0.357   7.916  -1.474
  505    H    ASN  63           HN       ASN  63  -3.669   9.341  -7.224
  506    HA   ASN  63           HA       ASN  63  -2.918  11.187  -5.031
  507   1HB   ASN  63          HB2       ASN  63  -4.175  12.169  -6.984
  508   2HB   ASN  63          HB3       ASN  63  -5.550  11.205  -6.464
  509   1HD2  ASN  63          HD21      ASN  63  -4.190  14.179  -6.279
  510   2HD2  ASN  63          HD22      ASN  63  -4.826  14.695  -4.758
  511    H    ILE  64           HN       ILE  64  -3.082  10.179  -3.175
  512    HA   ILE  64           HA       ILE  64  -5.157   8.146  -2.804
  513    HB   ILE  64           HB       ILE  64  -2.736   7.657  -2.169
  514   1HG1  ILE  64          HG12      ILE  64  -4.670   7.406   0.120
  515   2HG1  ILE  64          HG13      ILE  64  -4.782   6.415  -1.327
  516   1HG2  ILE  64          HG21      ILE  64  -2.184   8.475   0.198
  517   2HG2  ILE  64          HG22      ILE  64  -1.953   9.586  -1.153
  518   3HG2  ILE  64          HG23      ILE  64  -3.377   9.735  -0.125
  519   1HD1  ILE  64          HD11      ILE  64  -3.016   5.152  -0.747
  520   2HD1  ILE  64          HD12      ILE  64  -2.182   6.475   0.084
  521   3HD1  ILE  64          HD13      ILE  64  -3.537   5.652   0.864
  522    H    ARG  65           HN       ARG  65  -6.785   8.334  -1.333
  523    HA   ARG  65           HA       ARG  65  -6.927  10.744   0.354
  524   1HB   ARG  65          HB3       ARG  65  -9.030   9.852  -1.624
  525   2HB   ARG  65          HB2       ARG  65  -9.318  11.030  -0.362
  526   1HG   ARG  65          HG2       ARG  65  -7.276  11.356  -2.532
  527   2HG   ARG  65          HG3       ARG  65  -8.904  12.023  -2.587
  528   1HD   ARG  65          HD2       ARG  65  -6.900  12.677  -0.438
  529   2HD   ARG  65          HD3       ARG  65  -7.167  13.655  -1.883
  530    HE   ARG  65           HE       ARG  65  -8.747  13.634   0.494
  531   1HH1  ARG  65          HH12      ARG  65  -9.015  14.042  -2.994
  532   2HH1  ARG  65          HH11      ARG  65  -9.985  15.455  -2.763
  533   1HH2  ARG  65          HH21      ARG  65 -11.156  14.425   0.292
  534   2HH2  ARG  65          HH22      ARG  65 -10.745  15.933  -0.481
  535    H    GLN  66           HN       GLN  66  -9.374  10.437   1.447
  536    HA   GLN  66           HA       GLN  66  -9.844   7.682   2.120
  537   1HB   GLN  66          HB2       GLN  66  -9.469   7.910   4.500
  538   2HB   GLN  66          HB3       GLN  66  -7.986   8.283   3.634
  539   1HG   GLN  66          HG2       GLN  66  -8.656  10.723   3.861
  540   2HG   GLN  66          HG3       GLN  66  -9.854  10.164   5.025
  541   1HE2  GLN  66          HE21      GLN  66  -9.269   9.959   7.075
  542   2HE2  GLN  66          HE22      GLN  66  -7.630  10.067   7.633
  543    H    HIS  67           HN       HIS  67 -11.978   7.377   2.609
  544    HA   HIS  67           HA       HIS  67 -13.646   9.769   2.723
  545   1HB   HIS  67          HB3       HIS  67 -14.327   6.866   2.319
  546   2HB   HIS  67          HB2       HIS  67 -15.530   8.132   2.540
  547    HD1  HIS  67           HD1      HIS  67 -14.597  10.319   0.726
  548    HD2  HIS  67           HD2      HIS  67 -14.224   6.315  -0.281
  549    HE1  HIS  67           HE1      HIS  67 -14.490  10.256  -1.773
  550    HE2  HIS  67           HE2      HIS  67 -14.418   7.826  -2.365
  551    H    THR  68           HN       THR  68 -13.837  10.578   4.640
  552    HA   THR  68           HA       THR  68 -13.463   9.095   7.022
  553    HB   THR  68           HB       THR  68 -14.458  11.911   6.676
  554    HG1  THR  68           HG1      THR  68 -11.804  10.916   6.869
  555   1HG2  THR  68          HG21      THR  68 -13.474  12.373   8.798
  556   2HG2  THR  68          HG22      THR  68 -12.879  10.721   8.938
  557   3HG2  THR  68          HG23      THR  68 -14.618  11.045   8.986
  558    H    THR  69           HN       THR  69 -15.243   7.516   6.672
  559    HA   THR  69           HA       THR  69 -17.897   8.548   7.351
  560    HB   THR  69           HB       THR  69 -17.286   5.623   6.932
  561    HG1  THR  69           HG1      THR  69 -17.054   5.852   4.818
  562   1HG2  THR  69          HG21      THR  69 -19.497   5.422   6.252
  563   2HG2  THR  69          HG22      THR  69 -19.597   7.105   5.756
  564   3HG2  THR  69          HG23      THR  69 -19.635   6.697   7.466
  565    H    ASP  70           HN       ASP  70 -18.060   5.642   8.857
  566    HA   ASP  70           HA       ASP  70 -17.260   6.729  11.409
  567   1HB   ASP  70          HB2       ASP  70 -19.150   5.142  11.260
  568   2HB   ASP  70          HB3       ASP  70 -18.075   3.930  10.564
  569    H    GLU  71           HN       GLU  71 -16.107   4.606   8.948
  570    HA   GLU  71           HA       GLU  71 -13.482   4.386  10.251
  571   1HB   GLU  71          HB3       GLU  71 -14.801   2.473   8.310
  572   2HB   GLU  71          HB2       GLU  71 -13.172   2.308   8.951
  573   1HG   GLU  71          HG3       GLU  71 -13.992   1.850  11.126
  574   2HG   GLU  71          HG2       GLU  71 -15.618   2.380  10.697
  575    H    ASP  72           HN       ASP  72 -12.025   5.663   9.173
  576    HA   ASP  72           HA       ASP  72 -12.650   6.838   6.677
  577   1HB   ASP  72          HB3       ASP  72 -10.023   6.645   8.139
  578   2HB   ASP  72          HB2       ASP  72 -10.206   7.505   6.613
  579    H    THR  73           HN       THR  73 -12.728   5.942   4.823
  580    HA   THR  73           HA       THR  73 -11.367   3.421   4.298
  581    HB   THR  73           HB       THR  73 -13.267   5.021   2.535
  582    HG1  THR  73           HG1      THR  73 -13.821   3.877   4.774
  583   1HG2  THR  73          HG21      THR  73 -12.029   3.433   1.257
  584   2HG2  THR  73          HG22      THR  73 -13.692   2.856   1.436
  585   3HG2  THR  73          HG23      THR  73 -12.390   2.150   2.410
  586    H    ILE  74           HN       ILE  74  -9.317   3.545   3.567
  587    HA   ILE  74           HA       ILE  74  -8.340   5.957   2.314
  588    HB   ILE  74           HB       ILE  74  -7.081   3.376   3.145
  589   1HG1  ILE  74          HG12      ILE  74  -5.561   4.966   4.326
  590   2HG1  ILE  74          HG13      ILE  74  -6.525   6.293   3.699
  591   1HG2  ILE  74          HG21      ILE  74  -4.934   4.288   2.199
  592   2HG2  ILE  74          HG22      ILE  74  -6.074   3.644   1.022
  593   3HG2  ILE  74          HG23      ILE  74  -5.914   5.396   1.238
  594   1HD1  ILE  74          HD11      ILE  74  -7.979   6.126   5.335
  595   2HD1  ILE  74          HD12      ILE  74  -8.187   4.387   5.071
  596   3HD1  ILE  74          HD13      ILE  74  -6.870   4.979   6.085
  597    H    VAL  75           HN       VAL  75  -8.613   6.347   0.194
  598    HA   VAL  75           HA       VAL  75  -8.884   4.018  -1.575
  599    HB   VAL  75           HB       VAL  75 -10.371   5.362  -2.968
  600   1HG1  VAL  75          HG11      VAL  75 -11.604   4.159  -1.409
  601   2HG1  VAL  75          HG12      VAL  75 -10.978   5.097  -0.054
  602   3HG1  VAL  75          HG13      VAL  75 -12.180   5.806  -1.128
  603   1HG2  VAL  75          HG21      VAL  75  -9.400   7.535  -1.283
  604   2HG2  VAL  75          HG22      VAL  75 -10.008   7.581  -2.935
  605   3HG2  VAL  75          HG23      VAL  75 -11.132   7.559  -1.572
  606    H    LEU  76           HN       LEU  76  -7.696   3.886  -3.403
  607    HA   LEU  76           HA       LEU  76  -5.703   6.013  -3.799
  608   1HB   LEU  76          HB2       LEU  76  -5.650   3.097  -4.613
  609   2HB   LEU  76          HB3       LEU  76  -4.477   4.287  -5.151
  610    HG   LEU  76           HG       LEU  76  -3.990   4.703  -2.677
  611   1HD1  LEU  76          HD11      LEU  76  -4.507   2.159  -1.708
  612   2HD1  LEU  76          HD12      LEU  76  -5.228   3.678  -1.203
  613   3HD1  LEU  76          HD13      LEU  76  -6.023   2.698  -2.429
  614   1HD2  LEU  76          HD21      LEU  76  -2.684   3.314  -4.450
  615   2HD2  LEU  76          HD22      LEU  76  -2.243   3.221  -2.739
  616   3HD2  LEU  76          HD23      LEU  76  -3.212   1.941  -3.469
  617    H    GLN  77           HN       GLN  77  -6.288   7.434  -5.224
  618    HA   GLN  77           HA       GLN  77  -7.776   6.566  -7.616
  619   1HB   GLN  77          HB2       GLN  77  -7.549   9.250  -6.278
  620   2HB   GLN  77          HB3       GLN  77  -8.458   8.932  -7.748
  621   1HG   GLN  77          HG2       GLN  77  -9.982   7.493  -6.587
  622   2HG   GLN  77          HG3       GLN  77  -8.990   7.547  -5.138
  623   1HE2  GLN  77          HE21      GLN  77 -11.693   8.691  -6.548
  624   2HE2  GLN  77          HE22      GLN  77 -11.960  10.058  -5.519
  625    HA   PRO  78           HA       PRO  78  -3.807   7.413  -9.606
  626   1HB   PRO  78          HB3       PRO  78  -4.480   6.319 -11.984
  627   2HB   PRO  78          HB2       PRO  78  -4.031   5.339 -10.579
  628   1HG   PRO  78          HG2       PRO  78  -6.766   5.959 -11.629
  629   2HG   PRO  78          HG3       PRO  78  -6.118   4.423 -11.017
  630   1HD   PRO  78          HD2       PRO  78  -7.688   6.028  -9.493
  631   2HD   PRO  78          HD3       PRO  78  -6.406   4.981  -8.831
  632    H    GLN  79           HN       GLN  79  -3.294   9.308 -10.492
  633    HA   GLN  79           HA       GLN  79  -5.352  10.814 -11.968
  634   1HB   GLN  79          HB3       GLN  79  -3.775  12.745 -11.682
  635   2HB   GLN  79          HB2       GLN  79  -4.352  12.076 -10.163
  636   1HG   GLN  79          HG2       GLN  79  -2.233  10.827  -9.958
  637   2HG   GLN  79          HG3       GLN  79  -1.689  11.564 -11.458
  638   1HE2  GLN  79          HE21      GLN  79  -3.276  14.014 -10.318
  639   2HE2  GLN  79          HE22      GLN  79  -2.009  14.828  -9.472
  640    H    GLU  80           HN       GLU  80  -3.153   8.625 -12.567
  641    HA   GLU  80           HA       GLU  80  -2.525   9.639 -15.253
  642   1HB   GLU  80          HB2       GLU  80  -0.489   9.804 -13.887
  643   2HB   GLU  80          HB3       GLU  80  -0.676   8.129 -13.394
  644   1HG   GLU  80          HG3       GLU  80   1.016   8.231 -15.062
  645   2HG   GLU  80          HG2       GLU  80  -0.396   7.450 -15.771
  646    HA   PRO  81           HA       PRO  81  -4.644   5.817 -16.118
  647   1HB   PRO  81          HB2       PRO  81  -3.961   5.648 -18.770
  648   2HB   PRO  81          HB3       PRO  81  -5.299   6.618 -18.144
  649   1HG   PRO  81          HG3       PRO  81  -2.574   7.467 -18.981
  650   2HG   PRO  81          HG2       PRO  81  -4.123   8.310 -19.157
  651   1HD   PRO  81          HD3       PRO  81  -2.261   8.923 -17.236
  652   2HD   PRO  81          HD2       PRO  81  -3.993   9.212 -17.016
  653    H    GLY  82           HN       GLY  82  -4.018   3.816 -15.786
  654   1HA   GLY  82          HA1       GLY  82  -2.478   2.046 -16.747
  655   2HA   GLY  82          HA2       GLY  82  -1.200   3.146 -16.241
  656    H    LEU  83           HN       LEU  83  -2.774   3.990 -13.921
  657    HA   LEU  83           HA       LEU  83  -1.989   1.806 -12.159
  658   1HB   LEU  83          HB3       LEU  83  -2.685   4.691 -11.707
  659   2HB   LEU  83          HB2       LEU  83  -2.545   3.566 -10.372
  660    HG   LEU  83           HG       LEU  83  -0.329   4.333 -12.296
  661   1HD1  LEU  83          HD21      LEU  83  -1.335   5.769 -10.130
  662   2HD1  LEU  83          HD22      LEU  83   0.067   4.910  -9.474
  663   3HD1  LEU  83          HD23      LEU  83   0.256   5.959 -10.878
  664   1HD2  LEU  83          HD11      LEU  83   1.059   2.839 -11.254
  665   2HD2  LEU  83          HD12      LEU  83   0.123   2.849  -9.760
  666   3HD2  LEU  83          HD13      LEU  83  -0.456   1.938 -11.146
  667    HA   PRO  84           HA       PRO  84  -6.271   0.687 -11.712
  668   1HB   PRO  84          HB2       PRO  84  -6.032  -1.019  -9.627
  669   2HB   PRO  84          HB3       PRO  84  -5.486  -1.437 -11.251
  670   1HG   PRO  84          HG2       PRO  84  -3.857  -0.537  -8.906
  671   2HG   PRO  84          HG3       PRO  84  -3.492  -1.773 -10.132
  672   1HD   PRO  84          HD2       PRO  84  -2.486   0.787 -10.154
  673   2HD   PRO  84          HD3       PRO  84  -2.672  -0.224 -11.592
  674    H    SER  85           HN       SER  85  -7.993   1.021 -10.275
  675    HA   SER  85           HA       SER  85  -7.333   2.725  -7.980
  676   1HB   SER  85          HB3       SER  85  -8.453   3.950  -9.870
  677   2HB   SER  85          HB2       SER  85  -9.874   2.952  -9.568
  678    HG   SER  85           HG       SER  85  -8.637   4.462  -7.527
  679    H    PHE  86           HN       PHE  86  -7.883   1.953  -6.176
  680    HA   PHE  86           HA       PHE  86 -10.281   0.337  -5.831
  681   1HB   PHE  86          HB2       PHE  86  -9.178  -1.532  -4.827
  682   2HB   PHE  86          HB3       PHE  86  -8.373  -1.235  -6.364
  683    HD1  PHE  86           HD1      PHE  86  -6.252   0.356  -6.204
  684    HD2  PHE  86           HD2      PHE  86  -7.901  -1.879  -2.991
  685    HE1  PHE  86           HE1      PHE  86  -4.081   0.470  -5.036
  686    HE2  PHE  86           HE2      PHE  86  -5.753  -1.788  -1.825
  687    HZ   PHE  86           HZ       PHE  86  -3.831  -0.612  -2.837
  688    H    ARG  87           HN       ARG  87 -10.676  -0.132  -3.531
  689    HA   ARG  87           HA       ARG  87  -9.614   2.007  -1.820
  690   1HB   ARG  87          HB3       ARG  87 -12.383   0.851  -1.578
  691   2HB   ARG  87          HB2       ARG  87 -11.721   2.210  -0.707
  692   1HG   ARG  87          HG3       ARG  87 -13.126   3.179  -2.276
  693   2HG   ARG  87          HG2       ARG  87 -11.517   3.343  -2.978
  694   1HD   ARG  87          HD3       ARG  87 -13.167   2.639  -4.643
  695   2HD   ARG  87          HD2       ARG  87 -11.918   1.417  -4.391
  696    HE   ARG  87           HE       ARG  87 -13.842   0.584  -2.733
  697   1HH1  ARG  87          HH11      ARG  87 -13.951   1.314  -6.288
  698   2HH1  ARG  87          HH12      ARG  87 -15.667   1.445  -5.982
  699   1HH2  ARG  87          HH21      ARG  87 -16.026  -0.392  -3.387
  700   2HH2  ARG  87          HH22      ARG  87 -15.759  -1.197  -4.903
  701    H    ILE  88           HN       ILE  88  -9.035   1.426   0.264
  702    HA   ILE  88           HA       ILE  88  -9.256  -1.451   0.774
  703    HB   ILE  88           HB       ILE  88  -7.334  -1.081   2.393
  704   1HG1  ILE  88          HG12      ILE  88  -7.046   1.386   0.677
  705   2HG1  ILE  88          HG13      ILE  88  -7.269   1.305   2.421
  706   1HG2  ILE  88          HG21      ILE  88  -5.685  -1.516   0.654
  707   2HG2  ILE  88          HG22      ILE  88  -7.191  -2.359   0.282
  708   3HG2  ILE  88          HG23      ILE  88  -6.775  -0.872  -0.573
  709   1HD1  ILE  88          HD11      ILE  88  -4.916   1.779   1.604
  710   2HD1  ILE  88          HD12      ILE  88  -5.107   0.486   2.794
  711   3HD1  ILE  88          HD13      ILE  88  -4.860   0.087   1.085
  712    H    LYS  89           HN       LYS  89 -10.197  -2.155   2.571
  713    HA   LYS  89           HA       LYS  89 -10.985  -0.168   4.609
  714   1HB   LYS  89          HB2       LYS  89 -12.546  -2.359   3.248
  715   2HB   LYS  89          HB3       LYS  89 -13.022  -1.759   4.829
  716   1HG   LYS  89          HG3       LYS  89 -12.633   0.256   2.708
  717   2HG   LYS  89          HG2       LYS  89 -14.014  -0.828   2.540
  718   1HD   LYS  89          HD2       LYS  89 -13.382   0.825   5.015
  719   2HD   LYS  89          HD3       LYS  89 -14.553   1.268   3.772
  720   1HE   LYS  89          HE3       LYS  89 -15.901  -0.661   4.235
  721   2HE   LYS  89          HE2       LYS  89 -14.715  -1.261   5.387
  722   1HZ   LYS  89          HZ1       LYS  89 -15.354   0.252   6.955
  723   2HZ   LYS  89          HZ2       LYS  89 -16.828   0.004   6.151
  724   3HZ   LYS  89          HZ3       LYS  89 -15.905   1.381   5.807
  725    HA   PRO  90           HA       PRO  90  -8.953  -3.312   7.080
  726   1HB   PRO  90          HB3       PRO  90  -9.818  -1.798   9.419
  727   2HB   PRO  90          HB2       PRO  90  -8.176  -1.993   8.778
  728   1HG   PRO  90          HG2       PRO  90  -9.504   0.374   8.718
  729   2HG   PRO  90          HG3       PRO  90  -8.311  -0.101   7.489
  730   1HD   PRO  90          HD3       PRO  90 -11.308  -0.192   7.351
  731   2HD   PRO  90          HD2       PRO  90 -10.123   0.334   6.130
  732    H    LYS  91           HN       LYS  91 -11.155  -4.308   6.164
  733    HA   LYS  91           HA       LYS  91 -13.241  -4.649   8.146
  734   1HB   LYS  91          HB2       LYS  91 -12.918  -5.938   5.421
  735   2HB   LYS  91          HB3       LYS  91 -14.282  -6.181   6.509
  736   1HG   LYS  91          HG2       LYS  91 -14.564  -3.635   6.447
  737   2HG   LYS  91          HG3       LYS  91 -13.486  -3.671   5.048
  738   1HD   LYS  91          HD2       LYS  91 -15.771  -3.689   4.321
  739   2HD   LYS  91          HD3       LYS  91 -15.043  -5.257   3.960
  740   1HE   LYS  91          HE2       LYS  91 -17.328  -5.479   4.896
  741   2HE   LYS  91          HE3       LYS  91 -16.118  -6.232   5.931
  742   1HZ   LYS  91          HZ1       LYS  91 -17.160  -3.522   6.378
  743   2HZ   LYS  91          HZ2       LYS  91 -16.208  -4.463   7.429
  744   3HZ   LYS  91          HZ3       LYS  91 -17.807  -4.914   7.083
  745    H    ASP  92           HN       ASP  92 -11.515  -5.425   9.568
  746    HA   ASP  92           HA       ASP  92 -11.818  -8.230   9.965
  747   1HB   ASP  92          HB3       ASP  92  -9.824  -7.804   8.290
  748   2HB   ASP  92          HB2       ASP  92  -8.969  -7.303   9.742
  749    H    PHE  93           HN       PHE  93 -10.503  -8.736  12.106
  750    HA   PHE  93           HA       PHE  93 -10.630  -6.297  13.749
  751   1HB   PHE  93          HB2       PHE  93 -11.411  -9.124  14.375
  752   2HB   PHE  93          HB3       PHE  93 -11.120  -7.947  15.651
  753    HD1  PHE  93           HD1      PHE  93 -13.665  -9.029  15.810
  754    HD2  PHE  93           HD2      PHE  93 -12.310  -6.065  13.082
  755    HE1  PHE  93           HE1      PHE  93 -15.974  -8.242  15.558
  756    HE2  PHE  93           HE2      PHE  93 -14.620  -5.262  12.843
  757    HZ   PHE  93           HZ       PHE  93 -16.446  -6.335  14.084
  758    H    GLU  94           HN       GLU  94  -9.165  -9.534  13.857
  759    HA   GLU  94           HA       GLU  94  -7.202  -9.291  15.674
  760   1HB   GLU  94          HB2       GLU  94  -6.876 -10.488  12.924
  761   2HB   GLU  94          HB3       GLU  94  -5.912 -10.893  14.336
  762   1HG   GLU  94          HG2       GLU  94  -7.512 -12.171  15.251
  763   2HG   GLU  94          HG3       GLU  94  -8.832 -11.207  14.597
  764    H    THR  95           HN       THR  95  -6.281  -7.304  15.943
  765    HA   THR  95           HA       THR  95  -4.672  -5.746  15.795
  766    HB   THR  95           HB       THR  95  -3.684  -7.107  13.302
  767    HG1  THR  95           HG1      THR  95  -3.005  -8.645  14.514
  768   1HG2  THR  95          HG21      THR  95  -2.468  -5.171  15.233
  769   2HG2  THR  95          HG22      THR  95  -2.510  -5.115  13.463
  770   3HG2  THR  95          HG23      THR  95  -1.483  -6.292  14.290
  771    H    SER  96           HN       SER  96  -6.398  -6.542  12.995
  772    HA   SER  96           HA       SER  96  -6.142  -4.444  11.277
  773   1HB   SER  96          HB3       SER  96  -8.349  -6.319  11.954
  774   2HB   SER  96          HB2       SER  96  -8.721  -4.938  10.905
  775    HG   SER  96           HG       SER  96  -7.945  -6.208   9.413
  776    H    GLU  97           HN       GLU  97  -8.060  -4.548  14.231
  777    HA   GLU  97           HA       GLU  97  -9.427  -2.093  13.845
  778   1HB   GLU  97          HB2       GLU  97  -8.592  -3.458  16.395
  779   2HB   GLU  97          HB3       GLU  97  -9.800  -2.183  16.272
  780   1HG   GLU  97          HG3       GLU  97 -11.167  -3.669  14.830
  781   2HG   GLU  97          HG2       GLU  97  -9.950  -4.932  15.038
  782    H    TYR  98           HN       TYR  98  -6.433  -2.953  15.520
  783    HA   TYR  98           HA       TYR  98  -5.765  -0.378  16.413
  784   1HB   TYR  98          HB2       TYR  98  -3.875  -2.645  15.736
  785   2HB   TYR  98          HB3       TYR  98  -3.532  -1.266  16.779
  786    HD1  TYR  98           HD1      TYR  98  -5.247  -1.000  18.809
  787    HD2  TYR  98           HD2      TYR  98  -4.430  -4.639  16.721
  788    HE1  TYR  98           HE1      TYR  98  -6.101  -2.296  20.746
  789    HE2  TYR  98           HE2      TYR  98  -5.149  -5.926  18.699
  790    HH   TYR  98           HH       TYR  98  -5.997  -5.868  20.721
  791    H    VAL  99           HN       VAL  99  -4.603  -2.174  13.517
  792    HA   VAL  99           HA       VAL  99  -3.007  -0.040  12.557
  793    HB   VAL  99           HB       VAL  99  -2.730  -1.264  10.527
  794   1HG1  VAL  99          HG11      VAL  99  -1.983  -3.445  11.467
  795   2HG1  VAL  99          HG12      VAL  99  -1.425  -2.026  12.355
  796   3HG1  VAL  99          HG13      VAL  99  -2.755  -2.994  12.994
  797   1HG2  VAL  99          HG21      VAL  99  -4.277  -3.601  11.129
  798   2HG2  VAL  99          HG22      VAL  99  -5.317  -2.193  10.984
  799   3HG2  VAL  99          HG23      VAL  99  -4.252  -2.636   9.653
  800    H    ARG 100           HN       ARG 100  -6.374  -0.725  12.218
  801    HA   ARG 100           HA       ARG 100  -7.031   0.559   9.847
  802   1HB   ARG 100          HB3       ARG 100  -8.637  -0.667  11.293
  803   2HB   ARG 100          HB2       ARG 100  -8.517   0.635  12.470
  804   1HG   ARG 100          HG2       ARG 100  -9.514   2.196  10.977
  805   2HG   ARG 100          HG3       ARG 100  -9.529   1.021   9.662
  806   1HD   ARG 100          HD2       ARG 100 -11.749   1.213  10.750
  807   2HD   ARG 100          HD3       ARG 100 -11.064  -0.398  10.931
  808    HE   ARG 100           HE       ARG 100 -10.384   1.145  13.193
  809   1HH1  ARG 100          HH12      ARG 100 -13.785  -0.124  12.129
  810   2HH1  ARG 100          HH11      ARG 100 -13.134  -1.410  13.104
  811   1HH2  ARG 100          HH21      ARG 100 -12.387   1.489  15.042
  812   2HH2  ARG 100          HH22      ARG 100 -12.297  -0.237  15.285
  813    H    LYS 101           HN       LYS 101  -6.955   2.013  13.111
  814    HA   LYS 101           HA       LYS 101  -7.259   4.688  12.161
  815   1HB   LYS 101          HB3       LYS 101  -7.994   3.841  14.375
  816   2HB   LYS 101          HB2       LYS 101  -6.309   3.726  14.844
  817   1HG   LYS 101          HG2       LYS 101  -6.073   6.127  14.558
  818   2HG   LYS 101          HG3       LYS 101  -7.784   6.245  14.137
  819   1HD   LYS 101          HD3       LYS 101  -7.518   6.790  16.484
  820   2HD   LYS 101          HD2       LYS 101  -8.330   5.230  16.353
  821   1HE   LYS 101          HE2       LYS 101  -6.013   4.203  16.575
  822   2HE   LYS 101          HE3       LYS 101  -5.467   5.803  17.063
  823   1HZ   LYS 101          HZ1       LYS 101  -7.419   4.041  18.433
  824   2HZ   LYS 101          HZ2       LYS 101  -7.304   5.692  18.777
  825   3HZ   LYS 101          HZ3       LYS 101  -5.972   4.686  19.054
  826    H    ALA 102           HN       ALA 102  -4.571   2.591  12.561
  827    HA   ALA 102           HA       ALA 102  -2.686   4.785  12.768
  828   1HB   ALA 102          HB1       ALA 102  -1.691   3.275  14.025
  829   2HB   ALA 102          HB2       ALA 102  -2.610   1.938  13.341
  830   3HB   ALA 102          HB3       ALA 102  -1.148   2.524  12.527
  831    H    TRP 103           HN       TRP 103  -4.240   3.552  10.151
  832    HA   TRP 103           HA       TRP 103  -1.817   3.556   8.484
  833   1HB   TRP 103          HB3       TRP 103  -4.492   2.361   8.180
  834   2HB   TRP 103          HB2       TRP 103  -3.837   3.076   6.706
  835    HD1  TRP 103           HD1      TRP 103  -3.019   0.366   9.304
  836    HE1  TRP 103           HE1      TRP 103  -1.350  -1.270   8.303
  837    HE3  TRP 103           HE3      TRP 103  -2.097   2.774   4.941
  838    HZ2  TRP 103           HZ2      TRP 103   0.210  -1.509   5.931
  839    HZ3  TRP 103           HZ3      TRP 103  -0.483   1.784   3.353
  840    HH2  TRP 103           HH2      TRP 103   0.634  -0.301   3.847
  841    H    LEU 104           HN       LEU 104  -4.826   5.357   8.922
  842    HA   LEU 104           HA       LEU 104  -4.517   6.982   6.644
  843   1HB   LEU 104          HB3       LEU 104  -5.858   8.650   8.203
  844   2HB   LEU 104          HB2       LEU 104  -6.610   7.294   7.392
  845    HG   LEU 104           HG       LEU 104  -5.866   6.155   9.752
  846   1HD1  LEU 104          HD21      LEU 104  -5.170   8.353  10.674
  847   2HD1  LEU 104          HD22      LEU 104  -6.767   9.007  10.307
  848   3HD1  LEU 104          HD23      LEU 104  -6.595   7.742  11.524
  849   1HD2  LEU 104          HD11      LEU 104  -8.440   7.596   9.126
  850   2HD2  LEU 104          HD12      LEU 104  -7.993   5.994   8.523
  851   3HD2  LEU 104          HD13      LEU 104  -8.228   6.249  10.252
  852    H    ARG 105           HN       ARG 105  -2.935   7.057   9.729
  853    HA   ARG 105           HA       ARG 105  -2.077   9.767   9.657
  854   1HB   ARG 105          HB2       ARG 105  -0.985   7.325  11.055
  855   2HB   ARG 105          HB3       ARG 105  -0.283   8.926  11.248
  856   1HG   ARG 105          HG3       ARG 105  -2.514   9.718  12.037
  857   2HG   ARG 105          HG2       ARG 105  -3.024   8.029  12.077
  858   1HD   ARG 105          HD2       ARG 105  -1.253   7.462  13.629
  859   2HD   ARG 105          HD3       ARG 105  -0.656   9.117  13.578
  860    HE   ARG 105           HE       ARG 105  -2.235   9.656  15.128
  861   1HH1  ARG 105          HH12      ARG 105  -3.270   6.152  15.187
  862   2HH1  ARG 105          HH11      ARG 105  -4.122   6.625  13.736
  863   1HH2  ARG 105          HH22      ARG 105  -3.916   8.648  16.849
  864   2HH2  ARG 105          HH21      ARG 105  -5.191   8.970  15.704
  865    H    ASP 106           HN       ASP 106  -0.611   6.710   8.576
  866    HA   ASP 106           HA       ASP 106   1.712   7.963   7.470
  867   1HB   ASP 106          HB2       ASP 106   0.556   5.196   7.158
  868   2HB   ASP 106          HB3       ASP 106   1.990   5.723   6.275
  869    H    ILE 107           HN       ILE 107  -1.480   7.456   6.420
  870    HA   ILE 107           HA       ILE 107  -0.994   7.638   3.611
  871    HB   ILE 107           HB       ILE 107  -3.342   7.568   5.353
  872   1HG1  ILE 107          HG13      ILE 107  -4.231   6.217   3.547
  873   2HG1  ILE 107          HG12      ILE 107  -2.952   6.761   2.464
  874   1HG2  ILE 107          HG21      ILE 107  -4.852   8.859   4.231
  875   2HG2  ILE 107          HG22      ILE 107  -3.412   9.876   4.068
  876   3HG2  ILE 107          HG23      ILE 107  -3.925   8.843   2.730
  877   1HD1  ILE 107          HD11      ILE 107  -1.367   5.705   4.218
  878   2HD1  ILE 107          HD12      ILE 107  -2.814   4.867   4.759
  879   3HD1  ILE 107          HD13      ILE 107  -2.241   4.642   3.111
  880    H    ALA 108           HN       ALA 108  -1.471   9.877   6.240
  881    HA   ALA 108           HA       ALA 108  -1.635  12.250   4.656
  882   1HB   ALA 108          HB1       ALA 108  -0.718  13.026   7.145
  883   2HB   ALA 108          HB2       ALA 108  -2.407  12.896   6.660
  884   3HB   ALA 108          HB3       ALA 108  -1.622  11.551   7.481
  885    H    GLU 109           HN       GLU 109   0.862  10.469   6.345
  886    HA   GLU 109           HA       GLU 109   3.008  12.287   5.947
  887   1HB   GLU 109          HB3       GLU 109   2.902   9.348   6.631
  888   2HB   GLU 109          HB2       GLU 109   4.385  10.287   6.600
  889   1HG   GLU 109          HG2       GLU 109   2.096  11.152   8.315
  890   2HG   GLU 109          HG3       GLU 109   3.161   9.848   8.835
  891    H    GLU 110           HN       GLU 110   1.379  10.614   3.638
  892    HA   GLU 110           HA       GLU 110   3.380   9.237   2.276
  893   1HB   GLU 110          HB2       GLU 110   1.925   9.203   0.354
  894   2HB   GLU 110          HB3       GLU 110   0.965   8.947   1.802
  895   1HG   GLU 110          HG2       GLU 110  -0.385  10.573   1.131
  896   2HG   GLU 110          HG3       GLU 110   0.946  11.722   1.304
  897    H    GLN 111           HN       GLN 111   5.126   9.870   1.515
  898    HA   GLN 111           HA       GLN 111   6.805  11.040   0.654
  899   1HB   GLN 111          HB2       GLN 111   5.090  10.972  -1.294
  900   2HB   GLN 111          HB3       GLN 111   4.918  12.696  -0.982
  901   1HG   GLN 111          HG3       GLN 111   7.217  13.073  -1.365
  902   2HG   GLN 111          HG2       GLN 111   7.540  11.344  -1.455
  903   1HE2  GLN 111          HE21      GLN 111   7.921  10.645  -3.403
  904   2HE2  GLN 111          HE22      GLN 111   7.135  11.191  -4.853
  905    H    GLU 112           HN       GLU 112   5.138  12.278   2.969
  906    HA   GLU 112           HA       GLU 112   5.561  15.096   2.743
  907   1HB   GLU 112          HB2       GLU 112   5.125  13.236   5.076
  908   2HB   GLU 112          HB3       GLU 112   5.577  14.905   5.373
  909   1HG   GLU 112          HG3       GLU 112   3.138  14.012   3.825
  910   2HG   GLU 112          HG2       GLU 112   3.154  14.533   5.509
  911    H    LYS 113           HN       LYS 113   7.335  12.419   4.123
  912    HA   LYS 113           HA       LYS 113   9.677  13.971   4.805
  913   1HB   LYS 113          HB3       LYS 113   9.530  10.965   4.532
  914   2HB   LYS 113          HB2       LYS 113  10.607  11.894   5.576
  915   1HG   LYS 113          HG3       LYS 113   7.668  11.416   5.890
  916   2HG   LYS 113          HG2       LYS 113   8.972  10.909   6.962
  917   1HD   LYS 113          HD3       LYS 113   9.395  13.200   7.614
  918   2HD   LYS 113          HD2       LYS 113   8.213  13.756   6.409
  919   1HE   LYS 113          HE2       LYS 113   7.256  13.766   8.691
  920   2HE   LYS 113          HE3       LYS 113   6.386  12.659   7.626
  921   1HZ   LYS 113          HZ1       LYS 113   6.679  11.410   9.506
  922   2HZ   LYS 113          HZ2       LYS 113   8.182  12.093   9.914
  923   3HZ   LYS 113          HZ3       LYS 113   8.074  10.954   8.656
  924    H    TYR 114           HN       TYR 114   9.596  14.809   2.454
  925    HA   TYR 114           HA       TYR 114  10.477  13.091   0.343
  926   1HB   TYR 114          HB3       TYR 114   9.178  15.277   0.146
  927   2HB   TYR 114          HB2       TYR 114  10.722  16.099   0.357
  928    HD1  TYR 114           HD1      TYR 114   9.421  13.210  -1.636
  929    HD2  TYR 114           HD2      TYR 114  11.687  16.820  -1.629
  930    HE1  TYR 114           HE1      TYR 114   9.834  12.958  -4.054
  931    HE2  TYR 114           HE2      TYR 114  12.134  16.538  -4.047
  932    HH   TYR 114           HH       TYR 114  10.408  14.808  -6.028
  933    H    ALA 115           HN       ALA 115  12.182  12.568   2.334
  934    HA   ALA 115           HA       ALA 115  14.614  14.096   2.100
  935   1HB   ALA 115          HB1       ALA 115  14.437  11.351   3.261
  936   2HB   ALA 115          HB2       ALA 115  15.463  12.707   3.746
  937   3HB   ALA 115          HB3       ALA 115  13.734  12.739   4.108
  938    H    ALA 116           HN       ALA 116  15.936  13.909   0.375
  939    HA   ALA 116           HA       ALA 116  16.310  11.258  -0.836
  940   1HB   ALA 116          HB1       ALA 116  16.516  12.592  -3.038
  941   2HB   ALA 116          HB2       ALA 116  14.915  12.237  -2.400
  942   3HB   ALA 116          HB3       ALA 116  15.612  13.842  -2.182
  943    H    GLU 117           HN       GLU 117  17.989  12.198   1.064
  944    HA   GLU 117           HA       GLU 117  20.187  13.685   0.074
  945   1HB   GLU 117          HB3       GLU 117  20.338  11.555   2.203
  946   2HB   GLU 117          HB2       GLU 117  21.399  12.940   1.986
  947   1HG   GLU 117          HG2       GLU 117  20.129  13.829   3.626
  948   2HG   GLU 117          HG3       GLU 117  19.031  14.201   2.292
  949    H    ARG 118           HN       ARG 118  19.761  10.181   0.513
  950    HA   ARG 118           HA       ARG 118  21.301   9.629  -1.867
  951   1HB   ARG 118          HB2       ARG 118  22.243   8.834   0.882
  952   2HB   ARG 118          HB3       ARG 118  22.731   7.976  -0.570
  953   1HG   ARG 118          HG3       ARG 118  23.704  10.036  -1.481
  954   2HG   ARG 118          HG2       ARG 118  23.264  10.891  -0.001
  955   1HD   ARG 118          HD3       ARG 118  24.692   9.423   1.305
  956   2HD   ARG 118          HD2       ARG 118  25.138   8.541  -0.155
  957    HE   ARG 118           HE       ARG 118  26.608  10.180  -0.667
  958   1HH1  ARG 118          HH11      ARG 118  25.360  11.395   2.415
  959   2HH1  ARG 118          HH12      ARG 118  24.497  12.617   1.519
  960   1HH2  ARG 118          HH21      ARG 118  26.828  12.997  -0.742
  961   2HH2  ARG 118          HH22      ARG 118  27.650  12.732   0.769
  962    H    ASP 119           HN       ASP 119  21.564   7.066  -1.905
  963    HA   ASP 119           HA       ASP 119  19.262   5.725  -0.722
  964   1HB   ASP 119          HB3       ASP 119  18.426   6.740  -2.844
  965   2HB   ASP 119          HB2       ASP 119  19.630   5.807  -3.727
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1  23.867  -8.164   1.059
    2   2H    MET   1          HT2       MET   1  22.482  -9.172   1.099
    3   3H    MET   1          HT3       MET   1  22.844  -8.188   2.453
    4    HA   MET   1           HA       MET   1  21.036  -7.443   0.862
    5   1HB   MET   1          HB2       MET   1  21.666  -5.119   1.268
    6   2HB   MET   1          HB3       MET   1  22.000  -6.114   2.676
    7   1HG   MET   1          HG2       MET   1  24.355  -6.220   1.989
    8   2HG   MET   1          HG3       MET   1  23.988  -5.085   0.691
    9   1HE   MET   1          HE1       MET   1  26.179  -4.818   2.940
   10   2HE   MET   1          HE2       MET   1  26.005  -3.538   1.741
   11   3HE   MET   1          HE3       MET   1  26.056  -3.134   3.456
   12    H    GLY   2           HN       GLY   2  20.681  -6.158  -1.025
   13   1HA   GLY   2          HA1       GLY   2  22.582  -6.835  -3.134
   14   2HA   GLY   2          HA2       GLY   2  20.967  -6.182  -3.366
   15    H    ASP   3           HN       ASP   3  22.805  -5.069  -4.901
   16    HA   ASP   3           HA       ASP   3  24.302  -2.961  -3.783
   17   1HB   ASP   3          HB2       ASP   3  24.489  -2.087  -6.070
   18   2HB   ASP   3          HB3       ASP   3  24.784  -3.821  -6.031
   19    H    THR   4           HN       THR   4  20.996  -3.217  -4.798
   20    HA   THR   4           HA       THR   4  20.445  -0.558  -3.710
   21    HB   THR   4           HB       THR   4  18.633  -0.467  -5.608
   22    HG1  THR   4           HG1      THR   4  20.674  -1.994  -6.877
   23   1HG2  THR   4          HG21      THR   4  20.772   0.983  -5.238
   24   2HG2  THR   4          HG22      THR   4  19.891   1.045  -6.763
   25   3HG2  THR   4          HG23      THR   4  21.368   0.091  -6.632
   26    H    GLY   5           HN       GLY   5  20.208  -2.810  -2.294
   27   1HA   GLY   5          HA1       GLY   5  17.399  -2.807  -1.736
   28   2HA   GLY   5          HA2       GLY   5  17.955  -4.321  -2.427
   29    H    LYS   6           HN       LYS   6  17.849  -2.351   0.376
   30    HA   LYS   6           HA       LYS   6  19.708  -3.952   1.932
   31   1HB   LYS   6          HB2       LYS   6  17.705  -1.884   2.903
   32   2HB   LYS   6          HB3       LYS   6  19.083  -2.521   3.786
   33   1HG   LYS   6          HG2       LYS   6  20.623  -1.439   2.326
   34   2HG   LYS   6          HG3       LYS   6  19.327  -0.878   1.273
   35   1HD   LYS   6          HD2       LYS   6  18.415   0.428   3.217
   36   2HD   LYS   6          HD3       LYS   6  19.842  -0.059   4.142
   37   1HE   LYS   6          HE3       LYS   6  19.900   1.451   1.546
   38   2HE   LYS   6          HE2       LYS   6  20.029   2.191   3.140
   39   1HZ   LYS   6          HZ1       LYS   6  21.929   0.258   3.188
   40   2HZ   LYS   6          HZ2       LYS   6  22.186   1.908   2.894
   41   3HZ   LYS   6          HZ3       LYS   6  22.013   0.840   1.596
   42    H    LEU   7           HN       LEU   7  16.272  -3.097   2.204
   43    HA   LEU   7           HA       LEU   7  15.666  -5.892   2.941
   44   1HB   LEU   7          HB2       LEU   7  14.706  -3.361   4.263
   45   2HB   LEU   7          HB3       LEU   7  13.755  -4.828   4.353
   46    HG   LEU   7           HG       LEU   7  14.963  -4.669   6.380
   47   1HD1  LEU   7          HD21      LEU   7  16.881  -6.548   5.727
   48   2HD1  LEU   7          HD22      LEU   7  15.214  -6.850   6.212
   49   3HD1  LEU   7          HD23      LEU   7  15.624  -6.772   4.503
   50   1HD2  LEU   7          HD11      LEU   7  17.646  -4.658   5.182
   51   2HD2  LEU   7          HD12      LEU   7  16.751  -3.139   5.154
   52   3HD2  LEU   7          HD13      LEU   7  17.071  -3.951   6.687
   53    H    GLY   8           HN       GLY   8  13.888  -2.877   2.381
   54   1HA   GLY   8          HA1       GLY   8  12.906  -2.692   0.058
   55   2HA   GLY   8          HA2       GLY   8  12.247  -4.293   0.385
   56    H    ARG   9           HN       ARG   9  11.369  -4.184   2.865
   57    HA   ARG   9           HA       ARG   9   9.054  -2.488   2.726
   58   1HB   ARG   9          HB3       ARG   9   9.864  -4.108   5.135
   59   2HB   ARG   9          HB2       ARG   9   8.245  -3.698   4.568
   60   1HG   ARG   9          HG2       ARG   9  10.125  -5.497   3.051
   61   2HG   ARG   9          HG3       ARG   9   8.918  -6.085   4.185
   62   1HD   ARG   9          HD2       ARG   9   7.169  -5.513   2.833
   63   2HD   ARG   9          HD3       ARG   9   8.077  -4.250   2.010
   64    HE   ARG   9           HE       ARG   9   8.905  -5.810   0.536
   65   1HH1  ARG   9          HH12      ARG   9   7.286  -7.776   3.148
   66   2HH1  ARG   9          HH11      ARG   9   6.470  -8.535   1.818
   67   1HH2  ARG   9          HH22      ARG   9   8.185  -8.024  -0.638
   68   2HH2  ARG   9          HH21      ARG   9   9.369  -8.774   0.393
   69    H    ILE  10           HN       ILE  10   9.030  -0.447   3.474
   70    HA   ILE  10           HA       ILE  10  10.896   0.236   5.623
   71    HB   ILE  10           HB       ILE  10  11.908   0.923   3.581
   72   1HG1  ILE  10          HG12      ILE  10  10.733   3.369   4.920
   73   2HG1  ILE  10          HG13      ILE  10  12.057   2.417   5.588
   74   1HG2  ILE  10          HG21      ILE  10   9.521   2.650   2.961
   75   2HG2  ILE  10          HG22      ILE  10  10.936   2.343   1.952
   76   3HG2  ILE  10          HG23      ILE  10   9.777   1.048   2.255
   77   1HD1  ILE  10          HD11      ILE  10  12.177   4.555   3.748
   78   2HD1  ILE  10          HD12      ILE  10  13.495   3.607   4.439
   79   3HD1  ILE  10          HD13      ILE  10  12.728   3.093   2.932
   80    H    ILE  11           HN       ILE  11   8.016   1.426   3.807
   81    HA   ILE  11           HA       ILE  11   7.365   3.234   5.942
   82    HB   ILE  11           HB       ILE  11   5.714   2.488   3.524
   83   1HG1  ILE  11          HG13      ILE  11   7.500   4.856   4.117
   84   2HG1  ILE  11          HG12      ILE  11   7.714   3.634   2.865
   85   1HG2  ILE  11          HG21      ILE  11   5.116   5.011   4.854
   86   2HG2  ILE  11          HG22      ILE  11   4.033   3.745   4.288
   87   3HG2  ILE  11          HG23      ILE  11   4.797   3.595   5.867
   88   1HD1  ILE  11          HD11      ILE  11   6.833   5.867   2.101
   89   2HD1  ILE  11          HD12      ILE  11   5.908   4.444   1.607
   90   3HD1  ILE  11          HD13      ILE  11   5.331   5.447   2.935
   91    H    ARG  12           HN       ARG  12   5.059   1.011   4.431
   92    HA   ARG  12           HA       ARG  12   4.510  -0.245   7.028
   93   1HB   ARG  12          HB2       ARG  12   2.886   1.794   5.858
   94   2HB   ARG  12          HB3       ARG  12   2.002   0.278   5.771
   95   1HG   ARG  12          HG3       ARG  12   1.389   1.334   7.793
   96   2HG   ARG  12          HG2       ARG  12   2.426  -0.024   8.223
   97   1HD   ARG  12          HD2       ARG  12   4.315   1.491   8.475
   98   2HD   ARG  12          HD3       ARG  12   3.283   2.855   8.035
   99    HE   ARG  12           HE       ARG  12   2.175   1.420  10.218
  100   1HH1  ARG  12          HH12      ARG  12   3.814   4.390   9.520
  101   2HH1  ARG  12          HH11      ARG  12   4.919   4.262  10.864
  102   1HH2  ARG  12          HH22      ARG  12   3.137   1.941  12.565
  103   2HH2  ARG  12          HH21      ARG  12   2.620   3.600  12.445
  104    H    HIS  13           HN       HIS  13   2.836  -2.077   6.704
  105    HA   HIS  13           HA       HIS  13   2.413  -3.152   4.130
  106   1HB   HIS  13          HB2       HIS  13   3.830  -5.144   4.281
  107   2HB   HIS  13          HB3       HIS  13   4.794  -3.679   4.206
  108    HD1  HIS  13           HD1      HIS  13   5.677  -2.851   6.708
  109    HD2  HIS  13           HD2      HIS  13   4.500  -6.824   6.261
  110    HE1  HIS  13           HE1      HIS  13   6.713  -4.070   8.643
  111    HE2  HIS  13           HE2      HIS  13   6.164  -6.514   8.255
  112    H    ASP  14           HN       ASP  14   0.384  -3.773   4.604
  113    HA   ASP  14           HA       ASP  14   0.033  -5.660   6.832
  114   1HB   ASP  14          HB2       ASP  14  -1.444  -3.105   6.403
  115   2HB   ASP  14          HB3       ASP  14  -2.346  -4.497   7.003
  116    H    ALA  15           HN       ALA  15  -2.030  -6.859   6.722
  117    HA   ALA  15           HA       ALA  15  -2.488  -7.653   3.941
  118   1HB   ALA  15          HB1       ALA  15  -3.769  -9.539   5.257
  119   2HB   ALA  15          HB2       ALA  15  -2.016  -9.567   5.066
  120   3HB   ALA  15          HB3       ALA  15  -2.732  -8.990   6.573
  121    H    PHE  16           HN       PHE  16  -4.278  -7.150   2.922
  122    HA   PHE  16           HA       PHE  16  -6.673  -6.460   4.519
  123   1HB   PHE  16          HB2       PHE  16  -5.763  -5.089   1.965
  124   2HB   PHE  16          HB3       PHE  16  -7.224  -4.716   2.879
  125    HD1  PHE  16           HD1      PHE  16  -6.518  -4.412   5.565
  126    HD2  PHE  16           HD2      PHE  16  -4.188  -3.475   2.146
  127    HE1  PHE  16           HE1      PHE  16  -5.242  -2.772   6.886
  128    HE2  PHE  16           HE2      PHE  16  -2.921  -1.820   3.436
  129    HZ   PHE  16           HZ       PHE  16  -3.445  -1.465   5.822
  130    H    GLN  17           HN       GLN  17  -8.550  -6.302   2.804
  131    HA   GLN  17           HA       GLN  17  -8.498  -8.102   0.586
  132   1HB   GLN  17          HB3       GLN  17  -8.664  -9.763   2.423
  133   2HB   GLN  17          HB2       GLN  17 -10.091  -8.940   3.043
  134   1HG   GLN  17          HG2       GLN  17 -11.333  -9.508   1.061
  135   2HG   GLN  17          HG3       GLN  17  -9.886 -10.174   0.309
  136   1HE2  GLN  17          HE21      GLN  17  -9.935 -12.271   0.232
  137   2HE2  GLN  17          HE22      GLN  17 -10.430 -13.322   1.515
  138    H    VAL  18           HN       VAL  18  -8.935  -5.753   0.226
  139    HA   VAL  18           HA       VAL  18 -11.803  -5.210   0.452
  140    HB   VAL  18           HB       VAL  18 -10.780  -3.859   2.052
  141   1HG1  VAL  18          HG11      VAL  18  -8.571  -3.689   2.017
  142   2HG1  VAL  18          HG12      VAL  18  -8.506  -4.051   0.293
  143   3HG1  VAL  18          HG13      VAL  18  -8.742  -2.402   0.815
  144   1HG2  VAL  18          HG21      VAL  18 -10.495  -1.627   0.315
  145   2HG2  VAL  18          HG22      VAL  18 -11.840  -2.620  -0.249
  146   3HG2  VAL  18          HG23      VAL  18 -11.817  -2.028   1.416
  147    H    TRP  19           HN       TRP  19 -12.799  -4.398  -1.134
  148    HA   TRP  19           HA       TRP  19 -12.698  -4.856  -3.651
  149   1HB   TRP  19          HB2       TRP  19 -13.344  -2.068  -2.731
  150   2HB   TRP  19          HB3       TRP  19 -14.076  -2.941  -4.073
  151    HD1  TRP  19           HD1      TRP  19 -15.746  -5.012  -3.385
  152    HE1  TRP  19           HE1      TRP  19 -17.225  -5.344  -1.322
  153    HE3  TRP  19           HE3      TRP  19 -13.433  -1.744  -0.193
  154    HZ2  TRP  19           HZ2      TRP  19 -17.363  -4.379   1.332
  155    HZ3  TRP  19           HZ3      TRP  19 -14.268  -1.523   2.088
  156    HH2  TRP  19           HH2      TRP  19 -16.195  -2.824   2.850
  157    H    GLU  20           HN       GLU  20 -11.501  -4.620  -5.354
  158    HA   GLU  20           HA       GLU  20  -9.232  -2.838  -5.356
  159   1HB   GLU  20          HB2       GLU  20  -9.353  -5.290  -6.290
  160   2HB   GLU  20          HB3       GLU  20  -9.996  -4.501  -7.726
  161   1HG   GLU  20          HG3       GLU  20  -8.010  -3.172  -7.957
  162   2HG   GLU  20          HG2       GLU  20  -7.376  -3.804  -6.439
  163    H    GLY  21           HN       GLY  21 -12.033  -1.923  -5.582
  164   1HA   GLY  21          HA1       GLY  21 -12.330   0.368  -6.496
  165   2HA   GLY  21          HA2       GLY  21 -11.696  -0.253  -8.005
  166    H    ASP  22           HN       ASP  22 -13.007  -1.884  -9.136
  167    HA   ASP  22           HA       ASP  22 -15.745  -1.027  -9.145
  168   1HB   ASP  22          HB2       ASP  22 -14.386  -1.696 -11.203
  169   2HB   ASP  22          HB3       ASP  22 -14.612  -3.360 -10.682
  170    H    GLU  23           HN       GLU  23 -15.575  -1.838  -6.714
  171    HA   GLU  23           HA       GLU  23 -16.151  -3.215  -5.080
  172   1HB   GLU  23          HB3       GLU  23 -18.362  -4.129  -5.212
  173   2HB   GLU  23          HB2       GLU  23 -18.304  -2.574  -6.020
  174   1HG   GLU  23          HG2       GLU  23 -18.486  -3.521  -8.128
  175   2HG   GLU  23          HG3       GLU  23 -18.119  -5.138  -7.528
  176    HA   PRO  24           HA       PRO  24 -14.825  -7.452  -6.463
  177   1HB   PRO  24          HB3       PRO  24 -12.396  -7.274  -7.603
  178   2HB   PRO  24          HB2       PRO  24 -13.861  -6.917  -8.523
  179   1HG   PRO  24          HG2       PRO  24 -11.753  -5.097  -7.638
  180   2HG   PRO  24          HG3       PRO  24 -13.074  -4.793  -8.778
  181   1HD   PRO  24          HD2       PRO  24 -12.927  -4.236  -5.875
  182   2HD   PRO  24          HD3       PRO  24 -13.973  -3.487  -7.103
  183    HA   PRO  25           HA       PRO  25 -12.396  -6.625  -2.552
  184   1HB   PRO  25          HB3       PRO  25 -13.496  -8.613  -1.084
  185   2HB   PRO  25          HB2       PRO  25 -14.164  -6.990  -1.215
  186   1HG   PRO  25          HG2       PRO  25 -14.958  -9.505  -2.623
  187   2HG   PRO  25          HG3       PRO  25 -15.994  -8.235  -1.951
  188   1HD   PRO  25          HD2       PRO  25 -15.439  -8.434  -4.607
  189   2HD   PRO  25          HD3       PRO  25 -15.746  -6.879  -3.803
  190    H    LYS  26           HN       LYS  26 -10.422  -7.352  -2.569
  191    HA   LYS  26           HA       LYS  26  -9.927 -10.229  -2.941
  192   1HB   LYS  26          HB3       LYS  26  -8.506  -7.954  -4.337
  193   2HB   LYS  26          HB2       LYS  26  -7.973  -9.626  -4.350
  194   1HG   LYS  26          HG2       LYS  26  -9.826 -10.335  -5.615
  195   2HG   LYS  26          HG3       LYS  26 -10.666  -8.798  -5.383
  196   1HD   LYS  26          HD2       LYS  26  -9.278  -7.672  -6.856
  197   2HD   LYS  26          HD3       LYS  26  -7.994  -8.879  -6.722
  198   1HE   LYS  26          HE3       LYS  26 -10.666  -9.295  -8.037
  199   2HE   LYS  26          HE2       LYS  26  -9.163  -8.939  -8.876
  200   1HZ   LYS  26          HZ1       LYS  26  -9.298 -11.219  -9.016
  201   2HZ   LYS  26          HZ2       LYS  26  -9.962 -11.399  -7.471
  202   3HZ   LYS  26          HZ3       LYS  26  -8.316 -11.029  -7.626
  203    H    LEU  27           HN       LEU  27  -8.426 -11.073  -1.652
  204    HA   LEU  27           HA       LEU  27  -7.350  -9.546   0.493
  205   1HB   LEU  27          HB3       LEU  27  -7.976 -12.032   0.434
  206   2HB   LEU  27          HB2       LEU  27  -6.471 -12.284  -0.425
  207    HG   LEU  27           HG       LEU  27  -6.489 -10.969   2.277
  208   1HD1  LEU  27          HD11      LEU  27  -6.266 -13.932   1.718
  209   2HD1  LEU  27          HD12      LEU  27  -6.136 -13.151   3.291
  210   3HD1  LEU  27          HD13      LEU  27  -7.678 -13.153   2.434
  211   1HD2  LEU  27          HD21      LEU  27  -4.432 -10.803   0.986
  212   2HD2  LEU  27          HD22      LEU  27  -4.203 -11.928   2.324
  213   3HD2  LEU  27          HD23      LEU  27  -4.451 -12.547   0.691
  214    H    ARG  28           HN       ARG  28  -5.476  -8.389   0.491
  215    HA   ARG  28           HA       ARG  28  -3.336  -9.087  -1.365
  216   1HB   ARG  28          HB3       ARG  28  -4.771  -6.439  -1.292
  217   2HB   ARG  28          HB2       ARG  28  -3.109  -6.570  -1.848
  218   1HG   ARG  28          HG3       ARG  28  -3.901  -8.248  -3.525
  219   2HG   ARG  28          HG2       ARG  28  -5.552  -7.826  -3.067
  220   1HD   ARG  28          HD2       ARG  28  -3.497  -5.843  -4.002
  221   2HD   ARG  28          HD3       ARG  28  -4.673  -6.618  -5.059
  222    HE   ARG  28           HE       ARG  28  -5.157  -4.427  -3.285
  223   1HH1  ARG  28          HH11      ARG  28  -6.893  -6.071  -5.867
  224   2HH1  ARG  28          HH12      ARG  28  -7.635  -7.068  -4.643
  225   1HH2  ARG  28          HH21      ARG  28  -7.595  -3.522  -4.120
  226   2HH2  ARG  28          HH22      ARG  28  -8.290  -4.529  -2.885
  227    H    TYR  29           HN       TYR  29  -1.346  -8.682  -0.588
  228    HA   TYR  29           HA       TYR  29  -1.120  -7.560   2.101
  229   1HB   TYR  29          HB3       TYR  29   0.710  -9.243   0.406
  230   2HB   TYR  29          HB2       TYR  29   1.323  -8.374   1.805
  231    HD1  TYR  29           HD1      TYR  29   1.989 -10.747   2.511
  232    HD2  TYR  29           HD2      TYR  29  -2.066  -9.510   2.212
  233    HE1  TYR  29           HE1      TYR  29   1.324 -12.639   3.941
  234    HE2  TYR  29           HE2      TYR  29  -2.748 -11.398   3.635
  235    HH   TYR  29           HH       TYR  29  -1.415 -12.849   5.543
  236    H    VAL  30           HN       VAL  30  -1.404  -5.470   1.653
  237    HA   VAL  30           HA       VAL  30  -0.015  -4.040  -0.403
  238    HB   VAL  30           HB       VAL  30  -1.520  -3.002   2.007
  239   1HG1  VAL  30          HG21      VAL  30  -0.565  -1.526  -0.456
  240   2HG1  VAL  30          HG22      VAL  30  -1.695  -0.881   0.730
  241   3HG1  VAL  30          HG23      VAL  30  -0.036  -1.258   1.202
  242   1HG2  VAL  30          HG11      VAL  30  -2.432  -3.154  -0.859
  243   2HG2  VAL  30          HG12      VAL  30  -2.810  -4.390   0.349
  244   3HG2  VAL  30          HG13      VAL  30  -3.396  -2.743   0.558
  245    H    PHE  31           HN       PHE  31   2.078  -3.608  -0.362
  246    HA   PHE  31           HA       PHE  31   3.340  -3.004   2.232
  247   1HB   PHE  31          HB2       PHE  31   4.804  -3.795  -0.282
  248   2HB   PHE  31          HB3       PHE  31   5.426  -3.759   1.359
  249    HD1  PHE  31           HD1      PHE  31   4.242  -5.454   3.049
  250    HD2  PHE  31           HD2      PHE  31   4.210  -5.756  -1.207
  251    HE1  PHE  31           HE1      PHE  31   3.799  -7.877   3.211
  252    HE2  PHE  31           HE2      PHE  31   3.763  -8.168  -1.042
  253    HZ   PHE  31           HZ       PHE  31   3.554  -9.223   1.166
  254    H    LEU  32           HN       LEU  32   3.942  -0.870   2.439
  255    HA   LEU  32           HA       LEU  32   4.046   0.690  -0.047
  256   1HB   LEU  32          HB2       LEU  32   4.328   2.056   2.586
  257   2HB   LEU  32          HB3       LEU  32   3.637   2.626   1.076
  258    HG   LEU  32           HG       LEU  32   2.285   0.687   2.951
  259   1HD1  LEU  32          HD11      LEU  32   2.563   3.519   3.031
  260   2HD1  LEU  32          HD12      LEU  32   0.886   3.133   2.657
  261   3HD1  LEU  32          HD13      LEU  32   1.636   2.478   4.108
  262   1HD2  LEU  32          HD21      LEU  32   1.896   0.782   0.337
  263   2HD2  LEU  32          HD22      LEU  32   0.582   0.511   1.468
  264   3HD2  LEU  32          HD23      LEU  32   0.840   2.119   0.792
  265    H    PHE  33           HN       PHE  33   5.931   1.283  -0.866
  266    HA   PHE  33           HA       PHE  33   8.335   1.027   0.819
  267   1HB   PHE  33          HB3       PHE  33   8.034   0.967  -2.202
  268   2HB   PHE  33          HB2       PHE  33   9.570   0.867  -1.358
  269    HD1  PHE  33           HD1      PHE  33   8.969  -1.160  -3.274
  270    HD2  PHE  33           HD2      PHE  33   7.802  -0.892   0.826
  271    HE1  PHE  33           HE1      PHE  33   8.816  -3.612  -3.138
  272    HE2  PHE  33           HE2      PHE  33   7.614  -3.349   0.940
  273    HZ   PHE  33           HZ       PHE  33   8.145  -4.700  -1.050
  274    H    ARG  34           HN       ARG  34  10.166   2.617  -0.282
  275    HA   ARG  34           HA       ARG  34   9.070   5.228   0.228
  276   1HB   ARG  34          HB3       ARG  34  11.398   6.022  -0.090
  277   2HB   ARG  34          HB2       ARG  34  11.203   4.766   1.118
  278   1HG   ARG  34          HG2       ARG  34  13.185   4.279  -0.043
  279   2HG   ARG  34          HG3       ARG  34  11.979   3.100  -0.563
  280   1HD   ARG  34          HD2       ARG  34  11.665   4.224  -2.634
  281   2HD   ARG  34          HD3       ARG  34  12.618   5.604  -2.088
  282    HE   ARG  34           HE       ARG  34  13.595   3.151  -3.203
  283   1HH1  ARG  34          HH11      ARG  34  14.682   6.225  -1.740
  284   2HH1  ARG  34          HH12      ARG  34  15.874   5.352  -0.805
  285   1HH2  ARG  34          HH21      ARG  34  15.870   2.689  -3.130
  286   2HH2  ARG  34          HH22      ARG  34  16.810   4.148  -3.127
  287    H    ASN  35           HN       ASN  35   9.432   3.427  -2.603
  288    HA   ASN  35           HA       ASN  35   9.404   5.871  -4.237
  289   1HB   ASN  35          HB2       ASN  35  10.085   4.436  -6.131
  290   2HB   ASN  35          HB3       ASN  35  11.245   4.386  -4.805
  291   1HD2  ASN  35          HD21      ASN  35   9.717   2.544  -7.001
  292   2HD2  ASN  35          HD22      ASN  35   9.984   1.006  -6.244
  293    H    LYS  36           HN       LYS  36   7.587   2.969  -3.494
  294    HA   LYS  36           HA       LYS  36   5.229   4.105  -4.628
  295   1HB   LYS  36          HB2       LYS  36   4.777   2.234  -6.216
  296   2HB   LYS  36          HB3       LYS  36   6.051   3.329  -6.720
  297   1HG   LYS  36          HG2       LYS  36   6.926   1.255  -7.236
  298   2HG   LYS  36          HG3       LYS  36   7.627   1.589  -5.653
  299   1HD   LYS  36          HD3       LYS  36   5.981   0.197  -4.569
  300   2HD   LYS  36          HD2       LYS  36   5.175  -0.095  -6.112
  301   1HE   LYS  36          HE3       LYS  36   8.046  -0.837  -5.620
  302   2HE   LYS  36          HE2       LYS  36   6.702  -1.924  -5.266
  303   1HZ   LYS  36          HZ1       LYS  36   6.848  -0.699  -7.925
  304   2HZ   LYS  36          HZ2       LYS  36   6.221  -2.204  -7.452
  305   3HZ   LYS  36          HZ3       LYS  36   7.900  -1.970  -7.579
  306    H    ILE  37           HN       ILE  37   3.439   2.378  -4.669
  307    HA   ILE  37           HA       ILE  37   3.567   0.936  -2.103
  308    HB   ILE  37           HB       ILE  37   1.212   1.932  -3.755
  309   1HG1  ILE  37          HG13      ILE  37   2.114   2.679  -0.961
  310   2HG1  ILE  37          HG12      ILE  37   2.357   3.651  -2.410
  311   1HG2  ILE  37          HG21      ILE  37   1.004   0.475  -1.129
  312   2HG2  ILE  37          HG22      ILE  37  -0.293   0.944  -2.223
  313   3HG2  ILE  37          HG23      ILE  37   0.848  -0.324  -2.693
  314   1HD1  ILE  37          HD11      ILE  37   0.306   4.506  -2.295
  315   2HD1  ILE  37          HD12      ILE  37  -0.428   2.931  -2.025
  316   3HD1  ILE  37          HD13      ILE  37   0.241   3.845  -0.663
  317    H    MET  38           HN       MET  38   4.100  -1.163  -2.466
  318    HA   MET  38           HA       MET  38   3.189  -2.480  -4.926
  319   1HB   MET  38          HB2       MET  38   5.586  -2.555  -4.447
  320   2HB   MET  38          HB3       MET  38   5.264  -3.337  -2.909
  321   1HG   MET  38          HG3       MET  38   4.363  -5.270  -4.052
  322   2HG   MET  38          HG2       MET  38   4.638  -4.492  -5.615
  323   1HE   MET  38          HE1       MET  38   5.723  -6.645  -6.263
  324   2HE   MET  38          HE2       MET  38   7.378  -7.116  -5.866
  325   3HE   MET  38          HE3       MET  38   6.068  -7.513  -4.765
  326    H    PHE  39           HN       PHE  39   1.163  -3.273  -4.578
  327    HA   PHE  39           HA       PHE  39   0.752  -4.849  -2.118
  328   1HB   PHE  39          HB2       PHE  39  -1.723  -4.476  -2.497
  329   2HB   PHE  39          HB3       PHE  39  -0.787  -3.040  -2.106
  330    HD1  PHE  39           HD1      PHE  39   0.033  -1.627  -4.183
  331    HD2  PHE  39           HD2      PHE  39  -3.204  -4.378  -4.245
  332    HE1  PHE  39           HE1      PHE  39  -0.903  -0.482  -6.157
  333    HE2  PHE  39           HE2      PHE  39  -4.122  -3.242  -6.212
  334    HZ   PHE  39           HZ       PHE  39  -2.976  -1.297  -7.173
  335    H    THR  40           HN       THR  40   1.035  -6.885  -2.447
  336    HA   THR  40           HA       THR  40   0.473  -8.083  -5.036
  337    HB   THR  40           HB       THR  40   1.537 -10.088  -4.032
  338    HG1  THR  40           HG1      THR  40   2.074  -8.421  -1.796
  339   1HG2  THR  40          HG21      THR  40   2.954  -8.435  -5.161
  340   2HG2  THR  40          HG22      THR  40   3.782  -9.239  -3.821
  341   3HG2  THR  40          HG23      THR  40   3.175  -7.601  -3.624
  342    H    GLU  41           HN       GLU  41  -1.264  -9.305  -5.507
  343    HA   GLU  41           HA       GLU  41  -3.318  -9.585  -3.493
  344   1HB   GLU  41          HB2       GLU  41  -3.942  -8.837  -5.730
  345   2HB   GLU  41          HB3       GLU  41  -3.307 -10.320  -6.425
  346   1HG   GLU  41          HG2       GLU  41  -5.029 -11.476  -4.849
  347   2HG   GLU  41          HG3       GLU  41  -5.772  -9.879  -4.801
  348    H    GLN  42           HN       GLN  42  -3.986 -11.418  -2.550
  349    HA   GLN  42           HA       GLN  42  -2.875 -13.974  -3.455
  350   1HB   GLN  42          HB2       GLN  42  -3.082 -13.162  -0.545
  351   2HB   GLN  42          HB3       GLN  42  -2.545 -14.724  -1.149
  352   1HG   GLN  42          HG2       GLN  42  -0.678 -13.481  -2.300
  353   2HG   GLN  42          HG3       GLN  42  -1.169 -12.070  -1.362
  354   1HE2  GLN  42          HE21      GLN  42   1.110 -14.261  -1.421
  355   2HE2  GLN  42          HE22      GLN  42   1.248 -14.771   0.223
  356    H    ASP  43           HN       ASP  43  -4.869 -14.293  -4.437
  357    HA   ASP  43           HA       ASP  43  -7.220 -14.428  -2.732
  358   1HB   ASP  43          HB3       ASP  43  -7.333 -13.359  -5.014
  359   2HB   ASP  43          HB2       ASP  43  -7.026 -14.949  -5.715
  360    H    ALA  44           HN       ALA  44  -6.352 -16.154  -1.513
  361    HA   ALA  44           HA       ALA  44  -6.240 -18.301  -0.854
  362   1HB   ALA  44          HB1       ALA  44  -7.838 -19.794  -1.622
  363   2HB   ALA  44          HB2       ALA  44  -8.543 -18.232  -2.045
  364   3HB   ALA  44          HB3       ALA  44  -7.748 -19.196  -3.282
  365    H    SER  45           HN       SER  45  -6.202 -20.564  -2.915
  366    HA   SER  45           HA       SER  45  -3.556 -20.041  -4.054
  367   1HB   SER  45          HB3       SER  45  -3.087 -22.532  -3.426
  368   2HB   SER  45          HB2       SER  45  -2.942 -21.293  -2.179
  369    HG   SER  45           HG       SER  45  -5.445 -22.467  -2.492
  370    H    THR  46           HN       THR  46  -3.422 -20.536  -6.068
  371    HA   THR  46           HA       THR  46  -3.905 -21.168  -8.174
  372    HB   THR  46           HB       THR  46  -4.679 -23.544  -8.525
  373    HG1  THR  46           HG1      THR  46  -5.431 -23.343  -6.015
  374   1HG2  THR  46          HG21      THR  46  -2.600 -24.394  -6.966
  375   2HG2  THR  46          HG22      THR  46  -2.223 -22.693  -7.216
  376   3HG2  THR  46          HG23      THR  46  -2.463 -23.748  -8.604
  377    H    SER  47           HN       SER  47  -5.604 -19.410  -7.405
  378    HA   SER  47           HA       SER  47  -8.278 -20.393  -8.143
  379   1HB   SER  47          HB2       SER  47  -7.435 -17.885  -6.651
  380   2HB   SER  47          HB3       SER  47  -9.097 -18.269  -7.098
  381    HG   SER  47           HG       SER  47  -8.477 -20.364  -5.890
  382    HA   PRO  48           HA       PRO  48  -8.411 -18.415 -12.057
  383   1HB   PRO  48          HB2       PRO  48 -10.301 -16.322 -11.405
  384   2HB   PRO  48          HB3       PRO  48 -10.532 -17.765 -12.389
  385   1HG   PRO  48          HG2       PRO  48 -11.290 -17.298  -9.600
  386   2HG   PRO  48          HG3       PRO  48 -11.794 -18.587 -10.704
  387   1HD   PRO  48          HD2       PRO  48 -10.162 -18.951  -8.552
  388   2HD   PRO  48          HD3       PRO  48 -10.159 -20.002  -9.980
  389    HA   PRO  49           HA       PRO  49  -7.177 -13.839 -11.296
  390   1HB   PRO  49          HB2       PRO  49  -7.040 -13.414  -8.404
  391   2HB   PRO  49          HB3       PRO  49  -7.909 -12.486  -9.625
  392   1HG   PRO  49          HG3       PRO  49  -9.170 -14.033  -7.790
  393   2HG   PRO  49          HG2       PRO  49  -9.818 -13.747  -9.421
  394   1HD   PRO  49          HD3       PRO  49  -8.336 -16.119  -8.350
  395   2HD   PRO  49          HD2       PRO  49  -9.753 -16.070  -9.420
  396    H    SER  50           HN       SER  50  -6.002 -14.472  -8.091
  397    HA   SER  50           HA       SER  50  -3.956 -14.859  -7.233
  398   1HB   SER  50          HB3       SER  50  -3.434 -16.328  -9.832
  399   2HB   SER  50          HB2       SER  50  -2.515 -16.479  -8.336
  400    HG   SER  50           HG       SER  50  -5.072 -17.412  -8.963
  401    H    TYR  51           HN       TYR  51  -3.748 -12.507  -7.516
  402    HA   TYR  51           HA       TYR  51  -2.413 -10.710  -7.801
  403   1HB   TYR  51          HB2       TYR  51  -0.464 -12.197  -7.706
  404   2HB   TYR  51          HB3       TYR  51  -0.641 -12.546  -9.425
  405    HD1  TYR  51           HD1      TYR  51  -0.495  -9.490  -7.273
  406    HD2  TYR  51           HD2      TYR  51   0.876 -11.432 -10.793
  407    HE1  TYR  51           HE1      TYR  51   0.893  -7.541  -7.785
  408    HE2  TYR  51           HE2      TYR  51   2.278  -9.481 -11.329
  409    HH   TYR  51           HH       TYR  51   3.370  -7.515  -9.773
  410    H    THR  52           HN       THR  52  -3.304  -9.179  -8.955
  411    HA   THR  52           HA       THR  52  -4.381  -9.584 -11.540
  412    HB   THR  52           HB       THR  52  -4.635  -6.963 -11.304
  413    HG1  THR  52           HG1      THR  52  -4.834  -7.010  -8.700
  414   1HG2  THR  52          HG21      THR  52  -6.053  -9.032  -9.678
  415   2HG2  THR  52          HG22      THR  52  -6.557  -8.280 -11.189
  416   3HG2  THR  52          HG23      THR  52  -6.548  -7.336  -9.697
  417    H    HIS  53           HN       HIS  53  -3.712  -7.118 -12.834
  418    HA   HIS  53           HA       HIS  53  -1.106  -7.903 -13.878
  419   1HB   HIS  53          HB2       HIS  53  -3.334  -6.171 -14.875
  420   2HB   HIS  53          HB3       HIS  53  -1.731  -6.022 -15.581
  421    HD1  HIS  53           HD1      HIS  53  -3.708  -9.164 -14.632
  422    HD2  HIS  53           HD2      HIS  53  -1.868  -7.385 -17.924
  423    HE1  HIS  53           HE1      HIS  53  -3.991 -10.776 -16.514
  424    HE2  HIS  53           HE2      HIS  53  -2.687  -9.799 -18.426
  425    H    TYR  54           HN       TYR  54   0.454  -7.183 -12.613
  426    HA   TYR  54           HA       TYR  54   1.909  -5.779 -11.589
  427   1HB   TYR  54          HB2       TYR  54   0.929  -4.051 -13.856
  428   2HB   TYR  54          HB3       TYR  54   2.182  -3.510 -12.740
  429    HD1  TYR  54           HD1      TYR  54   1.390  -6.541 -14.780
  430    HD2  TYR  54           HD2      TYR  54   4.396  -3.843 -13.427
  431    HE1  TYR  54           HE1      TYR  54   3.077  -7.771 -16.069
  432    HE2  TYR  54           HE2      TYR  54   6.088  -5.093 -14.722
  433    HH   TYR  54           HH       TYR  54   5.616  -6.921 -17.112
  434    H    SER  55           HN       SER  55   0.290  -5.872  -9.776
  435    HA   SER  55           HA       SER  55  -1.336  -3.557  -9.299
  436   1HB   SER  55          HB3       SER  55  -0.517  -5.464  -7.145
  437   2HB   SER  55          HB2       SER  55  -2.083  -4.707  -7.435
  438    HG   SER  55           HG       SER  55  -2.617  -6.368  -8.630
  439    H    SER  56           HN       SER  56   0.281  -1.935  -9.558
  440    HA   SER  56           HA       SER  56   1.726  -1.454  -7.069
  441   1HB   SER  56          HB2       SER  56   3.316  -2.473  -8.716
  442   2HB   SER  56          HB3       SER  56   2.980  -1.126  -9.802
  443    HG   SER  56           HG       SER  56   4.663  -0.374  -8.784
  444    H    ILE  57           HN       ILE  57   1.422   0.509  -6.359
  445    HA   ILE  57           HA       ILE  57   0.261   2.547  -8.159
  446    HB   ILE  57           HB       ILE  57   0.081   2.123  -5.181
  447   1HG1  ILE  57          HG13      ILE  57  -1.602   1.002  -6.583
  448   2HG1  ILE  57          HG12      ILE  57  -2.322   2.241  -5.565
  449   1HG2  ILE  57          HG21      ILE  57  -1.103   4.564  -6.411
  450   2HG2  ILE  57          HG22      ILE  57  -0.634   4.262  -4.737
  451   3HG2  ILE  57          HG23      ILE  57   0.597   4.578  -5.964
  452   1HD1  ILE  57          HD11      ILE  57  -2.401   1.982  -8.427
  453   2HD1  ILE  57          HD12      ILE  57  -3.317   3.040  -7.346
  454   3HD1  ILE  57          HD13      ILE  57  -1.750   3.555  -7.940
  455    H    ARG  58           HN       ARG  58   1.481   4.309  -8.624
  456    HA   ARG  58           HA       ARG  58   4.133   4.453  -7.598
  457   1HB   ARG  58          HB3       ARG  58   2.920   5.375  -9.863
  458   2HB   ARG  58          HB2       ARG  58   3.129   6.858  -8.941
  459   1HG   ARG  58          HG3       ARG  58   5.288   4.904  -9.702
  460   2HG   ARG  58          HG2       ARG  58   5.007   6.498 -10.401
  461   1HD   ARG  58          HD3       ARG  58   5.670   7.605  -8.460
  462   2HD   ARG  58          HD2       ARG  58   5.545   6.146  -7.475
  463    HE   ARG  58           HE       ARG  58   7.708   5.688  -8.033
  464   1HH1  ARG  58          HH11      ARG  58   6.721   7.312 -11.265
  465   2HH1  ARG  58          HH12      ARG  58   7.714   8.546 -10.536
  466   1HH2  ARG  58          HH22      ARG  58   9.414   5.514 -10.465
  467   2HH2  ARG  58          HH21      ARG  58   9.918   6.966  -9.649
  468    H    LEU  59           HN       LEU  59   4.913   5.651  -5.977
  469    HA   LEU  59           HA       LEU  59   3.020   7.112  -4.316
  470   1HB   LEU  59          HB2       LEU  59   4.751   5.365  -3.529
  471   2HB   LEU  59          HB3       LEU  59   5.907   6.678  -3.657
  472    HG   LEU  59           HG       LEU  59   4.473   7.992  -2.080
  473   1HD1  LEU  59          HD11      LEU  59   2.388   6.775  -2.482
  474   2HD1  LEU  59          HD12      LEU  59   3.062   5.353  -1.688
  475   3HD1  LEU  59          HD13      LEU  59   2.790   6.850  -0.769
  476   1HD2  LEU  59          HD21      LEU  59   5.983   7.277  -0.626
  477   2HD2  LEU  59          HD22      LEU  59   4.959   5.872  -0.291
  478   3HD2  LEU  59          HD23      LEU  59   6.201   5.784  -1.536
  479    H    ASP  60           HN       ASP  60   4.613   8.060  -6.894
  480    HA   ASP  60           HA       ASP  60   5.755  10.507  -5.760
  481   1HB   ASP  60          HB3       ASP  60   7.125   9.235  -7.331
  482   2HB   ASP  60          HB2       ASP  60   5.886   9.412  -8.571
  483    H    LYS  61           HN       LYS  61   3.242   9.414  -7.955
  484    HA   LYS  61           HA       LYS  61   1.902  11.968  -7.632
  485   1HB   LYS  61          HB2       LYS  61   2.963  10.981 -10.249
  486   2HB   LYS  61          HB3       LYS  61   1.407  11.801 -10.233
  487   1HG   LYS  61          HG2       LYS  61   2.588  13.708  -9.015
  488   2HG   LYS  61          HG3       LYS  61   4.097  12.899  -9.442
  489   1HD   LYS  61          HD3       LYS  61   2.026  13.566 -11.496
  490   2HD   LYS  61          HD2       LYS  61   3.246  14.737 -10.997
  491   1HE   LYS  61          HE2       LYS  61   4.101  13.688 -12.933
  492   2HE   LYS  61          HE3       LYS  61   4.986  12.994 -11.578
  493   1HZ   LYS  61          HZ1       LYS  61   3.980  10.965 -11.857
  494   2HZ   LYS  61          HZ2       LYS  61   4.013  11.514 -13.468
  495   3HZ   LYS  61          HZ3       LYS  61   2.586  11.617 -12.559
  496    H    TYR  62           HN       TYR  62   0.281  10.902  -6.517
  497    HA   TYR  62           HA       TYR  62  -1.603   9.506  -8.200
  498   1HB   TYR  62          HB3       TYR  62  -1.848   7.542  -6.857
  499   2HB   TYR  62          HB2       TYR  62  -0.126   7.700  -7.192
  500    HD1  TYR  62           HD1      TYR  62   1.214   9.054  -5.293
  501    HD2  TYR  62           HD2      TYR  62  -2.538   7.084  -4.757
  502    HE1  TYR  62           HE1      TYR  62   1.610   8.968  -2.880
  503    HE2  TYR  62           HE2      TYR  62  -2.141   6.980  -2.345
  504    HH   TYR  62           HH       TYR  62   0.622   8.617  -0.866
  505    H    ASN  63           HN       ASN  63  -3.741   9.766  -7.449
  506    HA   ASN  63           HA       ASN  63  -3.951  11.739  -5.306
  507   1HB   ASN  63          HB2       ASN  63  -4.923  12.260  -7.513
  508   2HB   ASN  63          HB3       ASN  63  -6.029  10.909  -7.310
  509   1HD2  ASN  63          HD21      ASN  63  -7.912  11.894  -7.166
  510   2HD2  ASN  63          HD22      ASN  63  -8.264  13.281  -6.211
  511    H    ILE  64           HN       ILE  64  -3.991  10.657  -3.468
  512    HA   ILE  64           HA       ILE  64  -5.862   8.410  -3.155
  513    HB   ILE  64           HB       ILE  64  -3.495   8.099  -2.459
  514   1HG1  ILE  64          HG12      ILE  64  -5.395   7.870  -0.127
  515   2HG1  ILE  64          HG13      ILE  64  -5.482   6.812  -1.538
  516   1HG2  ILE  64          HG21      ILE  64  -4.155  10.425  -0.796
  517   2HG2  ILE  64          HG22      ILE  64  -3.315   9.124   0.052
  518   3HG2  ILE  64          HG23      ILE  64  -2.586   9.853  -1.378
  519   1HD1  ILE  64          HD11      ILE  64  -4.231   5.704   0.196
  520   2HD1  ILE  64          HD12      ILE  64  -3.125   6.146  -1.103
  521   3HD1  ILE  64          HD13      ILE  64  -3.168   7.102   0.376
  522    H    ARG  65           HN       ARG  65  -7.541   8.411  -1.792
  523    HA   ARG  65           HA       ARG  65  -8.005  10.710  -0.044
  524   1HB   ARG  65          HB2       ARG  65 -10.176   9.722  -1.844
  525   2HB   ARG  65          HB3       ARG  65 -10.137  11.201  -0.916
  526   1HG   ARG  65          HG3       ARG  65  -8.321  12.002  -2.416
  527   2HG   ARG  65          HG2       ARG  65  -8.625  10.583  -3.422
  528   1HD   ARG  65          HD3       ARG  65  -9.824  12.442  -4.353
  529   2HD   ARG  65          HD2       ARG  65 -10.989  11.328  -3.640
  530    HE   ARG  65           HE       ARG  65 -11.673  13.043  -2.297
  531   1HH1  ARG  65          HH11      ARG  65  -8.858  14.752  -3.809
  532   2HH1  ARG  65          HH12      ARG  65  -8.028  14.292  -2.345
  533   1HH2  ARG  65          HH22      ARG  65 -11.288  15.778  -1.922
  534   2HH2  ARG  65          HH21      ARG  65 -10.520  15.123  -0.515
  535    H    GLN  66           HN       GLN  66 -10.336  10.164   1.059
  536    HA   GLN  66           HA       GLN  66 -10.720   7.331   1.444
  537   1HB   GLN  66          HB3       GLN  66 -10.141   7.124   3.688
  538   2HB   GLN  66          HB2       GLN  66  -8.797   8.001   2.983
  539   1HG   GLN  66          HG2       GLN  66 -11.042   9.253   4.550
  540   2HG   GLN  66          HG3       GLN  66  -9.467   8.831   5.211
  541   1HE2  GLN  66          HE21      GLN  66 -11.230  11.298   4.277
  542   2HE2  GLN  66          HE22      GLN  66  -9.940  12.417   3.995
  543    H    HIS  67           HN       HIS  67 -12.668   6.860   2.747
  544    HA   HIS  67           HA       HIS  67 -14.424   9.219   2.914
  545   1HB   HIS  67          HB3       HIS  67 -15.083   6.415   2.017
  546   2HB   HIS  67          HB2       HIS  67 -16.305   7.631   2.385
  547    HD1  HIS  67           HD1      HIS  67 -15.790  10.006   0.890
  548    HD2  HIS  67           HD2      HIS  67 -14.449   6.345  -0.577
  549    HE1  HIS  67           HE1      HIS  67 -15.472  10.339  -1.584
  550    HE2  HIS  67           HE2      HIS  67 -14.557   8.136  -2.437
  551    H    THR  68           HN       THR  68 -15.708   9.434   4.687
  552    HA   THR  68           HA       THR  68 -14.914   7.911   6.990
  553    HB   THR  68           HB       THR  68 -16.978  10.118   6.802
  554    HG1  THR  68           HG1      THR  68 -15.298  11.498   7.263
  555   1HG2  THR  68          HG21      THR  68 -15.623   8.767   9.068
  556   2HG2  THR  68          HG22      THR  68 -17.262   9.400   8.937
  557   3HG2  THR  68          HG23      THR  68 -15.905  10.505   9.181
  558    H    THR  69           HN       THR  69 -15.750   6.061   7.447
  559    HA   THR  69           HA       THR  69 -18.561   5.633   7.768
  560    HB   THR  69           HB       THR  69 -17.117   3.666   5.991
  561    HG1  THR  69           HG1      THR  69 -18.118   6.144   5.293
  562   1HG2  THR  69          HG21      THR  69 -19.028   2.576   6.401
  563   2HG2  THR  69          HG22      THR  69 -19.702   3.666   5.190
  564   3HG2  THR  69          HG23      THR  69 -19.873   4.036   6.907
  565    H    ASP  70           HN       ASP  70 -18.531   2.927   8.450
  566    HA   ASP  70           HA       ASP  70 -17.357   2.722  10.876
  567   1HB   ASP  70          HB2       ASP  70 -17.575   0.435   8.907
  568   2HB   ASP  70          HB3       ASP  70 -17.467   0.292  10.654
  569    H    GLU  71           HN       GLU  71 -15.879   1.707   7.820
  570    HA   GLU  71           HA       GLU  71 -13.272   1.901   9.171
  571   1HB   GLU  71          HB3       GLU  71 -13.915   0.095   6.830
  572   2HB   GLU  71          HB2       GLU  71 -12.375   0.220   7.665
  573   1HG   GLU  71          HG3       GLU  71 -13.442  -0.652   9.703
  574   2HG   GLU  71          HG2       GLU  71 -14.939  -0.874   8.790
  575    H    ASP  72           HN       ASP  72 -12.189   3.597   8.475
  576    HA   ASP  72           HA       ASP  72 -12.952   5.251   6.366
  577   1HB   ASP  72          HB3       ASP  72 -10.242   4.969   7.665
  578   2HB   ASP  72          HB2       ASP  72 -10.693   6.270   6.566
  579    H    THR  73           HN       THR  73 -13.167   4.558   4.410
  580    HA   THR  73           HA       THR  73 -11.550   2.540   3.221
  581    HB   THR  73           HB       THR  73 -13.496   4.387   1.851
  582    HG1  THR  73           HG1      THR  73 -13.922   2.693   3.907
  583   1HG2  THR  73          HG21      THR  73 -13.571   1.544   1.276
  584   2HG2  THR  73          HG22      THR  73 -12.031   2.294   0.854
  585   3HG2  THR  73          HG23      THR  73 -13.539   2.915   0.170
  586    H    ILE  74           HN       ILE  74  -9.500   2.991   2.727
  587    HA   ILE  74           HA       ILE  74  -8.700   5.611   1.810
  588    HB   ILE  74           HB       ILE  74  -7.030   3.091   1.936
  589   1HG1  ILE  74          HG13      ILE  74  -8.119   3.685   4.134
  590   2HG1  ILE  74          HG12      ILE  74  -6.358   3.704   4.151
  591   1HG2  ILE  74          HG21      ILE  74  -5.496   5.354   2.491
  592   2HG2  ILE  74          HG22      ILE  74  -5.451   4.344   1.050
  593   3HG2  ILE  74          HG23      ILE  74  -6.489   5.782   1.103
  594   1HD1  ILE  74          HD11      ILE  74  -8.209   5.816   4.751
  595   2HD1  ILE  74          HD12      ILE  74  -6.468   5.737   5.028
  596   3HD1  ILE  74          HD13      ILE  74  -7.089   6.307   3.482
  597    H    VAL  75           HN       VAL  75  -9.544   5.956  -0.221
  598    HA   VAL  75           HA       VAL  75  -9.191   3.899  -2.244
  599    HB   VAL  75           HB       VAL  75 -10.748   5.086  -3.592
  600   1HG1  VAL  75          HG11      VAL  75 -11.594   4.966  -0.720
  601   2HG1  VAL  75          HG12      VAL  75 -12.718   5.252  -2.052
  602   3HG1  VAL  75          HG13      VAL  75 -11.803   3.737  -1.965
  603   1HG2  VAL  75          HG21      VAL  75 -11.743   7.237  -2.944
  604   2HG2  VAL  75          HG22      VAL  75 -10.644   7.319  -1.560
  605   3HG2  VAL  75          HG23      VAL  75 -10.004   7.374  -3.206
  606    H    LEU  76           HN       LEU  76  -7.834   4.042  -3.930
  607    HA   LEU  76           HA       LEU  76  -6.188   6.480  -4.110
  608   1HB   LEU  76          HB2       LEU  76  -5.476   3.659  -4.934
  609   2HB   LEU  76          HB3       LEU  76  -4.464   5.070  -5.172
  610    HG   LEU  76           HG       LEU  76  -4.481   5.332  -2.649
  611   1HD1  LEU  76          HD11      LEU  76  -6.390   3.616  -2.434
  612   2HD1  LEU  76          HD12      LEU  76  -5.101   2.411  -2.561
  613   3HD1  LEU  76          HD13      LEU  76  -5.087   3.591  -1.253
  614   1HD2  LEU  76          HD21      LEU  76  -2.430   4.501  -2.802
  615   2HD2  LEU  76          HD22      LEU  76  -3.038   2.864  -3.014
  616   3HD2  LEU  76          HD23      LEU  76  -2.851   3.916  -4.423
  617    H    GLN  77           HN       GLN  77  -6.474   7.672  -5.805
  618    HA   GLN  77           HA       GLN  77  -7.708   6.451  -8.184
  619   1HB   GLN  77          HB2       GLN  77  -7.879   9.289  -7.177
  620   2HB   GLN  77          HB3       GLN  77  -8.641   8.657  -8.628
  621   1HG   GLN  77          HG3       GLN  77  -9.997   7.154  -7.303
  622   2HG   GLN  77          HG2       GLN  77  -9.219   7.724  -5.829
  623   1HE2  GLN  77          HE21      GLN  77  -9.444  10.320  -7.812
  624   2HE2  GLN  77          HE22      GLN  77 -10.965  10.953  -7.299
  625    HA   PRO  78           HA       PRO  78  -4.001   7.706 -10.253
  626   1HB   PRO  78          HB2       PRO  78  -4.470   6.499 -12.571
  627   2HB   PRO  78          HB3       PRO  78  -4.261   5.561 -11.087
  628   1HG   PRO  78          HG3       PRO  78  -6.777   6.252 -12.548
  629   2HG   PRO  78          HG2       PRO  78  -6.335   4.753 -11.720
  630   1HD   PRO  78          HD3       PRO  78  -7.912   6.824 -10.679
  631   2HD   PRO  78          HD2       PRO  78  -7.185   5.499  -9.754
  632    H    GLN  79           HN       GLN  79  -3.922   9.870 -10.667
  633    HA   GLN  79           HA       GLN  79  -5.803  11.236 -12.342
  634   1HB   GLN  79          HB2       GLN  79  -4.403  13.177 -12.017
  635   2HB   GLN  79          HB3       GLN  79  -4.541  12.332 -10.483
  636   1HG   GLN  79          HG2       GLN  79  -2.182  12.230 -12.356
  637   2HG   GLN  79          HG3       GLN  79  -2.270  13.119 -10.840
  638   1HE2  GLN  79          HE21      GLN  79  -0.761  10.722 -12.058
  639   2HE2  GLN  79          HE22      GLN  79  -0.574   9.756 -10.643
  640    H    GLU  80           HN       GLU  80  -3.480   9.085 -13.038
  641    HA   GLU  80           HA       GLU  80  -3.063  10.116 -15.743
  642   1HB   GLU  80          HB3       GLU  80  -0.977   8.937 -13.903
  643   2HB   GLU  80          HB2       GLU  80  -0.747   9.114 -15.637
  644   1HG   GLU  80          HG3       GLU  80  -0.899  11.509 -15.466
  645   2HG   GLU  80          HG2       GLU  80  -1.344  11.394 -13.765
  646    HA   PRO  81           HA       PRO  81  -4.951   6.188 -16.641
  647   1HB   PRO  81          HB3       PRO  81  -3.719   6.625 -19.298
  648   2HB   PRO  81          HB2       PRO  81  -5.405   6.343 -18.882
  649   1HG   PRO  81          HG3       PRO  81  -4.530   8.763 -19.624
  650   2HG   PRO  81          HG2       PRO  81  -5.811   8.555 -18.421
  651   1HD   PRO  81          HD3       PRO  81  -2.948   9.271 -18.042
  652   2HD   PRO  81          HD2       PRO  81  -4.370   9.814 -17.123
  653    H    GLY  82           HN       GLY  82  -3.983   4.393 -15.886
  654   1HA   GLY  82          HA1       GLY  82  -2.327   2.673 -17.023
  655   2HA   GLY  82          HA2       GLY  82  -1.159   3.904 -16.555
  656    H    LEU  83           HN       LEU  83  -2.669   4.571 -14.131
  657    HA   LEU  83           HA       LEU  83  -1.667   2.419 -12.439
  658   1HB   LEU  83          HB3       LEU  83  -2.672   5.192 -11.793
  659   2HB   LEU  83          HB2       LEU  83  -2.133   4.027 -10.606
  660    HG   LEU  83           HG       LEU  83  -0.413   5.210 -12.774
  661   1HD1  LEU  83          HD21      LEU  83  -0.329   5.716  -9.797
  662   2HD1  LEU  83          HD22      LEU  83   0.635   6.480 -11.045
  663   3HD1  LEU  83          HD23      LEU  83  -1.106   6.796 -10.960
  664   1HD2  LEU  83          HD11      LEU  83   1.129   4.084 -10.744
  665   2HD2  LEU  83          HD12      LEU  83  -0.121   2.898 -11.098
  666   3HD2  LEU  83          HD13      LEU  83   0.924   3.491 -12.393
  667    HA   PRO  84           HA       PRO  84  -5.760   0.831 -11.836
  668   1HB   PRO  84          HB2       PRO  84  -5.300  -0.676  -9.637
  669   2HB   PRO  84          HB3       PRO  84  -4.727  -1.140 -11.235
  670   1HG   PRO  84          HG2       PRO  84  -3.233   0.155  -8.978
  671   2HG   PRO  84          HG3       PRO  84  -2.707  -1.138 -10.070
  672   1HD   PRO  84          HD2       PRO  84  -1.962   1.462 -10.384
  673   2HD   PRO  84          HD3       PRO  84  -2.128   0.318 -11.728
  674    H    SER  85           HN       SER  85  -7.561   1.303 -10.614
  675    HA   SER  85           HA       SER  85  -7.135   3.128  -8.332
  676   1HB   SER  85          HB3       SER  85  -9.615   3.785  -8.947
  677   2HB   SER  85          HB2       SER  85  -8.261   4.470  -9.846
  678    HG   SER  85           HG       SER  85  -8.586   2.825 -11.427
  679    H    PHE  86           HN       PHE  86  -7.453   2.093  -6.483
  680    HA   PHE  86           HA       PHE  86  -9.781   0.339  -6.267
  681   1HB   PHE  86          HB3       PHE  86  -8.548  -1.397  -5.205
  682   2HB   PHE  86          HB2       PHE  86  -7.711  -1.022  -6.704
  683    HD1  PHE  86           HD1      PHE  86  -5.858   0.899  -6.357
  684    HD2  PHE  86           HD2      PHE  86  -7.259  -1.808  -3.426
  685    HE1  PHE  86           HE1      PHE  86  -3.749   1.174  -5.127
  686    HE2  PHE  86           HE2      PHE  86  -5.151  -1.571  -2.185
  687    HZ   PHE  86           HZ       PHE  86  -3.389  -0.057  -3.024
  688    H    ARG  87           HN       ARG  87  -9.881  -0.370  -3.765
  689    HA   ARG  87           HA       ARG  87  -9.265   2.013  -2.162
  690   1HB   ARG  87          HB3       ARG  87 -11.742   0.444  -1.585
  691   2HB   ARG  87          HB2       ARG  87 -11.419   2.143  -1.318
  692   1HG   ARG  87          HG3       ARG  87 -12.062   2.757  -3.408
  693   2HG   ARG  87          HG2       ARG  87 -11.641   1.199  -4.125
  694   1HD   ARG  87          HD3       ARG  87 -13.554   0.174  -3.048
  695   2HD   ARG  87          HD2       ARG  87 -13.964   1.698  -2.266
  696    HE   ARG  87           HE       ARG  87 -13.904   2.124  -5.028
  697   1HH1  ARG  87          HH12      ARG  87 -16.004   0.710  -2.527
  698   2HH1  ARG  87          HH11      ARG  87 -17.030   0.010  -3.747
  699   1HH2  ARG  87          HH21      ARG  87 -16.018   1.223  -6.407
  700   2HH2  ARG  87          HH22      ARG  87 -16.918   2.413  -5.506
  701    H    ILE  88           HN       ILE  88  -8.625   1.556  -0.047
  702    HA   ILE  88           HA       ILE  88  -8.614  -1.286   0.675
  703    HB   ILE  88           HB       ILE  88  -6.337  -0.735   1.835
  704   1HG1  ILE  88          HG12      ILE  88  -6.337   1.250  -0.461
  705   2HG1  ILE  88          HG13      ILE  88  -6.314   1.664   1.249
  706   1HG2  ILE  88          HG21      ILE  88  -5.180  -1.441  -0.308
  707   2HG2  ILE  88          HG22      ILE  88  -6.483  -2.476   0.287
  708   3HG2  ILE  88          HG23      ILE  88  -6.777  -1.381  -1.055
  709   1HD1  ILE  88          HD11      ILE  88  -4.159   0.530   1.470
  710   2HD1  ILE  88          HD12      ILE  88  -4.161   0.233  -0.268
  711   3HD1  ILE  88          HD13      ILE  88  -4.129   1.889   0.351
  712    H    LYS  89           HN       LYS  89  -9.316  -1.782   2.596
  713    HA   LYS  89           HA       LYS  89  -9.237   0.188   4.722
  714   1HB   LYS  89          HB3       LYS  89 -11.476  -0.336   5.414
  715   2HB   LYS  89          HB2       LYS  89 -11.585   0.043   3.702
  716   1HG   LYS  89          HG2       LYS  89 -11.994  -2.161   3.108
  717   2HG   LYS  89          HG3       LYS  89 -11.334  -2.796   4.626
  718   1HD   LYS  89          HD2       LYS  89 -13.224  -1.693   5.819
  719   2HD   LYS  89          HD3       LYS  89 -13.919  -1.285   4.249
  720   1HE   LYS  89          HE2       LYS  89 -14.098  -3.628   3.690
  721   2HE   LYS  89          HE3       LYS  89 -13.295  -4.072   5.200
  722   1HZ   LYS  89          HZ1       LYS  89 -15.857  -2.571   5.089
  723   2HZ   LYS  89          HZ2       LYS  89 -15.117  -3.255   6.458
  724   3HZ   LYS  89          HZ3       LYS  89 -15.762  -4.254   5.245
  725    HA   PRO  90           HA       PRO  90  -7.254  -2.975   7.001
  726   1HB   PRO  90          HB3       PRO  90  -9.469  -2.874   9.000
  727   2HB   PRO  90          HB2       PRO  90  -7.723  -2.794   9.260
  728   1HG   PRO  90          HG3       PRO  90  -9.241  -0.616   9.371
  729   2HG   PRO  90          HG2       PRO  90  -7.617  -0.562   8.674
  730   1HD   PRO  90          HD3       PRO  90 -10.246  -0.455   7.309
  731   2HD   PRO  90          HD2       PRO  90  -8.693   0.259   6.841
  732    H    LYS  91           HN       LYS  91 -10.776  -3.443   7.005
  733    HA   LYS  91           HA       LYS  91 -12.091  -5.291   6.844
  734   1HB   LYS  91          HB2       LYS  91 -10.572  -4.994   4.556
  735   2HB   LYS  91          HB3       LYS  91 -10.359  -6.687   4.979
  736   1HG   LYS  91          HG3       LYS  91 -13.045  -5.358   4.662
  737   2HG   LYS  91          HG2       LYS  91 -12.214  -6.251   3.388
  738   1HD   LYS  91          HD3       LYS  91 -12.858  -7.451   6.067
  739   2HD   LYS  91          HD2       LYS  91 -13.982  -7.489   4.707
  740   1HE   LYS  91          HE2       LYS  91 -12.278  -8.596   3.355
  741   2HE   LYS  91          HE3       LYS  91 -11.203  -8.629   4.750
  742   1HZ   LYS  91          HZ1       LYS  91 -13.811 -10.000   4.473
  743   2HZ   LYS  91          HZ2       LYS  91 -12.919  -9.944   5.914
  744   3HZ   LYS  91          HZ3       LYS  91 -12.284 -10.723   4.544
  745    H    ASP  92           HN       ASP  92 -10.117  -5.431   8.918
  746    HA   ASP  92           HA       ASP  92  -9.551  -8.323   8.918
  747   1HB   ASP  92          HB3       ASP  92  -7.660  -6.477   9.015
  748   2HB   ASP  92          HB2       ASP  92  -8.095  -6.434  10.722
  749    H    PHE  93           HN       PHE  93  -9.542  -6.038  11.648
  750    HA   PHE  93           HA       PHE  93 -11.774  -7.570  12.795
  751   1HB   PHE  93          HB2       PHE  93  -9.368  -6.615  14.362
  752   2HB   PHE  93          HB3       PHE  93 -10.747  -7.521  14.981
  753    HD1  PHE  93           HD1      PHE  93  -7.715  -7.708  12.959
  754    HD2  PHE  93           HD2      PHE  93 -10.934  -9.882  14.703
  755    HE1  PHE  93           HE1      PHE  93  -6.514  -9.811  12.531
  756    HE2  PHE  93           HE2      PHE  93  -9.742 -11.998  14.294
  757    HZ   PHE  93           HZ       PHE  93  -7.533 -11.969  13.203
  758    H    GLU  94           HN       GLU  94 -11.986  -6.221  15.189
  759    HA   GLU  94           HA       GLU  94 -13.094  -3.685  14.294
  760   1HB   GLU  94          HB3       GLU  94 -14.353  -5.246  15.828
  761   2HB   GLU  94          HB2       GLU  94 -13.174  -4.859  17.077
  762   1HG   GLU  94          HG3       GLU  94 -13.801  -2.500  16.940
  763   2HG   GLU  94          HG2       GLU  94 -14.999  -2.895  15.710
  764    H    THR  95           HN       THR  95 -10.612  -4.903  16.489
  765    HA   THR  95           HA       THR  95  -9.852  -2.262  17.336
  766    HB   THR  95           HB       THR  95  -8.165  -4.720  17.697
  767    HG1  THR  95           HG1      THR  95 -10.643  -4.072  18.860
  768   1HG2  THR  95          HG21      THR  95  -8.793  -2.599  19.715
  769   2HG2  THR  95          HG22      THR  95  -7.488  -2.407  18.550
  770   3HG2  THR  95          HG23      THR  95  -7.453  -3.752  19.692
  771    H    SER  96           HN       SER  96  -9.597  -3.631  14.505
  772    HA   SER  96           HA       SER  96  -6.837  -3.030  13.873
  773   1HB   SER  96          HB3       SER  96  -9.125  -3.790  12.034
  774   2HB   SER  96          HB2       SER  96  -7.413  -3.766  11.602
  775    HG   SER  96           HG       SER  96  -7.348  -5.734  12.320
  776    H    GLU  97           HN       GLU  97  -9.372  -1.239  14.596
  777    HA   GLU  97           HA       GLU  97  -9.548   0.744  12.588
  778   1HB   GLU  97          HB2       GLU  97 -11.017   0.219  14.695
  779   2HB   GLU  97          HB3       GLU  97  -9.894   1.290  15.497
  780   1HG   GLU  97          HG2       GLU  97 -11.511   2.075  13.103
  781   2HG   GLU  97          HG3       GLU  97 -12.011   2.343  14.770
  782    H    TYR  98           HN       TYR  98  -7.649   0.505  15.622
  783    HA   TYR  98           HA       TYR  98  -6.289   2.946  15.196
  784   1HB   TYR  98          HB2       TYR  98  -5.881   0.592  16.996
  785   2HB   TYR  98          HB3       TYR  98  -4.633   1.830  16.870
  786    HD1  TYR  98           HD1      TYR  98  -8.354   1.738  17.196
  787    HD2  TYR  98           HD2      TYR  98  -4.674   3.427  18.518
  788    HE1  TYR  98           HE1      TYR  98  -9.587   3.133  18.773
  789    HE2  TYR  98           HE2      TYR  98  -5.899   4.843  20.120
  790    HH   TYR  98           HH       TYR  98  -9.080   4.302  20.982
  791    H    VAL  99           HN       VAL  99  -6.061  -0.059  13.752
  792    HA   VAL  99           HA       VAL  99  -3.268   0.163  12.964
  793    HB   VAL  99           HB       VAL  99  -5.350  -1.716  11.807
  794   1HG1  VAL  99          HG21      VAL  99  -3.167  -1.153  10.596
  795   2HG1  VAL  99          HG22      VAL  99  -2.374  -2.093  11.861
  796   3HG1  VAL  99          HG23      VAL  99  -3.567  -2.856  10.820
  797   1HG2  VAL  99          HG11      VAL  99  -3.722  -1.888  14.309
  798   2HG2  VAL  99          HG12      VAL  99  -5.306  -2.584  13.957
  799   3HG2  VAL  99          HG13      VAL  99  -3.845  -3.345  13.330
  800    H    ARG 100           HN       ARG 100  -6.503   0.744  11.822
  801    HA   ARG 100           HA       ARG 100  -5.944   1.509   9.159
  802   1HB   ARG 100          HB2       ARG 100  -8.243   1.001  10.014
  803   2HB   ARG 100          HB3       ARG 100  -8.176   2.491  10.940
  804   1HG   ARG 100          HG2       ARG 100  -8.270   3.839   9.066
  805   2HG   ARG 100          HG3       ARG 100  -7.653   2.580   8.011
  806   1HD   ARG 100          HD2       ARG 100 -10.238   3.316   8.114
  807   2HD   ARG 100          HD3       ARG 100  -9.643   1.762   7.557
  808    HE   ARG 100           HE       ARG 100 -10.629   0.756   9.354
  809   1HH1  ARG 100          HH12      ARG 100 -11.358   4.366  10.347
  810   2HH1  ARG 100          HH11      ARG 100 -10.300   3.735  11.586
  811   1HH2  ARG 100          HH21      ARG 100 -11.808   0.677  11.378
  812   2HH2  ARG 100          HH22      ARG 100 -12.759   2.102  11.668
  813    H    LYS 101           HN       LYS 101  -6.332   3.315  12.184
  814    HA   LYS 101           HA       LYS 101  -5.801   5.850  11.084
  815   1HB   LYS 101          HB3       LYS 101  -5.712   4.693  13.845
  816   2HB   LYS 101          HB2       LYS 101  -5.102   6.321  13.551
  817   1HG   LYS 101          HG2       LYS 101  -7.207   7.033  12.690
  818   2HG   LYS 101          HG3       LYS 101  -7.849   5.391  12.762
  819   1HD   LYS 101          HD3       LYS 101  -7.887   5.407  15.118
  820   2HD   LYS 101          HD2       LYS 101  -6.842   6.830  15.192
  821   1HE   LYS 101          HE3       LYS 101  -9.083   7.550  15.676
  822   2HE   LYS 101          HE2       LYS 101  -8.656   8.109  14.054
  823   1HZ   LYS 101          HZ1       LYS 101  -9.988   6.551  13.057
  824   2HZ   LYS 101          HZ2       LYS 101 -10.913   7.073  14.373
  825   3HZ   LYS 101          HZ3       LYS 101 -10.100   5.584  14.444
  826    H    ALA 102           HN       ALA 102  -3.665   3.282  12.105
  827    HA   ALA 102           HA       ALA 102  -1.286   4.854  12.217
  828   1HB   ALA 102          HB1       ALA 102  -0.165   2.906  12.710
  829   2HB   ALA 102          HB2       ALA 102  -1.806   2.443  13.182
  830   3HB   ALA 102          HB3       ALA 102  -1.158   1.937  11.621
  831    H    TRP 103           HN       TRP 103  -3.134   3.542   9.694
  832    HA   TRP 103           HA       TRP 103  -0.955   3.715   7.749
  833   1HB   TRP 103          HB3       TRP 103  -3.666   2.458   7.775
  834   2HB   TRP 103          HB2       TRP 103  -3.003   2.947   6.217
  835    HD1  TRP 103           HD1      TRP 103  -1.911   0.747   9.258
  836    HE1  TRP 103           HE1      TRP 103  -0.488  -1.203   8.352
  837    HE3  TRP 103           HE3      TRP 103  -1.821   2.022   4.318
  838    HZ2  TRP 103           HZ2      TRP 103   0.493  -2.106   5.854
  839    HZ3  TRP 103           HZ3      TRP 103  -0.619   0.544   2.721
  840    HH2  TRP 103           HH2      TRP 103   0.519  -1.462   3.491
  841    H    LEU 104           HN       LEU 104  -4.031   5.144   8.687
  842    HA   LEU 104           HA       LEU 104  -4.427   6.875   6.493
  843   1HB   LEU 104          HB2       LEU 104  -5.496   6.538   9.185
  844   2HB   LEU 104          HB3       LEU 104  -5.481   8.211   8.665
  845    HG   LEU 104           HG       LEU 104  -6.580   6.243   6.751
  846   1HD1  LEU 104          HD11      LEU 104  -8.553   7.148   8.718
  847   2HD1  LEU 104          HD12      LEU 104  -8.395   5.598   7.894
  848   3HD1  LEU 104          HD13      LEU 104  -7.418   5.935   9.322
  849   1HD2  LEU 104          HD21      LEU 104  -8.216   8.102   6.463
  850   2HD2  LEU 104          HD22      LEU 104  -7.314   9.022   7.661
  851   3HD2  LEU 104          HD23      LEU 104  -6.544   8.542   6.132
  852    H    ARG 105           HN       ARG 105  -2.455   7.114   9.327
  853    HA   ARG 105           HA       ARG 105  -1.861   9.906   9.118
  854   1HB   ARG 105          HB2       ARG 105  -1.593   8.689  11.220
  855   2HB   ARG 105          HB3       ARG 105  -0.371   7.654  10.490
  856   1HG   ARG 105          HG2       ARG 105   1.064   9.627  10.164
  857   2HG   ARG 105          HG3       ARG 105  -0.157  10.618  10.971
  858   1HD   ARG 105          HD2       ARG 105   1.205   8.235  12.218
  859   2HD   ARG 105          HD3       ARG 105   1.698   9.910  12.465
  860    HE   ARG 105           HE       ARG 105  -0.618   8.595  13.615
  861   1HH1  ARG 105          HH12      ARG 105   1.239  11.755  14.014
  862   2HH1  ARG 105          HH11      ARG 105  -0.134  12.436  13.189
  863   1HH2  ARG 105          HH22      ARG 105  -1.111  10.554  15.836
  864   2HH2  ARG 105          HH21      ARG 105  -2.283  10.916  14.603
  865    H    ASP 106           HN       ASP 106  -0.150   6.926   8.190
  866    HA   ASP 106           HA       ASP 106   2.052   8.177   6.966
  867   1HB   ASP 106          HB3       ASP 106   1.060   5.529   7.418
  868   2HB   ASP 106          HB2       ASP 106   1.595   5.663   5.758
  869    H    ILE 107           HN       ILE 107  -1.134   7.384   5.904
  870    HA   ILE 107           HA       ILE 107  -0.619   7.727   3.095
  871    HB   ILE 107           HB       ILE 107  -2.915   6.984   4.767
  872   1HG1  ILE 107          HG13      ILE 107  -3.385   5.531   2.796
  873   2HG1  ILE 107          HG12      ILE 107  -2.063   6.312   1.937
  874   1HG2  ILE 107          HG21      ILE 107  -4.260   7.606   2.439
  875   2HG2  ILE 107          HG22      ILE 107  -4.402   8.480   3.964
  876   3HG2  ILE 107          HG23      ILE 107  -3.275   9.038   2.732
  877   1HD1  ILE 107          HD11      ILE 107  -1.981   4.363   4.183
  878   2HD1  ILE 107          HD12      ILE 107  -1.040   4.416   2.691
  879   3HD1  ILE 107          HD13      ILE 107  -0.658   5.520   4.008
  880    H    ALA 108           HN       ALA 108  -1.821   9.729   5.734
  881    HA   ALA 108           HA       ALA 108  -2.745  11.863   4.133
  882   1HB   ALA 108          HB1       ALA 108  -3.061  13.043   6.128
  883   2HB   ALA 108          HB2       ALA 108  -3.289  11.355   6.591
  884   3HB   ALA 108          HB3       ALA 108  -1.768  12.173   6.953
  885    H    GLU 109           HN       GLU 109   0.341  10.811   4.927
  886    HA   GLU 109           HA       GLU 109   1.613  12.955   3.547
  887   1HB   GLU 109          HB2       GLU 109   3.223  13.326   5.570
  888   2HB   GLU 109          HB3       GLU 109   1.710  14.216   5.498
  889   1HG   GLU 109          HG3       GLU 109   0.775  13.041   7.219
  890   2HG   GLU 109          HG2       GLU 109   1.798  11.626   6.958
  891    H    GLU 110           HN       GLU 110   2.229  11.227   2.248
  892    HA   GLU 110           HA       GLU 110   3.544   8.889   3.170
  893   1HB   GLU 110          HB2       GLU 110   4.044   8.456   0.804
  894   2HB   GLU 110          HB3       GLU 110   2.374   8.949   1.022
  895   1HG   GLU 110          HG2       GLU 110   4.365  11.040   0.370
  896   2HG   GLU 110          HG3       GLU 110   3.899   9.922  -0.906
  897    H    GLN 111           HN       GLN 111   5.773   8.270   2.289
  898    HA   GLN 111           HA       GLN 111   7.703   9.896   3.548
  899   1HB   GLN 111          HB2       GLN 111   7.637   7.345   3.106
  900   2HB   GLN 111          HB3       GLN 111   8.422   7.760   1.588
  901   1HG   GLN 111          HG3       GLN 111  10.223   8.878   2.869
  902   2HG   GLN 111          HG2       GLN 111   9.455   8.346   4.363
  903   1HE2  GLN 111          HE21      GLN 111  11.875   7.707   2.317
  904   2HE2  GLN 111          HE22      GLN 111  12.069   6.010   2.586
  905    H    GLU 112           HN       GLU 112   6.295  11.127   1.171
  906    HA   GLU 112           HA       GLU 112   8.262  11.495  -0.868
  907   1HB   GLU 112          HB3       GLU 112   6.849  13.272  -1.696
  908   2HB   GLU 112          HB2       GLU 112   5.815  11.949  -1.168
  909   1HG   GLU 112          HG2       GLU 112   5.216  13.093   0.819
  910   2HG   GLU 112          HG3       GLU 112   6.458  14.315   0.553
  911    H    LYS 113           HN       LYS 113   7.718  12.669   2.274
  912    HA   LYS 113           HA       LYS 113   9.218  15.105   2.120
  913   1HB   LYS 113          HB3       LYS 113   8.282  13.410   4.439
  914   2HB   LYS 113          HB2       LYS 113   9.146  14.920   4.644
  915   1HG   LYS 113          HG3       LYS 113   6.849  15.384   4.974
  916   2HG   LYS 113          HG2       LYS 113   7.278  16.052   3.401
  917   1HD   LYS 113          HD3       LYS 113   6.308  14.102   2.309
  918   2HD   LYS 113          HD2       LYS 113   5.904  13.415   3.885
  919   1HE   LYS 113          HE2       LYS 113   3.974  14.438   2.832
  920   2HE   LYS 113          HE3       LYS 113   4.402  15.286   4.317
  921   1HZ   LYS 113          HZ1       LYS 113   5.738  16.519   2.170
  922   2HZ   LYS 113          HZ2       LYS 113   4.521  17.159   3.163
  923   3HZ   LYS 113          HZ3       LYS 113   4.106  16.337   1.742
  924    H    TYR 114           HN       TYR 114  10.694  13.105   0.955
  925    HA   TYR 114           HA       TYR 114  12.461  11.689   2.578
  926   1HB   TYR 114          HB2       TYR 114  12.196  11.230   0.199
  927   2HB   TYR 114          HB3       TYR 114  12.900  12.792  -0.203
  928    HD1  TYR 114           HD1      TYR 114  13.781   9.761   1.791
  929    HD2  TYR 114           HD2      TYR 114  15.110  12.822  -0.843
  930    HE1  TYR 114           HE1      TYR 114  16.037   8.782   1.815
  931    HE2  TYR 114           HE2      TYR 114  17.373  11.832  -0.851
  932    HH   TYR 114           HH       TYR 114  18.586  10.058  -0.296
  933    H    ALA 115           HN       ALA 115  12.605  14.985   1.352
  934    HA   ALA 115           HA       ALA 115  15.156  15.357   2.794
  935   1HB   ALA 115          HB1       ALA 115  13.982  16.645   0.385
  936   2HB   ALA 115          HB2       ALA 115  15.030  17.614   1.409
  937   3HB   ALA 115          HB3       ALA 115  15.636  16.114   0.701
  938    H    ALA 116           HN       ALA 116  12.474  15.300   4.071
  939    HA   ALA 116           HA       ALA 116  12.123  18.089   4.917
  940   1HB   ALA 116          HB1       ALA 116   9.979  17.566   5.121
  941   2HB   ALA 116          HB2       ALA 116  10.339  15.937   4.546
  942   3HB   ALA 116          HB3       ALA 116  10.368  16.269   6.263
  943    H    GLU 117           HN       GLU 117  14.542  16.999   5.698
  944    HA   GLU 117           HA       GLU 117  14.283  15.943   8.363
  945   1HB   GLU 117          HB2       GLU 117  16.595  16.628   6.578
  946   2HB   GLU 117          HB3       GLU 117  16.823  16.120   8.242
  947   1HG   GLU 117          HG3       GLU 117  15.663  14.010   7.749
  948   2HG   GLU 117          HG2       GLU 117  15.427  14.542   6.082
  949    H    ARG 118           HN       ARG 118  12.980  18.132   8.506
  950    HA   ARG 118           HA       ARG 118  14.316  19.743  10.427
  951   1HB   ARG 118          HB3       ARG 118  15.141  20.672   8.152
  952   2HB   ARG 118          HB2       ARG 118  13.480  21.183   7.911
  953   1HG   ARG 118          HG3       ARG 118  14.610  23.066   8.672
  954   2HG   ARG 118          HG2       ARG 118  13.680  22.480  10.051
  955   1HD   ARG 118          HD2       ARG 118  15.941  23.152  10.695
  956   2HD   ARG 118          HD3       ARG 118  15.674  21.437  10.980
  957    HE   ARG 118           HE       ARG 118  16.837  21.712   8.454
  958   1HH1  ARG 118          HH12      ARG 118  18.013  21.976  11.924
  959   2HH1  ARG 118          HH11      ARG 118  19.270  22.941  11.207
  960   1HH2  ARG 118          HH22      ARG 118  19.175  20.549   8.665
  961   2HH2  ARG 118          HH21      ARG 118  19.863  22.141   8.810
  962    H    ASP 119           HN       ASP 119  12.726  21.358  11.251
  963    HA   ASP 119           HA       ASP 119  10.001  20.381  10.798
  964   1HB   ASP 119          HB3       ASP 119  10.968  20.449  13.133
  965   2HB   ASP 119          HB2       ASP 119  10.961  22.208  13.014
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1  15.341   6.818   3.041
    2   2H    MET   1          HT2       MET   1  16.134   7.610   4.348
    3   3H    MET   1          HT3       MET   1  14.431   7.731   4.164
    4    HA   MET   1           HA       MET   1  14.091   5.541   4.727
    5   1HB   MET   1          HB2       MET   1  15.887   4.602   3.369
    6   2HB   MET   1          HB3       MET   1  17.095   5.256   4.458
    7   1HG   MET   1          HG2       MET   1  16.157   3.803   6.257
    8   2HG   MET   1          HG3       MET   1  15.113   3.072   5.037
    9   1HE   MET   1          HE1       MET   1  16.018   0.870   5.948
   10   2HE   MET   1          HE2       MET   1  17.604   0.196   5.596
   11   3HE   MET   1          HE3       MET   1  17.421   1.370   6.893
   12    H    GLY   2           HN       GLY   2  17.110   6.983   5.954
   13   1HA   GLY   2          HA2       GLY   2  17.390   7.988   8.066
   14   2HA   GLY   2          HA1       GLY   2  15.843   7.321   8.570
   15    H    ASP   3           HN       ASP   3  17.079   6.756  10.525
   16    HA   ASP   3           HA       ASP   3  18.922   4.511  10.233
   17   1HB   ASP   3          HB3       ASP   3  19.524   6.264  11.851
   18   2HB   ASP   3          HB2       ASP   3  18.017   6.005  12.716
   19    H    THR   4           HN       THR   4  18.417   2.457  10.694
   20    HA   THR   4           HA       THR   4  15.777   1.880  11.842
   21    HB   THR   4           HB       THR   4  15.753  -0.107  10.231
   22    HG1  THR   4           HG1      THR   4  17.826  -0.144   9.493
   23   1HG2  THR   4          HG21      THR   4  14.599   2.239   9.883
   24   2HG2  THR   4          HG22      THR   4  14.594   0.998   8.628
   25   3HG2  THR   4          HG23      THR   4  15.750   2.329   8.549
   26    H    GLY   5           HN       GLY   5  15.712   0.097  13.207
   27   1HA   GLY   5          HA2       GLY   5  18.247  -0.685  14.325
   28   2HA   GLY   5          HA1       GLY   5  16.656  -1.187  14.883
   29    H    LYS   6           HN       LYS   6  15.692  -2.276  12.452
   30    HA   LYS   6           HA       LYS   6  17.587  -4.480  11.983
   31   1HB   LYS   6          HB3       LYS   6  14.616  -4.756  12.497
   32   2HB   LYS   6          HB2       LYS   6  15.711  -6.075  12.092
   33   1HG   LYS   6          HG3       LYS   6  16.910  -5.761  14.160
   34   2HG   LYS   6          HG2       LYS   6  15.905  -4.362  14.557
   35   1HD   LYS   6          HD3       LYS   6  13.952  -5.737  14.731
   36   2HD   LYS   6          HD2       LYS   6  14.819  -7.140  14.105
   37   1HE   LYS   6          HE2       LYS   6  16.248  -7.144  16.095
   38   2HE   LYS   6          HE3       LYS   6  15.393  -5.728  16.718
   39   1HZ   LYS   6          HZ1       LYS   6  13.677  -7.946  16.027
   40   2HZ   LYS   6          HZ2       LYS   6  13.690  -6.967  17.412
   41   3HZ   LYS   6          HZ3       LYS   6  14.761  -8.282  17.291
   42    H    LEU   7           HN       LEU   7  14.267  -4.017  10.872
   43    HA   LEU   7           HA       LEU   7  15.213  -4.134   8.109
   44   1HB   LEU   7          HB2       LEU   7  12.565  -4.649   9.425
   45   2HB   LEU   7          HB3       LEU   7  12.640  -4.322   7.709
   46    HG   LEU   7           HG       LEU   7  12.512  -6.678   8.047
   47   1HD1  LEU   7          HD21      LEU   7  15.130  -7.099   7.308
   48   2HD1  LEU   7          HD22      LEU   7  13.794  -6.703   6.228
   49   3HD1  LEU   7          HD23      LEU   7  14.839  -5.423   6.845
   50   1HD2  LEU   7          HD11      LEU   7  13.250  -7.281  10.114
   51   2HD2  LEU   7          HD12      LEU   7  14.680  -7.699   9.169
   52   3HD2  LEU   7          HD13      LEU   7  14.628  -6.184  10.063
   53    H    GLY   8           HN       GLY   8  14.544  -2.638   6.544
   54   1HA   GLY   8          HA1       GLY   8  14.064   0.039   7.614
   55   2HA   GLY   8          HA2       GLY   8  14.553  -0.365   5.970
   56    H    ARG   9           HN       ARG   9  11.873  -1.589   7.926
   57    HA   ARG   9           HA       ARG   9  10.092  -1.359   5.722
   58   1HB   ARG   9          HB3       ARG   9   9.558  -2.080   8.608
   59   2HB   ARG   9          HB2       ARG   9   8.406  -2.244   7.289
   60   1HG   ARG   9          HG2       ARG   9  10.045  -3.722   6.132
   61   2HG   ARG   9          HG3       ARG   9  11.040  -3.671   7.570
   62   1HD   ARG   9          HD3       ARG   9   9.620  -4.993   8.774
   63   2HD   ARG   9          HD2       ARG   9   8.199  -4.474   7.867
   64    HE   ARG   9           HE       ARG   9   9.756  -5.860   6.062
   65   1HH1  ARG   9          HH11      ARG   9   8.038  -6.978   9.155
   66   2HH1  ARG   9          HH12      ARG   9   9.505  -7.914   9.080
   67   1HH2  ARG   9          HH22      ARG   9   9.887  -8.501   6.215
   68   2HH2  ARG   9          HH21      ARG   9   8.169  -8.452   5.939
   69    H    ILE  10           HN       ILE  10  10.368   0.841   5.309
   70    HA   ILE  10           HA       ILE  10   9.498   2.915   7.036
   71    HB   ILE  10           HB       ILE  10  10.976   3.345   5.153
   72   1HG1  ILE  10          HG13      ILE  10   9.864   5.356   4.225
   73   2HG1  ILE  10          HG12      ILE  10   8.344   4.807   4.926
   74   1HG2  ILE  10          HG21      ILE  10   9.890   3.523   2.839
   75   2HG2  ILE  10          HG22      ILE  10  10.363   1.934   3.419
   76   3HG2  ILE  10          HG23      ILE  10   8.673   2.424   3.479
   77   1HD1  ILE  10          HD11      ILE  10  10.732   5.964   6.239
   78   2HD1  ILE  10          HD12      ILE  10   9.021   6.248   6.543
   79   3HD1  ILE  10          HD13      ILE  10   9.785   4.774   7.130
   80    H    ILE  11           HN       ILE  11   7.523   4.102   6.967
   81    HA   ILE  11           HA       ILE  11   5.291   4.337   6.978
   82    HB   ILE  11           HB       ILE  11   5.207   2.544   4.524
   83   1HG1  ILE  11          HG13      ILE  11   5.419   5.563   4.700
   84   2HG1  ILE  11          HG12      ILE  11   6.663   4.465   4.103
   85   1HG2  ILE  11          HG21      ILE  11   3.008   2.875   4.484
   86   2HG2  ILE  11          HG22      ILE  11   3.146   3.602   6.084
   87   3HG2  ILE  11          HG23      ILE  11   3.218   4.623   4.645
   88   1HD1  ILE  11          HD11      ILE  11   4.086   5.258   2.844
   89   2HD1  ILE  11          HD12      ILE  11   5.718   5.259   2.175
   90   3HD1  ILE  11          HD13      ILE  11   4.863   3.732   2.415
   91    H    ARG  12           HN       ARG  12   4.164   1.481   5.634
   92    HA   ARG  12           HA       ARG  12   4.577  -0.296   7.831
   93   1HB   ARG  12          HB2       ARG  12   2.739   1.556   8.461
   94   2HB   ARG  12          HB3       ARG  12   1.701   0.407   7.624
   95   1HG   ARG  12          HG3       ARG  12   1.626  -0.053   9.956
   96   2HG   ARG  12          HG2       ARG  12   2.486  -1.355   9.165
   97   1HD   ARG  12          HD3       ARG  12   4.627  -0.334   9.806
   98   2HD   ARG  12          HD2       ARG  12   3.748   0.951  10.637
   99    HE   ARG  12           HE       ARG  12   2.926  -1.561  11.638
  100   1HH1  ARG  12          HH12      ARG  12   5.145   1.082  12.639
  101   2HH1  ARG  12          HH11      ARG  12   6.365  -0.047  12.156
  102   1HH2  ARG  12          HH22      ARG  12   3.546  -1.701  14.069
  103   2HH2  ARG  12          HH21      ARG  12   5.171  -2.274  13.839
  104    H    HIS  13           HN       HIS  13   2.933  -2.152   7.689
  105    HA   HIS  13           HA       HIS  13   2.273  -2.739   4.898
  106   1HB   HIS  13          HB2       HIS  13   2.932  -5.094   5.301
  107   2HB   HIS  13          HB3       HIS  13   4.296  -4.010   5.481
  108    HD1  HIS  13           HD1      HIS  13   4.961  -3.466   8.091
  109    HD2  HIS  13           HD2      HIS  13   2.521  -6.771   7.384
  110    HE1  HIS  13           HE1      HIS  13   5.064  -4.868  10.184
  111    HE2  HIS  13           HE2      HIS  13   3.694  -6.916   9.682
  112    H    ASP  14           HN       ASP  14   0.145  -3.212   4.687
  113    HA   ASP  14           HA       ASP  14  -1.277  -4.062   7.126
  114   1HB   ASP  14          HB3       ASP  14  -1.610  -1.643   6.170
  115   2HB   ASP  14          HB2       ASP  14  -2.649  -2.451   5.003
  116    H    ALA  15           HN       ALA  15  -3.751  -4.591   6.065
  117    HA   ALA  15           HA       ALA  15  -3.462  -6.379   3.792
  118   1HB   ALA  15          HB1       ALA  15  -3.528  -8.342   4.864
  119   2HB   ALA  15          HB2       ALA  15  -3.065  -7.429   6.308
  120   3HB   ALA  15          HB3       ALA  15  -4.766  -7.771   5.990
  121    H    PHE  16           HN       PHE  16  -5.268  -6.332   2.610
  122    HA   PHE  16           HA       PHE  16  -7.855  -5.731   3.875
  123   1HB   PHE  16          HB2       PHE  16  -6.715  -4.259   1.476
  124   2HB   PHE  16          HB3       PHE  16  -8.371  -4.123   2.054
  125    HD1  PHE  16           HD1      PHE  16  -8.575  -3.496   4.604
  126    HD2  PHE  16           HD2      PHE  16  -5.203  -2.670   2.143
  127    HE1  PHE  16           HE1      PHE  16  -7.909  -1.693   6.138
  128    HE2  PHE  16           HE2      PHE  16  -4.542  -0.853   3.668
  129    HZ   PHE  16           HZ       PHE  16  -5.892  -0.361   5.669
  130    H    GLN  17           HN       GLN  17  -9.648  -6.302   2.535
  131    HA   GLN  17           HA       GLN  17  -9.094  -7.979   0.207
  132   1HB   GLN  17          HB3       GLN  17  -9.335  -9.498   2.194
  133   2HB   GLN  17          HB2       GLN  17 -10.956  -8.844   2.434
  134   1HG   GLN  17          HG2       GLN  17 -11.682  -9.702   0.326
  135   2HG   GLN  17          HG3       GLN  17 -10.048 -10.211  -0.082
  136   1HE2  GLN  17          HE21      GLN  17  -9.719 -12.266   0.115
  137   2HE2  GLN  17          HE22      GLN  17 -10.394 -13.317   1.326
  138    H    VAL  18           HN       VAL  18  -9.750  -5.929  -0.647
  139    HA   VAL  18           HA       VAL  18 -12.666  -5.695  -0.828
  140    HB   VAL  18           HB       VAL  18 -12.180  -3.134  -0.871
  141   1HG1  VAL  18          HG21      VAL  18 -13.311  -3.196   1.046
  142   2HG1  VAL  18          HG22      VAL  18 -13.063  -4.942   1.067
  143   3HG1  VAL  18          HG23      VAL  18 -11.931  -3.881   1.902
  144   1HG2  VAL  18          HG11      VAL  18 -10.203  -2.397  -0.114
  145   2HG2  VAL  18          HG12      VAL  18 -10.136  -3.608   1.160
  146   3HG2  VAL  18          HG13      VAL  18  -9.622  -4.026  -0.476
  147    H    TRP  19           HN       TRP  19 -13.353  -4.318  -2.497
  148    HA   TRP  19           HA       TRP  19 -12.676  -5.093  -4.995
  149   1HB   TRP  19          HB2       TRP  19 -13.837  -2.383  -4.419
  150   2HB   TRP  19          HB3       TRP  19 -14.231  -3.495  -5.731
  151    HD1  TRP  19           HD1      TRP  19 -15.902  -5.495  -5.184
  152    HE1  TRP  19           HE1      TRP  19 -17.520  -5.941  -3.243
  153    HE3  TRP  19           HE3      TRP  19 -14.053  -2.129  -1.796
  154    HZ2  TRP  19           HZ2      TRP  19 -17.937  -5.021  -0.619
  155    HZ3  TRP  19           HZ3      TRP  19 -15.119  -1.995   0.411
  156    HH2  TRP  19           HH2      TRP  19 -17.017  -3.417   0.986
  157    H    GLU  20           HN       GLU  20 -10.780  -4.989  -5.862
  158    HA   GLU  20           HA       GLU  20  -9.298  -2.455  -5.918
  159   1HB   GLU  20          HB2       GLU  20  -8.380  -5.299  -6.287
  160   2HB   GLU  20          HB3       GLU  20  -7.371  -3.912  -6.680
  161   1HG   GLU  20          HG2       GLU  20  -6.729  -3.774  -4.570
  162   2HG   GLU  20          HG3       GLU  20  -8.403  -3.533  -4.067
  163    H    GLY  21           HN       GLY  21  -9.169  -1.370  -7.760
  164   1HA   GLY  21          HA2       GLY  21  -9.523  -0.791  -9.945
  165   2HA   GLY  21          HA1       GLY  21  -8.886  -2.389 -10.315
  166    H    ASP  22           HN       ASP  22 -10.167  -3.202 -11.785
  167    HA   ASP  22           HA       ASP  22 -13.069  -3.141 -11.290
  168   1HB   ASP  22          HB2       ASP  22 -12.199  -2.020 -13.424
  169   2HB   ASP  22          HB3       ASP  22 -11.763  -3.637 -13.973
  170    H    GLU  23           HN       GLU  23 -11.119  -4.820 -10.104
  171    HA   GLU  23           HA       GLU  23 -11.739  -7.445 -11.283
  172   1HB   GLU  23          HB2       GLU  23  -9.564  -6.747  -9.292
  173   2HB   GLU  23          HB3       GLU  23  -9.795  -8.294 -10.101
  174   1HG   GLU  23          HG3       GLU  23  -9.289  -5.793 -11.657
  175   2HG   GLU  23          HG2       GLU  23  -7.966  -6.712 -10.951
  176    HA   PRO  24           HA       PRO  24 -14.270  -8.538  -7.803
  177   1HB   PRO  24          HB3       PRO  24 -12.832 -11.077  -7.448
  178   2HB   PRO  24          HB2       PRO  24 -14.515 -10.802  -7.898
  179   1HG   PRO  24          HG3       PRO  24 -12.685 -11.727  -9.655
  180   2HG   PRO  24          HG2       PRO  24 -14.043 -10.692 -10.146
  181   1HD   PRO  24          HD2       PRO  24 -11.169  -9.990  -9.751
  182   2HD   PRO  24          HD3       PRO  24 -12.325  -9.388 -10.956
  183    HA   PRO  25           HA       PRO  25 -12.029  -7.255  -4.235
  184   1HB   PRO  25          HB3       PRO  25 -13.577  -8.695  -2.377
  185   2HB   PRO  25          HB2       PRO  25 -13.805  -7.031  -2.893
  186   1HG   PRO  25          HG2       PRO  25 -15.194  -9.499  -3.780
  187   2HG   PRO  25          HG3       PRO  25 -15.807  -7.842  -3.673
  188   1HD   PRO  25          HD2       PRO  25 -15.182  -9.000  -6.020
  189   2HD   PRO  25          HD3       PRO  25 -14.952  -7.263  -5.736
  190    H    LYS  26           HN       LYS  26 -10.124  -8.024  -3.973
  191    HA   LYS  26           HA       LYS  26  -9.740 -10.848  -3.299
  192   1HB   LYS  26          HB2       LYS  26  -8.039  -9.000  -4.886
  193   2HB   LYS  26          HB3       LYS  26  -7.461 -10.530  -4.283
  194   1HG   LYS  26          HG3       LYS  26  -9.157 -11.694  -5.542
  195   2HG   LYS  26          HG2       LYS  26  -9.827 -10.158  -6.086
  196   1HD   LYS  26          HD2       LYS  26  -7.626  -9.664  -7.149
  197   2HD   LYS  26          HD3       LYS  26  -7.111 -11.290  -6.716
  198   1HE   LYS  26          HE3       LYS  26  -9.516 -10.671  -8.425
  199   2HE   LYS  26          HE2       LYS  26  -7.928 -11.099  -9.054
  200   1HZ   LYS  26          HZ1       LYS  26  -9.421 -13.022  -8.958
  201   2HZ   LYS  26          HZ2       LYS  26  -9.577 -12.836  -7.283
  202   3HZ   LYS  26          HZ3       LYS  26  -8.078 -13.240  -7.955
  203    H    LEU  27           HN       LEU  27  -8.106 -11.430  -1.839
  204    HA   LEU  27           HA       LEU  27  -7.779  -9.524   0.281
  205   1HB   LEU  27          HB3       LEU  27  -7.925 -12.238   0.182
  206   2HB   LEU  27          HB2       LEU  27  -6.196 -12.006   0.333
  207    HG   LEU  27           HG       LEU  27  -8.272 -10.937   2.246
  208   1HD1  LEU  27          HD11      LEU  27  -7.762 -12.661   3.695
  209   2HD1  LEU  27          HD12      LEU  27  -7.753 -13.472   2.126
  210   3HD1  LEU  27          HD13      LEU  27  -6.226 -13.023   2.891
  211   1HD2  LEU  27          HD21      LEU  27  -5.267 -10.905   2.481
  212   2HD2  LEU  27          HD22      LEU  27  -6.246  -9.514   2.033
  213   3HD2  LEU  27          HD23      LEU  27  -6.430 -10.241   3.632
  214    H    ARG  28           HN       ARG  28  -6.505  -7.891  -0.862
  215    HA   ARG  28           HA       ARG  28  -3.825  -8.720  -1.649
  216   1HB   ARG  28          HB2       ARG  28  -5.413  -6.217  -1.981
  217   2HB   ARG  28          HB3       ARG  28  -3.663  -6.139  -2.081
  218   1HG   ARG  28          HG2       ARG  28  -3.740  -7.864  -3.875
  219   2HG   ARG  28          HG3       ARG  28  -5.501  -7.766  -3.831
  220   1HD   ARG  28          HD2       ARG  28  -5.462  -5.478  -4.524
  221   2HD   ARG  28          HD3       ARG  28  -3.714  -5.391  -4.327
  222    HE   ARG  28           HE       ARG  28  -3.488  -6.213  -6.432
  223   1HH1  ARG  28          HH11      ARG  28  -6.899  -7.061  -5.528
  224   2HH1  ARG  28          HH12      ARG  28  -6.579  -8.516  -6.424
  225   1HH2  ARG  28          HH22      ARG  28  -4.273  -7.985  -8.222
  226   2HH2  ARG  28          HH21      ARG  28  -5.249  -6.647  -8.764
  227    H    TYR  29           HN       TYR  29  -2.239  -8.771  -0.227
  228    HA   TYR  29           HA       TYR  29  -2.429  -7.329   2.272
  229   1HB   TYR  29          HB2       TYR  29  -0.360  -9.178   1.078
  230   2HB   TYR  29          HB3       TYR  29  -0.018  -8.258   2.531
  231    HD1  TYR  29           HD1      TYR  29  -2.743 -10.469   1.213
  232    HD2  TYR  29           HD2      TYR  29  -0.310  -9.355   4.522
  233    HE1  TYR  29           HE1      TYR  29  -3.782 -12.242   2.568
  234    HE2  TYR  29           HE2      TYR  29  -1.368 -11.093   5.898
  235    HH   TYR  29           HH       TYR  29  -3.231 -13.595   4.610
  236    H    VAL  30           HN       VAL  30  -2.375  -5.167   1.802
  237    HA   VAL  30           HA       VAL  30  -0.447  -4.189  -0.078
  238    HB   VAL  30           HB       VAL  30  -2.577  -3.175  -0.259
  239   1HG1  VAL  30          HG11      VAL  30  -2.332  -2.513   2.650
  240   2HG1  VAL  30          HG12      VAL  30  -3.513  -1.767   1.554
  241   3HG1  VAL  30          HG13      VAL  30  -3.552  -3.514   1.840
  242   1HG2  VAL  30          HG21      VAL  30  -0.485  -1.783  -0.508
  243   2HG2  VAL  30          HG22      VAL  30  -1.979  -0.884  -0.241
  244   3HG2  VAL  30          HG23      VAL  30  -0.834  -1.118   1.089
  245    H    PHE  31           HN       PHE  31   1.523  -3.880   0.395
  246    HA   PHE  31           HA       PHE  31   2.312  -2.764   3.013
  247   1HB   PHE  31          HB3       PHE  31   4.280  -3.926   1.058
  248   2HB   PHE  31          HB2       PHE  31   4.396  -3.834   2.808
  249    HD1  PHE  31           HD1      PHE  31   2.278  -5.235   3.931
  250    HD2  PHE  31           HD2      PHE  31   4.266  -6.006   0.251
  251    HE1  PHE  31           HE1      PHE  31   1.672  -7.613   4.104
  252    HE2  PHE  31           HE2      PHE  31   3.652  -8.379   0.411
  253    HZ   PHE  31           HZ       PHE  31   2.348  -9.184   2.332
  254    H    LEU  32           HN       LEU  32   3.160  -0.657   2.931
  255    HA   LEU  32           HA       LEU  32   3.782   0.318   0.223
  256   1HB   LEU  32          HB2       LEU  32   2.819   2.024   2.510
  257   2HB   LEU  32          HB3       LEU  32   3.162   2.542   0.864
  258    HG   LEU  32           HG       LEU  32   0.845   0.926   1.842
  259   1HD1  LEU  32          HD11      LEU  32   0.459   3.065  -0.083
  260   2HD1  LEU  32          HD12      LEU  32  -0.300   2.813   1.505
  261   3HD1  LEU  32          HD13      LEU  32   1.272   3.622   1.394
  262   1HD2  LEU  32          HD21      LEU  32   1.578  -0.261  -0.066
  263   2HD2  LEU  32          HD22      LEU  32   0.253   0.781  -0.593
  264   3HD2  LEU  32          HD23      LEU  32   1.923   1.228  -0.939
  265    H    PHE  33           HN       PHE  33   5.576   1.522  -0.089
  266    HA   PHE  33           HA       PHE  33   7.345   2.026   2.194
  267   1HB   PHE  33          HB2       PHE  33   8.089   0.718  -0.440
  268   2HB   PHE  33          HB3       PHE  33   9.283   1.437   0.627
  269    HD1  PHE  33           HD1      PHE  33   6.563  -1.118   0.620
  270    HD2  PHE  33           HD2      PHE  33  10.306   0.109   2.249
  271    HE1  PHE  33           HE1      PHE  33   6.712  -3.223   1.879
  272    HE2  PHE  33           HE2      PHE  33  10.455  -2.009   3.483
  273    HZ   PHE  33           HZ       PHE  33   8.656  -3.665   3.304
  274    H    ARG  34           HN       ARG  34   8.652   3.883   1.882
  275    HA   ARG  34           HA       ARG  34   7.395   5.944   0.418
  276   1HB   ARG  34          HB3       ARG  34   8.725   6.198   2.530
  277   2HB   ARG  34          HB2       ARG  34  10.181   5.953   1.573
  278   1HG   ARG  34          HG3       ARG  34  10.215   8.082   0.962
  279   2HG   ARG  34          HG2       ARG  34   8.548   7.992   0.383
  280   1HD   ARG  34          HD3       ARG  34   9.374   8.432   3.252
  281   2HD   ARG  34          HD2       ARG  34   8.833   9.687   2.136
  282    HE   ARG  34           HE       ARG  34   6.780   7.981   2.037
  283   1HH1  ARG  34          HH11      ARG  34   8.455   8.814   5.129
  284   2HH1  ARG  34          HH12      ARG  34   7.173   9.947   5.416
  285   1HH2  ARG  34          HH21      ARG  34   4.856   8.831   3.610
  286   2HH2  ARG  34          HH22      ARG  34   5.276   7.911   5.021
  287    H    ASN  35           HN       ASN  35   7.313   5.148  -1.665
  288    HA   ASN  35           HA       ASN  35   9.151   6.135  -3.484
  289   1HB   ASN  35          HB2       ASN  35  10.576   4.240  -2.595
  290   2HB   ASN  35          HB3       ASN  35   9.370   3.125  -3.240
  291   1HD2  ASN  35          HD21      ASN  35  12.130   4.889  -3.875
  292   2HD2  ASN  35          HD22      ASN  35  12.072   4.959  -5.594
  293    H    LYS  36           HN       LYS  36   6.755   3.672  -2.675
  294    HA   LYS  36           HA       LYS  36   4.860   4.497  -4.506
  295   1HB   LYS  36          HB3       LYS  36   4.979   2.890  -6.293
  296   2HB   LYS  36          HB2       LYS  36   6.555   3.654  -6.175
  297   1HG   LYS  36          HG3       LYS  36   7.447   1.719  -5.008
  298   2HG   LYS  36          HG2       LYS  36   5.857   0.951  -5.036
  299   1HD   LYS  36          HD3       LYS  36   7.344   0.093  -6.796
  300   2HD   LYS  36          HD2       LYS  36   5.900   0.875  -7.456
  301   1HE   LYS  36          HE3       LYS  36   7.245   2.941  -7.765
  302   2HE   LYS  36          HE2       LYS  36   8.672   2.038  -7.263
  303   1HZ   LYS  36          HZ1       LYS  36   8.362   0.542  -9.131
  304   2HZ   LYS  36          HZ2       LYS  36   8.427   2.146  -9.695
  305   3HZ   LYS  36          HZ3       LYS  36   6.938   1.350  -9.581
  306    H    ILE  37           HN       ILE  37   3.548   2.155  -5.093
  307    HA   ILE  37           HA       ILE  37   3.041   1.027  -2.403
  308    HB   ILE  37           HB       ILE  37   1.286   1.178  -4.857
  309   1HG1  ILE  37          HG13      ILE  37   1.159   2.453  -2.127
  310   2HG1  ILE  37          HG12      ILE  37   1.329   3.260  -3.680
  311   1HG2  ILE  37          HG21      ILE  37   1.152  -0.988  -3.451
  312   2HG2  ILE  37          HG22      ILE  37   0.358   0.035  -2.249
  313   3HG2  ILE  37          HG23      ILE  37  -0.338  -0.148  -3.861
  314   1HD1  ILE  37          HD11      ILE  37  -1.087   2.166  -2.360
  315   2HD1  ILE  37          HD12      ILE  37  -0.869   3.662  -3.267
  316   3HD1  ILE  37          HD13      ILE  37  -1.024   2.123  -4.115
  317    H    MET  38           HN       MET  38   3.722  -1.016  -2.078
  318    HA   MET  38           HA       MET  38   4.099  -2.763  -4.426
  319   1HB   MET  38          HB2       MET  38   5.898  -2.480  -2.011
  320   2HB   MET  38          HB3       MET  38   6.086  -3.693  -3.271
  321   1HG   MET  38          HG3       MET  38   6.673  -2.082  -4.882
  322   2HG   MET  38          HG2       MET  38   6.059  -0.755  -3.899
  323   1HE   MET  38          HE1       MET  38   9.053  -3.280  -4.463
  324   2HE   MET  38          HE2       MET  38   9.893  -3.124  -2.920
  325   3HE   MET  38          HE3       MET  38   8.269  -3.821  -2.977
  326    H    PHE  39           HN       PHE  39   1.858  -3.366  -3.680
  327    HA   PHE  39           HA       PHE  39   1.891  -5.086  -1.327
  328   1HB   PHE  39          HB2       PHE  39  -0.559  -5.104  -1.517
  329   2HB   PHE  39          HB3       PHE  39   0.101  -3.488  -1.391
  330    HD1  PHE  39           HD1      PHE  39  -2.456  -3.260  -2.070
  331    HD2  PHE  39           HD2      PHE  39   0.690  -4.486  -4.700
  332    HE1  PHE  39           HE1      PHE  39  -3.803  -2.568  -4.030
  333    HE2  PHE  39           HE2      PHE  39  -0.657  -3.810  -6.638
  334    HZ   PHE  39           HZ       PHE  39  -2.903  -2.855  -6.308
  335    H    THR  40           HN       THR  40   0.725  -7.158  -1.374
  336    HA   THR  40           HA       THR  40   1.166  -8.568  -3.932
  337    HB   THR  40           HB       THR  40   1.468 -10.614  -2.430
  338    HG1  THR  40           HG1      THR  40   2.032  -8.666  -0.458
  339   1HG2  THR  40          HG21      THR  40   3.534  -8.455  -2.144
  340   2HG2  THR  40          HG22      THR  40   3.370  -9.540  -3.525
  341   3HG2  THR  40          HG23      THR  40   3.777 -10.188  -1.922
  342    H    GLU  41           HN       GLU  41  -0.586  -9.438  -4.831
  343    HA   GLU  41           HA       GLU  41  -3.079  -9.382  -3.392
  344   1HB   GLU  41          HB3       GLU  41  -4.039 -10.166  -5.584
  345   2HB   GLU  41          HB2       GLU  41  -3.188  -8.630  -5.636
  346   1HG   GLU  41          HG3       GLU  41  -1.252  -9.693  -6.614
  347   2HG   GLU  41          HG2       GLU  41  -2.047 -11.267  -6.523
  348    H    GLN  42           HN       GLN  42  -1.960 -11.015  -1.888
  349    HA   GLN  42           HA       GLN  42  -1.964 -13.783  -2.705
  350   1HB   GLN  42          HB2       GLN  42  -1.896 -12.562   0.062
  351   2HB   GLN  42          HB3       GLN  42  -1.529 -14.232  -0.331
  352   1HG   GLN  42          HG3       GLN  42   0.408 -13.503  -1.632
  353   2HG   GLN  42          HG2       GLN  42   0.031 -11.826  -1.244
  354   1HE2  GLN  42          HE21      GLN  42   1.312 -11.051   0.243
  355   2HE2  GLN  42          HE22      GLN  42   1.734 -11.848   1.724
  356    H    ASP  43           HN       ASP  43  -4.131 -13.952  -3.532
  357    HA   ASP  43           HA       ASP  43  -6.265 -13.589  -1.600
  358   1HB   ASP  43          HB3       ASP  43  -6.495 -12.765  -3.962
  359   2HB   ASP  43          HB2       ASP  43  -6.538 -14.445  -4.479
  360    H    ALA  44           HN       ALA  44  -7.947 -15.117  -1.409
  361    HA   ALA  44           HA       ALA  44  -7.364 -17.895  -1.945
  362   1HB   ALA  44          HB1       ALA  44  -7.741 -18.532   0.442
  363   2HB   ALA  44          HB2       ALA  44  -6.225 -17.682   0.151
  364   3HB   ALA  44          HB3       ALA  44  -7.594 -16.828   0.868
  365    H    SER  45           HN       SER  45  -9.386 -15.343  -1.863
  366    HA   SER  45           HA       SER  45 -11.795 -16.819  -1.152
  367   1HB   SER  45          HB2       SER  45 -11.408 -14.473  -0.357
  368   2HB   SER  45          HB3       SER  45 -11.549 -13.939  -2.034
  369    HG   SER  45           HG       SER  45 -13.501 -14.968  -0.299
  370    H    THR  46           HN       THR  46 -10.549 -14.957  -3.964
  371    HA   THR  46           HA       THR  46 -12.517 -16.412  -5.603
  372    HB   THR  46           HB       THR  46 -12.268 -14.612  -7.237
  373    HG1  THR  46           HG1      THR  46 -10.187 -13.845  -5.525
  374   1HG2  THR  46          HG21      THR  46 -13.845 -14.382  -5.261
  375   2HG2  THR  46          HG22      THR  46 -13.414 -12.911  -6.132
  376   3HG2  THR  46          HG23      THR  46 -12.647 -13.277  -4.584
  377    H    SER  47           HN       SER  47  -9.154 -15.850  -5.121
  378    HA   SER  47           HA       SER  47  -8.530 -17.707  -7.324
  379   1HB   SER  47          HB2       SER  47  -6.808 -15.377  -6.432
  380   2HB   SER  47          HB3       SER  47  -6.460 -16.498  -7.744
  381    HG   SER  47           HG       SER  47  -8.364 -15.728  -8.789
  382    HA   PRO  48           HA       PRO  48  -7.585 -19.784  -3.289
  383   1HB   PRO  48          HB2       PRO  48  -7.104 -21.830  -5.412
  384   2HB   PRO  48          HB3       PRO  48  -7.851 -22.013  -3.832
  385   1HG   PRO  48          HG2       PRO  48  -9.355 -21.828  -6.015
  386   2HG   PRO  48          HG3       PRO  48  -9.843 -21.027  -4.508
  387   1HD   PRO  48          HD3       PRO  48  -8.763 -19.852  -7.007
  388   2HD   PRO  48          HD2       PRO  48  -9.860 -19.148  -5.828
  389    HA   PRO  49           HA       PRO  49  -3.126 -20.899  -4.570
  390   1HB   PRO  49          HB2       PRO  49  -2.145 -20.401  -7.017
  391   2HB   PRO  49          HB3       PRO  49  -3.091 -21.851  -6.657
  392   1HG   PRO  49          HG3       PRO  49  -3.961 -19.301  -7.952
  393   2HG   PRO  49          HG2       PRO  49  -4.325 -20.969  -8.419
  394   1HD   PRO  49          HD3       PRO  49  -6.049 -19.386  -7.000
  395   2HD   PRO  49          HD2       PRO  49  -6.023 -21.156  -6.868
  396    H    SER  50           HN       SER  50  -4.515 -17.939  -4.706
  397    HA   SER  50           HA       SER  50  -3.852 -15.794  -4.442
  398   1HB   SER  50          HB3       SER  50  -1.919 -15.435  -2.966
  399   2HB   SER  50          HB2       SER  50  -2.944 -16.749  -2.383
  400    HG   SER  50           HG       SER  50  -1.261 -17.997  -3.817
  401    H    TYR  51           HN       TYR  51  -1.252 -14.598  -4.450
  402    HA   TYR  51           HA       TYR  51  -0.153 -15.209  -7.069
  403   1HB   TYR  51          HB2       TYR  51  -1.962 -13.454  -7.371
  404   2HB   TYR  51          HB3       TYR  51  -0.957 -12.369  -6.421
  405    HD1  TYR  51           HD1      TYR  51  -0.578 -14.660  -9.374
  406    HD2  TYR  51           HD2      TYR  51   0.377 -10.906  -7.605
  407    HE1  TYR  51           HE1      TYR  51   0.653 -14.018 -11.410
  408    HE2  TYR  51           HE2      TYR  51   1.599 -10.254  -9.636
  409    HH   TYR  51           HH       TYR  51   1.239 -11.436 -12.455
  410    H    THR  52           HN       THR  52   1.814 -13.698  -7.449
  411    HA   THR  52           HA       THR  52   3.350 -13.751  -4.973
  412    HB   THR  52           HB       THR  52   4.159 -15.099  -6.842
  413    HG1  THR  52           HG1      THR  52   6.208 -14.556  -6.607
  414   1HG2  THR  52          HG21      THR  52   5.069 -14.107  -8.843
  415   2HG2  THR  52          HG22      THR  52   4.517 -12.517  -8.327
  416   3HG2  THR  52          HG23      THR  52   3.343 -13.781  -8.706
  417    H    HIS  53           HN       HIS  53   5.418 -12.073  -5.550
  418    HA   HIS  53           HA       HIS  53   4.177  -9.511  -5.064
  419   1HB   HIS  53          HB2       HIS  53   6.043 -10.242  -3.684
  420   2HB   HIS  53          HB3       HIS  53   7.077 -10.365  -5.097
  421    HD1  HIS  53           HD1      HIS  53   4.969  -7.467  -3.738
  422    HD2  HIS  53           HD2      HIS  53   8.851  -8.357  -4.915
  423    HE1  HIS  53           HE1      HIS  53   6.257  -5.313  -3.504
  424    HE2  HIS  53           HE2      HIS  53   8.641  -5.935  -4.042
  425    H    TYR  54           HN       TYR  54   3.281  -9.460  -7.348
  426    HA   TYR  54           HA       TYR  54   5.224  -8.068  -9.070
  427   1HB   TYR  54          HB3       TYR  54   3.367 -10.293  -9.850
  428   2HB   TYR  54          HB2       TYR  54   3.750  -9.051 -11.029
  429    HD1  TYR  54           HD1      TYR  54   5.614 -11.186  -8.586
  430    HD2  TYR  54           HD2      TYR  54   5.433  -9.580 -12.515
  431    HE1  TYR  54           HE1      TYR  54   7.688 -12.350  -9.147
  432    HE2  TYR  54           HE2      TYR  54   7.510 -10.770 -13.098
  433    HH   TYR  54           HH       TYR  54   9.199 -12.773 -10.653
  434    H    SER  55           HN       SER  55   2.884  -7.463  -7.173
  435    HA   SER  55           HA       SER  55   1.267  -5.860  -9.003
  436   1HB   SER  55          HB2       SER  55   0.564  -7.500  -6.871
  437   2HB   SER  55          HB3       SER  55   0.434  -5.873  -6.204
  438    HG   SER  55           HG       SER  55  -0.773  -6.774  -8.615
  439    H    SER  56           HN       SER  56   1.504  -3.662  -9.051
  440    HA   SER  56           HA       SER  56   2.673  -2.279  -6.769
  441   1HB   SER  56          HB2       SER  56   3.970  -2.113  -9.502
  442   2HB   SER  56          HB3       SER  56   4.489  -1.271  -8.042
  443    HG   SER  56           HG       SER  56   4.316  -3.916  -7.568
  444    H    ILE  57           HN       ILE  57   2.419  -0.061  -6.770
  445    HA   ILE  57           HA       ILE  57   0.778   1.145  -8.876
  446    HB   ILE  57           HB       ILE  57   0.068   0.921  -5.971
  447   1HG1  ILE  57          HG13      ILE  57  -0.880  -0.460  -7.960
  448   2HG1  ILE  57          HG12      ILE  57  -1.985   0.156  -6.734
  449   1HG2  ILE  57          HG21      ILE  57  -1.646   2.843  -7.103
  450   2HG2  ILE  57          HG22      ILE  57  -0.512   3.044  -5.767
  451   3HG2  ILE  57          HG23      ILE  57   0.002   3.375  -7.427
  452   1HD1  ILE  57          HD11      ILE  57  -3.035   1.505  -8.184
  453   2HD1  ILE  57          HD12      ILE  57  -1.537   1.950  -9.012
  454   3HD1  ILE  57          HD13      ILE  57  -2.342   0.426  -9.397
  455    H    ARG  58           HN       ARG  58   1.630   3.020  -9.467
  456    HA   ARG  58           HA       ARG  58   3.811   4.164  -7.963
  457   1HB   ARG  58          HB2       ARG  58   4.045   5.725  -9.791
  458   2HB   ARG  58          HB3       ARG  58   3.804   4.113 -10.450
  459   1HG   ARG  58          HG3       ARG  58   1.576   4.603 -11.081
  460   2HG   ARG  58          HG2       ARG  58   1.565   6.081 -10.120
  461   1HD   ARG  58          HD2       ARG  58   1.828   6.852 -12.295
  462   2HD   ARG  58          HD3       ARG  58   3.457   6.871 -11.628
  463    HE   ARG  58           HE       ARG  58   2.475   5.194 -13.770
  464   1HH1  ARG  58          HH12      ARG  58   5.561   5.317 -11.548
  465   2HH1  ARG  58          HH11      ARG  58   5.949   6.128 -13.025
  466   1HH2  ARG  58          HH21      ARG  58   4.444   4.407 -15.073
  467   2HH2  ARG  58          HH22      ARG  58   4.787   3.110 -13.969
  468    H    LEU  59           HN       LEU  59   3.761   5.904  -6.645
  469    HA   LEU  59           HA       LEU  59   1.128   7.114  -6.124
  470   1HB   LEU  59          HB2       LEU  59   3.646   6.932  -4.487
  471   2HB   LEU  59          HB3       LEU  59   2.296   7.961  -4.039
  472    HG   LEU  59           HG       LEU  59   2.126   4.961  -4.374
  473   1HD1  LEU  59          HD21      LEU  59   1.699   5.587  -1.719
  474   2HD1  LEU  59          HD22      LEU  59   3.140   4.842  -2.412
  475   3HD1  LEU  59          HD23      LEU  59   3.076   6.589  -2.180
  476   1HD2  LEU  59          HD11      LEU  59   0.118   6.311  -2.757
  477   2HD2  LEU  59          HD12      LEU  59   0.104   6.819  -4.447
  478   3HD2  LEU  59          HD13      LEU  59  -0.073   5.114  -4.041
  479    H    ASP  60           HN       ASP  60   4.025   7.718  -7.672
  480    HA   ASP  60           HA       ASP  60   4.631  10.367  -7.161
  481   1HB   ASP  60          HB3       ASP  60   6.101   9.132  -8.558
  482   2HB   ASP  60          HB2       ASP  60   4.814   8.762  -9.707
  483    H    LYS  61           HN       LYS  61   2.198   9.071  -9.350
  484    HA   LYS  61           HA       LYS  61   1.105  11.781  -9.655
  485   1HB   LYS  61          HB3       LYS  61   1.091   9.461 -11.599
  486   2HB   LYS  61          HB2       LYS  61   0.198  10.952 -11.846
  487   1HG   LYS  61          HG2       LYS  61   2.278  12.208 -11.906
  488   2HG   LYS  61          HG3       LYS  61   3.188  10.738 -11.568
  489   1HD   LYS  61          HD2       LYS  61   2.441   9.757 -13.659
  490   2HD   LYS  61          HD3       LYS  61   1.470  11.191 -13.999
  491   1HE   LYS  61          HE3       LYS  61   3.451  12.560 -14.118
  492   2HE   LYS  61          HE2       LYS  61   4.457  11.185 -13.642
  493   1HZ   LYS  61          HZ1       LYS  61   4.270  11.791 -16.116
  494   2HZ   LYS  61          HZ2       LYS  61   2.760  11.023 -16.047
  495   3HZ   LYS  61          HZ3       LYS  61   4.170  10.159 -15.666
  496    H    TYR  62           HN       TYR  62   0.602  10.032  -7.515
  497    HA   TYR  62           HA       TYR  62  -2.154   9.181  -8.011
  498   1HB   TYR  62          HB2       TYR  62   0.055   7.834  -6.899
  499   2HB   TYR  62          HB3       TYR  62  -1.040   8.169  -5.564
  500    HD1  TYR  62           HD1      TYR  62  -1.581   7.197  -9.125
  501    HD2  TYR  62           HD2      TYR  62  -2.234   6.318  -5.032
  502    HE1  TYR  62           HE1      TYR  62  -2.964   5.240  -9.755
  503    HE2  TYR  62           HE2      TYR  62  -3.564   4.379  -5.628
  504    HH   TYR  62           HH       TYR  62  -4.500   3.760  -8.959
  505    H    ASN  63           HN       ASN  63  -3.699   9.619  -6.494
  506    HA   ASN  63           HA       ASN  63  -3.058  11.582  -4.405
  507   1HB   ASN  63          HB3       ASN  63  -5.411  11.590  -6.306
  508   2HB   ASN  63          HB2       ASN  63  -5.357  12.540  -4.829
  509   1HD2  ASN  63          HD21      ASN  63  -4.895  14.576  -5.197
  510   2HD2  ASN  63          HD22      ASN  63  -4.040  15.190  -6.557
  511    H    ILE  64           HN       ILE  64  -2.911   9.721  -3.136
  512    HA   ILE  64           HA       ILE  64  -5.325   8.136  -2.806
  513    HB   ILE  64           HB       ILE  64  -3.289   6.904  -2.965
  514   1HG1  ILE  64          HG12      ILE  64  -4.104   6.833  -0.065
  515   2HG1  ILE  64          HG13      ILE  64  -5.088   6.163  -1.364
  516   1HG2  ILE  64          HG21      ILE  64  -1.573   8.331  -2.332
  517   2HG2  ILE  64          HG22      ILE  64  -2.331   8.711  -0.783
  518   3HG2  ILE  64          HG23      ILE  64  -1.604   7.126  -1.037
  519   1HD1  ILE  64          HD11      ILE  64  -3.287   4.655  -1.973
  520   2HD1  ILE  64          HD12      ILE  64  -2.273   5.341  -0.692
  521   3HD1  ILE  64          HD13      ILE  64  -3.735   4.444  -0.283
  522    H    ARG  65           HN       ARG  65  -6.809   8.674  -1.443
  523    HA   ARG  65           HA       ARG  65  -6.139  10.305   0.911
  524   1HB   ARG  65          HB2       ARG  65  -8.671  10.246  -0.689
  525   2HB   ARG  65          HB3       ARG  65  -8.454  11.169   0.770
  526   1HG   ARG  65          HG3       ARG  65  -6.674  12.449  -0.318
  527   2HG   ARG  65          HG2       ARG  65  -6.978  11.555  -1.815
  528   1HD   ARG  65          HD2       ARG  65  -8.130  13.702  -1.832
  529   2HD   ARG  65          HD3       ARG  65  -9.276  12.358  -1.833
  530    HE   ARG  65           HE       ARG  65  -8.815  13.182   0.820
  531   1HH1  ARG  65          HH12      ARG  65 -11.584  13.540  -1.484
  532   2HH1  ARG  65          HH11      ARG  65 -10.748  15.007  -1.929
  533   1HH2  ARG  65          HH21      ARG  65 -10.221  14.659   1.862
  534   2HH2  ARG  65          HH22      ARG  65 -11.574  15.293   0.974
  535    H    GLN  66           HN       GLN  66  -8.480  10.124   2.324
  536    HA   GLN  66           HA       GLN  66  -9.203   7.335   2.611
  537   1HB   GLN  66          HB3       GLN  66  -8.494   7.212   4.977
  538   2HB   GLN  66          HB2       GLN  66  -7.135   7.384   3.870
  539   1HG   GLN  66          HG2       GLN  66  -6.507   8.873   5.454
  540   2HG   GLN  66          HG3       GLN  66  -7.453   9.944   4.425
  541   1HE2  GLN  66          HE21      GLN  66  -9.198   7.624   6.239
  542   2HE2  GLN  66          HE22      GLN  66  -9.754   8.684   7.490
  543    H    HIS  67           HN       HIS  67 -11.134   7.029   3.745
  544    HA   HIS  67           HA       HIS  67 -12.366   9.393   4.951
  545   1HB   HIS  67          HB3       HIS  67 -13.585   7.629   2.824
  546   2HB   HIS  67          HB2       HIS  67 -14.539   8.690   3.849
  547    HD1  HIS  67           HD1      HIS  67 -13.467  11.341   3.747
  548    HD2  HIS  67           HD2      HIS  67 -13.001   8.805   0.481
  549    HE1  HIS  67           HE1      HIS  67 -13.030  12.844   1.769
  550    HE2  HIS  67           HE2      HIS  67 -12.905  11.298  -0.219
  551    H    THR  68           HN       THR  68 -12.729   8.800   6.996
  552    HA   THR  68           HA       THR  68 -13.280   5.972   7.562
  553    HB   THR  68           HB       THR  68 -12.620   8.106   9.586
  554    HG1  THR  68           HG1      THR  68 -10.924   6.679   7.841
  555   1HG2  THR  68          HG21      THR  68 -12.622   6.469  11.070
  556   2HG2  THR  68          HG22      THR  68 -11.433   5.586  10.117
  557   3HG2  THR  68          HG23      THR  68 -13.157   5.343   9.815
  558    H    THR  69           HN       THR  69 -15.536   6.333   6.772
  559    HA   THR  69           HA       THR  69 -17.280   7.984   8.324
  560    HB   THR  69           HB       THR  69 -19.050   6.531   7.115
  561    HG1  THR  69           HG1      THR  69 -18.374   5.079   5.737
  562   1HG2  THR  69          HG21      THR  69 -18.670   8.697   6.234
  563   2HG2  THR  69          HG22      THR  69 -18.615   7.554   4.881
  564   3HG2  THR  69          HG23      THR  69 -17.119   8.212   5.539
  565    H    ASP  70           HN       ASP  70 -16.188   4.729   8.312
  566    HA   ASP  70           HA       ASP  70 -17.033   4.231  11.021
  567   1HB   ASP  70          HB2       ASP  70 -19.044   3.496   9.662
  568   2HB   ASP  70          HB3       ASP  70 -18.001   2.330   8.857
  569    H    GLU  71           HN       GLU  71 -16.043   2.687   8.031
  570    HA   GLU  71           HA       GLU  71 -13.722   1.509   9.404
  571   1HB   GLU  71          HB2       GLU  71 -14.881   0.950   6.664
  572   2HB   GLU  71          HB3       GLU  71 -13.471   0.153   7.358
  573   1HG   GLU  71          HG3       GLU  71 -14.753  -1.055   8.880
  574   2HG   GLU  71          HG2       GLU  71 -16.143   0.019   8.700
  575    H    ASP  72           HN       ASP  72 -11.621   1.905   8.371
  576    HA   ASP  72           HA       ASP  72 -11.561   4.542   7.196
  577   1HB   ASP  72          HB3       ASP  72  -9.884   3.612   8.931
  578   2HB   ASP  72          HB2       ASP  72  -9.116   2.837   7.546
  579    H    THR  73           HN       THR  73 -12.162   4.639   5.164
  580    HA   THR  73           HA       THR  73 -11.325   2.577   3.293
  581    HB   THR  73           HB       THR  73 -12.991   5.050   2.766
  582    HG1  THR  73           HG1      THR  73 -13.816   3.475   4.374
  583   1HG2  THR  73          HG21      THR  73 -12.891   2.464   1.242
  584   2HG2  THR  73          HG22      THR  73 -12.121   3.970   0.751
  585   3HG2  THR  73          HG23      THR  73 -13.880   3.877   0.878
  586    H    ILE  74           HN       ILE  74  -9.248   2.810   2.680
  587    HA   ILE  74           HA       ILE  74  -8.178   5.483   2.200
  588    HB   ILE  74           HB       ILE  74  -6.630   3.051   1.426
  589   1HG1  ILE  74          HG12      ILE  74  -7.702   2.417   3.575
  590   2HG1  ILE  74          HG13      ILE  74  -5.952   2.536   3.682
  591   1HG2  ILE  74          HG21      ILE  74  -5.250   4.906   3.114
  592   2HG2  ILE  74          HG22      ILE  74  -4.952   4.487   1.429
  593   3HG2  ILE  74          HG23      ILE  74  -6.089   5.771   1.825
  594   1HD1  ILE  74          HD11      ILE  74  -7.813   4.727   4.560
  595   2HD1  ILE  74          HD12      ILE  74  -7.204   3.464   5.628
  596   3HD1  ILE  74          HD13      ILE  74  -6.078   4.588   4.863
  597    H    VAL  75           HN       VAL  75  -8.927   6.331   0.337
  598    HA   VAL  75           HA       VAL  75  -9.404   4.553  -1.904
  599    HB   VAL  75           HB       VAL  75 -10.541   6.459  -2.965
  600   1HG1  VAL  75          HG11      VAL  75 -11.572   4.819  -1.224
  601   2HG1  VAL  75          HG12      VAL  75 -11.669   6.259  -0.206
  602   3HG1  VAL  75          HG13      VAL  75 -12.497   6.221  -1.763
  603   1HG2  VAL  75          HG21      VAL  75 -10.960   8.515  -1.798
  604   2HG2  VAL  75          HG22      VAL  75 -10.066   7.946  -0.396
  605   3HG2  VAL  75          HG23      VAL  75  -9.216   8.266  -1.908
  606    H    LEU  76           HN       LEU  76  -8.167   4.370  -3.576
  607    HA   LEU  76           HA       LEU  76  -5.881   6.167  -3.852
  608   1HB   LEU  76          HB2       LEU  76  -6.535   3.483  -5.063
  609   2HB   LEU  76          HB3       LEU  76  -5.189   4.472  -5.603
  610    HG   LEU  76           HG       LEU  76  -4.329   4.399  -3.228
  611   1HD1  LEU  76          HD11      LEU  76  -6.798   2.980  -2.859
  612   2HD1  LEU  76          HD12      LEU  76  -5.412   1.982  -2.370
  613   3HD1  LEU  76          HD13      LEU  76  -5.656   3.582  -1.664
  614   1HD2  LEU  76          HD21      LEU  76  -3.019   3.086  -4.492
  615   2HD2  LEU  76          HD22      LEU  76  -3.793   1.797  -3.564
  616   3HD2  LEU  76          HD23      LEU  76  -4.376   2.198  -5.188
  617    H    GLN  77           HN       GLN  77  -6.264   7.897  -5.084
  618    HA   GLN  77           HA       GLN  77  -8.036   7.559  -7.414
  619   1HB   GLN  77          HB3       GLN  77  -8.875   9.132  -5.719
  620   2HB   GLN  77          HB2       GLN  77  -7.392  10.072  -5.849
  621   1HG   GLN  77          HG3       GLN  77  -7.944  10.658  -8.141
  622   2HG   GLN  77          HG2       GLN  77  -9.398   9.663  -8.063
  623   1HE2  GLN  77          HE21      GLN  77 -11.150  10.872  -7.871
  624   2HE2  GLN  77          HE22      GLN  77 -11.348  12.157  -6.736
  625    HA   PRO  78           HA       PRO  78  -4.331   8.449  -9.744
  626   1HB   PRO  78          HB3       PRO  78  -5.639   8.023 -12.186
  627   2HB   PRO  78          HB2       PRO  78  -4.782   6.808 -11.239
  628   1HG   PRO  78          HG3       PRO  78  -7.554   6.915 -11.748
  629   2HG   PRO  78          HG2       PRO  78  -6.723   5.835 -10.625
  630   1HD   PRO  78          HD2       PRO  78  -8.219   8.342 -10.079
  631   2HD   PRO  78          HD3       PRO  78  -7.962   6.918  -9.035
  632    H    GLN  79           HN       GLN  79  -3.551  10.376 -10.532
  633    HA   GLN  79           HA       GLN  79  -5.531  12.439 -11.127
  634   1HB   GLN  79          HB2       GLN  79  -3.773  14.037 -10.869
  635   2HB   GLN  79          HB3       GLN  79  -3.619  12.878  -9.558
  636   1HG   GLN  79          HG3       GLN  79  -1.833  11.745 -10.734
  637   2HG   GLN  79          HG2       GLN  79  -2.007  12.847 -12.094
  638   1HE2  GLN  79          HE21      GLN  79  -2.506  14.318  -9.103
  639   2HE2  GLN  79          HE22      GLN  79  -0.941  14.998  -8.873
  640    H    GLU  80           HN       GLU  80  -4.386  10.085 -12.833
  641    HA   GLU  80           HA       GLU  80  -3.884  11.678 -15.261
  642   1HB   GLU  80          HB3       GLU  80  -3.163   8.767 -14.825
  643   2HB   GLU  80          HB2       GLU  80  -2.756   9.757 -16.221
  644   1HG   GLU  80          HG3       GLU  80  -1.414  11.199 -14.639
  645   2HG   GLU  80          HG2       GLU  80  -1.621   9.911 -13.452
  646    HA   PRO  81           HA       PRO  81  -7.663   9.949 -16.793
  647   1HB   PRO  81          HB3       PRO  81  -7.284   9.956 -19.468
  648   2HB   PRO  81          HB2       PRO  81  -7.485  11.436 -18.529
  649   1HG   PRO  81          HG2       PRO  81  -5.018  10.229 -19.647
  650   2HG   PRO  81          HG3       PRO  81  -5.452  11.926 -19.466
  651   1HD   PRO  81          HD3       PRO  81  -3.755  10.513 -17.783
  652   2HD   PRO  81          HD2       PRO  81  -4.573  12.034 -17.372
  653    H    GLY  82           HN       GLY  82  -6.098   7.952 -15.788
  654   1HA   GLY  82          HA1       GLY  82  -7.011   5.696 -17.286
  655   2HA   GLY  82          HA2       GLY  82  -5.264   5.880 -17.365
  656    H    LEU  83           HN       LEU  83  -4.236   4.713 -15.963
  657    HA   LEU  83           HA       LEU  83  -3.946   3.162 -14.269
  658   1HB   LEU  83          HB3       LEU  83  -3.550   5.873 -13.556
  659   2HB   LEU  83          HB2       LEU  83  -4.117   5.030 -12.128
  660    HG   LEU  83           HG       LEU  83  -1.637   4.442 -13.761
  661   1HD1  LEU  83          HD21      LEU  83  -2.130   6.035 -11.506
  662   2HD1  LEU  83          HD22      LEU  83  -1.296   4.609 -10.928
  663   3HD1  LEU  83          HD23      LEU  83  -0.565   5.581 -12.189
  664   1HD2  LEU  83          HD11      LEU  83  -1.636   2.306 -13.119
  665   2HD2  LEU  83          HD12      LEU  83  -1.729   2.815 -11.426
  666   3HD2  LEU  83          HD13      LEU  83  -3.209   2.525 -12.346
  667    HA   PRO  84           HA       PRO  84  -7.977   1.834 -12.720
  668   1HB   PRO  84          HB2       PRO  84  -6.804  -0.327 -11.405
  669   2HB   PRO  84          HB3       PRO  84  -7.501  -0.364 -13.034
  670   1HG   PRO  84          HG3       PRO  84  -4.647  -0.122 -12.200
  671   2HG   PRO  84          HG2       PRO  84  -5.348  -0.938 -13.612
  672   1HD   PRO  84          HD2       PRO  84  -4.102   1.436 -13.839
  673   2HD   PRO  84          HD3       PRO  84  -5.522   1.031 -14.826
  674    H    SER  85           HN       SER  85  -8.880   2.263 -10.789
  675    HA   SER  85           HA       SER  85  -7.062   2.893  -8.568
  676   1HB   SER  85          HB3       SER  85  -8.871   4.551  -7.905
  677   2HB   SER  85          HB2       SER  85  -7.968   4.949  -9.355
  678    HG   SER  85           HG       SER  85  -9.857   5.068 -10.276
  679    H    PHE  86           HN       PHE  86  -7.726   2.271  -6.470
  680    HA   PHE  86           HA       PHE  86 -10.186   0.714  -6.375
  681   1HB   PHE  86          HB2       PHE  86  -9.155  -1.157  -5.311
  682   2HB   PHE  86          HB3       PHE  86  -8.296  -0.824  -6.807
  683    HD1  PHE  86           HD1      PHE  86  -8.101  -0.595  -3.136
  684    HD2  PHE  86           HD2      PHE  86  -6.000  -0.306  -6.824
  685    HE1  PHE  86           HE1      PHE  86  -5.948  -0.659  -1.913
  686    HE2  PHE  86           HE2      PHE  86  -3.859  -0.345  -5.614
  687    HZ   PHE  86           HZ       PHE  86  -3.839  -0.536  -3.154
  688    H    ARG  87           HN       ARG  87 -10.750   0.079  -4.157
  689    HA   ARG  87           HA       ARG  87 -10.102   2.213  -2.228
  690   1HB   ARG  87          HB3       ARG  87 -12.463   1.667  -1.323
  691   2HB   ARG  87          HB2       ARG  87 -12.354   2.616  -2.802
  692   1HG   ARG  87          HG2       ARG  87 -12.601  -0.347  -3.007
  693   2HG   ARG  87          HG3       ARG  87 -14.030   0.601  -2.603
  694   1HD   ARG  87          HD2       ARG  87 -14.134   1.589  -4.659
  695   2HD   ARG  87          HD3       ARG  87 -12.388   1.538  -4.890
  696    HE   ARG  87           HE       ARG  87 -13.261  -1.088  -4.993
  697   1HH1  ARG  87          HH12      ARG  87 -15.116   1.263  -6.938
  698   2HH1  ARG  87          HH11      ARG  87 -13.607   1.614  -7.726
  699   1HH2  ARG  87          HH21      ARG  87 -14.539  -1.895  -7.286
  700   2HH2  ARG  87          HH22      ARG  87 -13.005  -1.552  -8.024
  701    H    ILE  88           HN       ILE  88  -9.252   1.487  -0.320
  702    HA   ILE  88           HA       ILE  88  -9.578  -1.388   0.160
  703    HB   ILE  88           HB       ILE  88  -7.520  -0.984   1.743
  704   1HG1  ILE  88          HG12      ILE  88  -7.107   1.116  -0.391
  705   2HG1  ILE  88          HG13      ILE  88  -7.332   1.408   1.331
  706   1HG2  ILE  88          HG21      ILE  88  -6.079  -1.413  -0.441
  707   2HG2  ILE  88          HG22      ILE  88  -7.153  -2.630   0.257
  708   3HG2  ILE  88          HG23      ILE  88  -7.694  -1.667  -1.125
  709   1HD1  ILE  88          HD11      ILE  88  -5.269   0.344   1.852
  710   2HD1  ILE  88          HD12      ILE  88  -5.048  -0.163   0.179
  711   3HD1  ILE  88          HD13      ILE  88  -4.982   1.545   0.594
  712    H    LYS  89           HN       LYS  89 -10.720  -1.986   1.762
  713    HA   LYS  89           HA       LYS  89 -11.005  -0.235   4.102
  714   1HB   LYS  89          HB2       LYS  89 -13.146  -2.107   3.075
  715   2HB   LYS  89          HB3       LYS  89 -13.301  -0.931   4.365
  716   1HG   LYS  89          HG3       LYS  89 -12.743   0.759   2.415
  717   2HG   LYS  89          HG2       LYS  89 -13.359  -0.570   1.421
  718   1HD   LYS  89          HD2       LYS  89 -14.793   0.798   3.685
  719   2HD   LYS  89          HD3       LYS  89 -15.158   0.928   1.968
  720   1HE   LYS  89          HE3       LYS  89 -15.940  -1.284   1.848
  721   2HE   LYS  89          HE2       LYS  89 -15.183  -1.722   3.382
  722   1HZ   LYS  89          HZ1       LYS  89 -17.187   0.398   3.460
  723   2HZ   LYS  89          HZ2       LYS  89 -16.866  -0.819   4.581
  724   3HZ   LYS  89          HZ3       LYS  89 -17.758  -1.170   3.187
  725    HA   PRO  90           HA       PRO  90  -9.357  -3.549   6.510
  726   1HB   PRO  90          HB2       PRO  90 -11.739  -3.104   8.262
  727   2HB   PRO  90          HB3       PRO  90 -10.032  -3.226   8.699
  728   1HG   PRO  90          HG2       PRO  90 -11.212  -0.856   8.616
  729   2HG   PRO  90          HG3       PRO  90  -9.564  -1.052   7.976
  730   1HD   PRO  90          HD3       PRO  90 -12.165  -0.808   6.512
  731   2HD   PRO  90          HD2       PRO  90 -10.566  -0.161   6.079
  732    H    LYS  91           HN       LYS  91 -12.740  -3.595   5.741
  733    HA   LYS  91           HA       LYS  91 -14.281  -5.146   5.232
  734   1HB   LYS  91          HB2       LYS  91 -12.111  -5.903   3.841
  735   2HB   LYS  91          HB3       LYS  91 -12.285  -7.320   4.874
  736   1HG   LYS  91          HG2       LYS  91 -14.677  -6.293   3.416
  737   2HG   LYS  91          HG3       LYS  91 -13.462  -7.213   2.530
  738   1HD   LYS  91          HD3       LYS  91 -14.840  -8.167   5.032
  739   2HD   LYS  91          HD2       LYS  91 -15.325  -8.606   3.395
  740   1HE   LYS  91          HE2       LYS  91 -12.992  -9.485   3.049
  741   2HE   LYS  91          HE3       LYS  91 -12.709  -9.215   4.768
  742   1HZ   LYS  91          HZ1       LYS  91 -14.524 -11.157   3.490
  743   2HZ   LYS  91          HZ2       LYS  91 -14.781 -10.654   5.087
  744   3HZ   LYS  91          HZ3       LYS  91 -13.324 -11.421   4.666
  745    H    ASP  92           HN       ASP  92 -11.847  -7.233   6.702
  746    HA   ASP  92           HA       ASP  92 -13.629  -7.678   8.991
  747   1HB   ASP  92          HB3       ASP  92 -13.885  -9.544   7.367
  748   2HB   ASP  92          HB2       ASP  92 -12.151  -9.852   7.476
  749    H    PHE  93           HN       PHE  93 -12.548  -7.347  10.867
  750    HA   PHE  93           HA       PHE  93  -9.786  -8.131  11.181
  751   1HB   PHE  93          HB3       PHE  93  -8.879  -5.955  11.657
  752   2HB   PHE  93          HB2       PHE  93  -9.656  -5.866  10.084
  753    HD1  PHE  93           HD1      PHE  93  -9.534  -4.575  13.424
  754    HD2  PHE  93           HD2      PHE  93 -11.943  -4.803   9.927
  755    HE1  PHE  93           HE1      PHE  93 -10.907  -2.714  14.256
  756    HE2  PHE  93           HE2      PHE  93 -13.315  -2.930  10.747
  757    HZ   PHE  93           HZ       PHE  93 -12.803  -1.889  12.917
  758    H    GLU  94           HN       GLU  94  -9.062  -7.058  13.500
  759    HA   GLU  94           HA       GLU  94 -11.286  -7.633  15.359
  760   1HB   GLU  94          HB3       GLU  94  -8.317  -8.139  15.688
  761   2HB   GLU  94          HB2       GLU  94  -9.526  -8.424  16.932
  762   1HG   GLU  94          HG2       GLU  94 -10.532 -10.160  15.703
  763   2HG   GLU  94          HG3       GLU  94  -9.651  -9.736  14.239
  764    H    THR  95           HN       THR  95  -8.082  -6.343  16.089
  765    HA   THR  95           HA       THR  95  -9.294  -3.744  16.788
  766    HB   THR  95           HB       THR  95  -7.062  -5.027  18.384
  767    HG1  THR  95           HG1      THR  95  -9.854  -5.277  18.636
  768   1HG2  THR  95          HG21      THR  95  -8.947  -2.767  19.001
  769   2HG2  THR  95          HG22      THR  95  -7.213  -2.656  18.727
  770   3HG2  THR  95          HG23      THR  95  -7.827  -3.491  20.149
  771    H    SER  96           HN       SER  96  -8.193  -4.521  14.430
  772    HA   SER  96           HA       SER  96  -5.435  -3.717  14.215
  773   1HB   SER  96          HB3       SER  96  -7.358  -4.276  11.964
  774   2HB   SER  96          HB2       SER  96  -5.604  -4.483  11.983
  775    HG   SER  96           HG       SER  96  -5.975  -6.440  12.621
  776    H    GLU  97           HN       GLU  97  -8.098  -1.812  14.529
  777    HA   GLU  97           HA       GLU  97  -7.764  -0.061  12.300
  778   1HB   GLU  97          HB2       GLU  97  -9.234   0.185  14.884
  779   2HB   GLU  97          HB3       GLU  97  -9.101   1.560  13.786
  780   1HG   GLU  97          HG2       GLU  97 -10.416  -1.097  13.313
  781   2HG   GLU  97          HG3       GLU  97 -11.133   0.512  13.232
  782    H    TYR  98           HN       TYR  98  -6.136  -0.350  15.313
  783    HA   TYR  98           HA       TYR  98  -5.210   2.266  15.648
  784   1HB   TYR  98          HB2       TYR  98  -3.981  -0.404  16.333
  785   2HB   TYR  98          HB3       TYR  98  -3.157   1.112  16.694
  786    HD1  TYR  98           HD1      TYR  98  -6.555  -0.393  17.149
  787    HD2  TYR  98           HD2      TYR  98  -3.413   1.937  18.805
  788    HE1  TYR  98           HE1      TYR  98  -7.840  -0.167  19.237
  789    HE2  TYR  98           HE2      TYR  98  -4.661   2.140  20.909
  790    HH   TYR  98           HH       TYR  98  -7.482   1.986  21.391
  791    H    VAL  99           HN       VAL  99  -3.711  -0.459  13.926
  792    HA   VAL  99           HA       VAL  99  -1.568   0.994  12.872
  793    HB   VAL  99           HB       VAL  99  -2.915  -1.497  11.812
  794   1HG1  VAL  99          HG21      VAL  99  -1.777  -0.847   9.921
  795   2HG1  VAL  99          HG22      VAL  99  -0.557   0.043  10.830
  796   3HG1  VAL  99          HG23      VAL  99  -0.499  -1.713  10.757
  797   1HG2  VAL  99          HG11      VAL  99  -1.768  -2.604  13.360
  798   2HG2  VAL  99          HG12      VAL  99  -0.271  -1.829  12.876
  799   3HG2  VAL  99          HG13      VAL  99  -1.314  -1.054  14.063
  800    H    ARG 100           HN       ARG 100  -4.801   0.352  11.590
  801    HA   ARG 100           HA       ARG 100  -4.453   1.419   9.046
  802   1HB   ARG 100          HB2       ARG 100  -6.837   1.062  10.818
  803   2HB   ARG 100          HB3       ARG 100  -7.001   2.060   9.379
  804   1HG   ARG 100          HG3       ARG 100  -7.706  -0.251   8.994
  805   2HG   ARG 100          HG2       ARG 100  -6.345   0.213   7.972
  806   1HD   ARG 100          HD3       ARG 100  -4.810  -0.919   9.478
  807   2HD   ARG 100          HD2       ARG 100  -6.149  -1.365  10.531
  808    HE   ARG 100           HE       ARG 100  -5.349  -2.623   8.082
  809   1HH1  ARG 100          HH12      ARG 100  -8.341  -2.199  10.155
  810   2HH1  ARG 100          HH11      ARG 100  -8.289  -3.935  10.234
  811   1HH2  ARG 100          HH22      ARG 100  -6.674  -4.175   7.115
  812   2HH2  ARG 100          HH21      ARG 100  -7.794  -4.959   8.189
  813    H    LYS 101           HN       LYS 101  -5.431   3.046  12.047
  814    HA   LYS 101           HA       LYS 101  -5.758   5.591  10.859
  815   1HB   LYS 101          HB3       LYS 101  -5.183   4.819  13.712
  816   2HB   LYS 101          HB2       LYS 101  -5.618   6.433  13.190
  817   1HG   LYS 101          HG3       LYS 101  -7.316   3.954  13.122
  818   2HG   LYS 101          HG2       LYS 101  -7.558   5.428  14.043
  819   1HD   LYS 101          HD2       LYS 101  -8.905   6.104  12.442
  820   2HD   LYS 101          HD3       LYS 101  -7.463   6.323  11.454
  821   1HE   LYS 101          HE3       LYS 101  -9.086   4.989  10.240
  822   2HE   LYS 101          HE2       LYS 101  -7.695   3.988  10.659
  823   1HZ   LYS 101          HZ1       LYS 101  -9.322   3.606  12.768
  824   2HZ   LYS 101          HZ2       LYS 101  -9.247   2.577  11.423
  825   3HZ   LYS 101          HZ3       LYS 101 -10.445   3.763  11.507
  826    H    ALA 102           HN       ALA 102  -3.017   3.976  12.377
  827    HA   ALA 102           HA       ALA 102  -1.288   6.242  12.376
  828   1HB   ALA 102          HB1       ALA 102   0.195   4.876  13.406
  829   2HB   ALA 102          HB2       ALA 102  -1.238   3.864  13.611
  830   3HB   ALA 102          HB3       ALA 102  -0.115   3.533  12.288
  831    H    TRP 103           HN       TRP 103  -0.851   3.228  10.616
  832    HA   TRP 103           HA       TRP 103   0.984   4.157   8.824
  833   1HB   TRP 103          HB2       TRP 103   0.991   2.081   7.987
  834   2HB   TRP 103          HB3       TRP 103  -0.043   1.751   9.367
  835    HD1  TRP 103           HD1      TRP 103  -2.782   1.745   8.778
  836    HE1  TRP 103           HE1      TRP 103  -3.928   0.787   6.687
  837    HE3  TRP 103           HE3      TRP 103   1.224   1.643   5.618
  838    HZ2  TRP 103           HZ2      TRP 103  -3.232   0.106   4.044
  839    HZ3  TRP 103           HZ3      TRP 103   0.898   0.833   3.310
  840    HH2  TRP 103           HH2      TRP 103  -1.275   0.090   2.541
  841    H    LEU 104           HN       LEU 104  -2.495   4.621   8.583
  842    HA   LEU 104           HA       LEU 104  -2.417   5.319   5.815
  843   1HB   LEU 104          HB3       LEU 104  -4.490   4.632   6.554
  844   2HB   LEU 104          HB2       LEU 104  -4.387   5.525   8.045
  845    HG   LEU 104           HG       LEU 104  -6.118   6.201   6.313
  846   1HD1  LEU 104          HD11      LEU 104  -4.949   8.715   6.912
  847   2HD1  LEU 104          HD12      LEU 104  -6.279   7.879   7.719
  848   3HD1  LEU 104          HD13      LEU 104  -4.618   7.595   8.250
  849   1HD2  LEU 104          HD21      LEU 104  -5.578   7.195   4.392
  850   2HD2  LEU 104          HD22      LEU 104  -4.204   8.050   5.101
  851   3HD2  LEU 104          HD23      LEU 104  -4.035   6.367   4.590
  852    H    ARG 105           HN       ARG 105  -2.165   6.965   8.838
  853    HA   ARG 105           HA       ARG 105  -2.057   9.637   8.001
  854   1HB   ARG 105          HB3       ARG 105  -0.663   8.251  10.284
  855   2HB   ARG 105          HB2       ARG 105  -0.408   9.964   9.969
  856   1HG   ARG 105          HG2       ARG 105  -2.792  10.376  10.263
  857   2HG   ARG 105          HG3       ARG 105  -3.046   8.655  10.581
  858   1HD   ARG 105          HD3       ARG 105  -1.593   8.775  12.521
  859   2HD   ARG 105          HD2       ARG 105  -1.268  10.476  12.200
  860    HE   ARG 105           HE       ARG 105  -4.048  10.089  12.473
  861   1HH1  ARG 105          HH11      ARG 105  -1.394  11.432  14.518
  862   2HH1  ARG 105          HH12      ARG 105  -1.468   9.895  15.350
  863   1HH2  ARG 105          HH21      ARG 105  -5.086  10.772  14.404
  864   2HH2  ARG 105          HH22      ARG 105  -4.204  10.691  15.905
  865    H    ASP 106           HN       ASP 106   0.343   7.095   7.823
  866    HA   ASP 106           HA       ASP 106   2.552   8.749   6.977
  867   1HB   ASP 106          HB3       ASP 106   2.301   6.193   7.951
  868   2HB   ASP 106          HB2       ASP 106   2.626   5.905   6.256
  869    H    ILE 107           HN       ILE 107  -0.208   7.494   5.543
  870    HA   ILE 107           HA       ILE 107   0.764   7.411   2.801
  871    HB   ILE 107           HB       ILE 107  -1.851   6.853   4.118
  872   1HG1  ILE 107          HG12      ILE 107  -1.859   5.046   2.328
  873   2HG1  ILE 107          HG13      ILE 107  -0.256   5.610   1.882
  874   1HG2  ILE 107          HG21      ILE 107  -1.732   8.457   1.736
  875   2HG2  ILE 107          HG22      ILE 107  -2.512   6.917   1.405
  876   3HG2  ILE 107          HG23      ILE 107  -3.130   7.957   2.691
  877   1HD1  ILE 107          HD11      ILE 107  -0.695   4.906   4.725
  878   2HD1  ILE 107          HD12      ILE 107  -0.634   3.586   3.538
  879   3HD1  ILE 107          HD13      ILE 107   0.734   4.708   3.700
  880    H    ALA 108           HN       ALA 108  -1.003   9.470   4.983
  881    HA   ALA 108           HA       ALA 108  -1.689  11.519   3.139
  882   1HB   ALA 108          HB1       ALA 108  -1.997  11.014   5.959
  883   2HB   ALA 108          HB2       ALA 108  -1.540  12.686   5.664
  884   3HB   ALA 108          HB3       ALA 108  -2.969  12.019   4.887
  885    H    GLU 109           HN       GLU 109   0.749  11.472   5.746
  886    HA   GLU 109           HA       GLU 109   2.134  13.758   4.653
  887   1HB   GLU 109          HB2       GLU 109   3.762  13.350   6.492
  888   2HB   GLU 109          HB3       GLU 109   2.104  13.526   7.049
  889   1HG   GLU 109          HG2       GLU 109   1.911  11.247   7.551
  890   2HG   GLU 109          HG3       GLU 109   3.306  10.823   6.561
  891    H    GLU 110           HN       GLU 110   2.024  11.947   2.693
  892    HA   GLU 110           HA       GLU 110   4.176  10.148   2.520
  893   1HB   GLU 110          HB2       GLU 110   3.671  10.123   0.103
  894   2HB   GLU 110          HB3       GLU 110   2.245   9.930   1.110
  895   1HG   GLU 110          HG2       GLU 110   1.480  12.103   0.643
  896   2HG   GLU 110          HG3       GLU 110   3.034  12.600  -0.025
  897    H    GLN 111           HN       GLN 111   6.154  10.788   2.859
  898    HA   GLN 111           HA       GLN 111   8.070  12.013   2.858
  899   1HB   GLN 111          HB2       GLN 111   7.887  10.733   0.603
  900   2HB   GLN 111          HB3       GLN 111   7.645  12.331  -0.096
  901   1HG   GLN 111          HG3       GLN 111   9.765  13.065   0.879
  902   2HG   GLN 111          HG2       GLN 111  10.008  11.449   1.536
  903   1HE2  GLN 111          HE21      GLN 111   8.530  10.925  -1.312
  904   2HE2  GLN 111          HE22      GLN 111   9.857  10.969  -2.412
  905    H    GLU 112           HN       GLU 112   6.125  13.730   3.688
  906    HA   GLU 112           HA       GLU 112   6.213  16.113   2.041
  907   1HB   GLU 112          HB2       GLU 112   4.974  15.700   4.766
  908   2HB   GLU 112          HB3       GLU 112   4.793  17.133   3.770
  909   1HG   GLU 112          HG2       GLU 112   3.842  15.498   2.006
  910   2HG   GLU 112          HG3       GLU 112   3.647  14.410   3.382
  911    H    LYS 113           HN       LYS 113   7.947  14.754   4.638
  912    HA   LYS 113           HA       LYS 113   8.970  17.191   5.743
  913   1HB   LYS 113          HB3       LYS 113   9.857  14.302   5.955
  914   2HB   LYS 113          HB2       LYS 113  10.720  15.608   6.743
  915   1HG   LYS 113          HG2       LYS 113   9.260  14.535   8.339
  916   2HG   LYS 113          HG3       LYS 113   8.655  16.161   8.008
  917   1HD   LYS 113          HD2       LYS 113   7.033  15.212   6.415
  918   2HD   LYS 113          HD3       LYS 113   7.610  13.595   6.808
  919   1HE   LYS 113          HE2       LYS 113   6.472  15.475   8.856
  920   2HE   LYS 113          HE3       LYS 113   5.485  14.329   7.941
  921   1HZ   LYS 113          HZ1       LYS 113   7.770  13.093   9.145
  922   2HZ   LYS 113          HZ2       LYS 113   6.135  12.660   9.222
  923   3HZ   LYS 113          HZ3       LYS 113   6.756  13.821  10.291
  924    H    TYR 114           HN       TYR 114   9.802  14.931   3.277
  925    HA   TYR 114           HA       TYR 114  11.646  14.682   1.903
  926   1HB   TYR 114          HB3       TYR 114   9.714  16.272   1.012
  927   2HB   TYR 114          HB2       TYR 114  11.024  17.451   1.002
  928    HD1  TYR 114           HD1      TYR 114  13.303  16.436  -0.095
  929    HD2  TYR 114           HD2      TYR 114   9.334  15.157  -0.968
  930    HE1  TYR 114           HE1      TYR 114  14.060  15.578  -2.278
  931    HE2  TYR 114           HE2      TYR 114  10.082  14.311  -3.141
  932    HH   TYR 114           HH       TYR 114  11.832  14.646  -4.733
  933    H    ALA 115           HN       ALA 115  13.059  14.998   3.954
  934    HA   ALA 115           HA       ALA 115  14.488  17.390   4.337
  935   1HB   ALA 115          HB1       ALA 115  14.934  14.537   5.106
  936   2HB   ALA 115          HB2       ALA 115  16.227  15.716   5.341
  937   3HB   ALA 115          HB3       ALA 115  14.672  15.954   6.128
  938    H    ALA 116           HN       ALA 116  15.562  14.379   2.777
  939    HA   ALA 116           HA       ALA 116  17.495  15.964   1.220
  940   1HB   ALA 116          HB1       ALA 116  17.615  13.295   2.481
  941   2HB   ALA 116          HB2       ALA 116  18.397  13.460   0.909
  942   3HB   ALA 116          HB3       ALA 116  18.886  14.500   2.250
  943    H    GLU 117           HN       GLU 117  17.822  15.361  -1.008
  944    HA   GLU 117           HA       GLU 117  15.330  14.505  -2.244
  945   1HB   GLU 117          HB3       GLU 117  17.901  15.538  -3.442
  946   2HB   GLU 117          HB2       GLU 117  16.483  15.083  -4.377
  947   1HG   GLU 117          HG2       GLU 117  15.183  16.821  -3.329
  948   2HG   GLU 117          HG3       GLU 117  16.534  17.225  -2.271
  949    H    ARG 118           HN       ARG 118  15.809  12.375  -1.149
  950    HA   ARG 118           HA       ARG 118  16.886  10.591  -3.157
  951   1HB   ARG 118          HB2       ARG 118  18.623  11.368  -1.308
  952   2HB   ARG 118          HB3       ARG 118  17.774  10.178  -0.333
  953   1HG   ARG 118          HG3       ARG 118  18.308   8.442  -1.951
  954   2HG   ARG 118          HG2       ARG 118  19.128   9.633  -2.967
  955   1HD   ARG 118          HD2       ARG 118  19.901   8.745  -0.195
  956   2HD   ARG 118          HD3       ARG 118  20.795   8.485  -1.691
  957    HE   ARG 118           HE       ARG 118  20.525  11.220  -1.447
  958   1HH1  ARG 118          HH11      ARG 118  21.776   9.463   1.546
  959   2HH1  ARG 118          HH12      ARG 118  23.071   9.038   0.459
  960   1HH2  ARG 118          HH21      ARG 118  21.996  12.448   0.608
  961   2HH2  ARG 118          HH22      ARG 118  23.165  12.070  -0.616
  962    H    ASP 119           HN       ASP 119  16.136  10.269   0.283
  963    HA   ASP 119           HA       ASP 119  13.497   9.484  -0.055
  964   1HB   ASP 119          HB3       ASP 119  13.654   7.210   0.227
  965   2HB   ASP 119          HB2       ASP 119  14.789   7.552  -1.048
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1  20.526  11.862  13.842
    2   2H    MET   1          HT2       MET   1  22.003  11.205  14.439
    3   3H    MET   1          HT3       MET   1  20.611  11.262  15.447
    4    HA   MET   1           HA       MET   1  21.349   9.109  14.227
    5   1HB   MET   1          HB2       MET   1  19.051   8.372  14.444
    6   2HB   MET   1          HB3       MET   1  19.425   9.468  15.764
    7   1HG   MET   1          HG2       MET   1  18.263  11.279  14.569
    8   2HG   MET   1          HG3       MET   1  17.850  10.152  13.282
    9   1HE   MET   1          HE1       MET   1  16.376   9.600  17.612
   10   2HE   MET   1          HE2       MET   1  18.060   9.698  17.089
   11   3HE   MET   1          HE3       MET   1  17.059  11.149  17.112
   12    H    GLY   2           HN       GLY   2  20.559   7.849  12.332
   13   1HA   GLY   2          HA1       GLY   2  19.349   9.187  10.128
   14   2HA   GLY   2          HA2       GLY   2  21.092   9.140   9.930
   15    H    ASP   3           HN       ASP   3  18.208   7.149  10.316
   16    HA   ASP   3           HA       ASP   3  19.619   4.724   9.638
   17   1HB   ASP   3          HB2       ASP   3  17.282   3.734   9.617
   18   2HB   ASP   3          HB3       ASP   3  17.807   4.421  11.149
   19    H    THR   4           HN       THR   4  20.504   5.140   7.602
   20    HA   THR   4           HA       THR   4  18.814   5.993   5.442
   21    HB   THR   4           HB       THR   4  21.640   4.931   5.322
   22    HG1  THR   4           HG1      THR   4  22.030   6.653   6.468
   23   1HG2  THR   4          HG21      THR   4  21.885   5.850   3.256
   24   2HG2  THR   4          HG22      THR   4  20.563   6.998   3.476
   25   3HG2  THR   4          HG23      THR   4  20.211   5.298   3.170
   26    H    GLY   5           HN       GLY   5  17.381   4.644   4.585
   27   1HA   GLY   5          HA1       GLY   5  18.353   2.073   3.608
   28   2HA   GLY   5          HA2       GLY   5  17.024   2.015   4.759
   29    H    LYS   6           HN       LYS   6  17.577   1.734   1.620
   30    HA   LYS   6           HA       LYS   6  15.506   3.471   0.600
   31   1HB   LYS   6          HB3       LYS   6  17.417   1.507  -0.593
   32   2HB   LYS   6          HB2       LYS   6  15.954   1.877  -1.495
   33   1HG   LYS   6          HG2       LYS   6  17.748   3.308  -2.249
   34   2HG   LYS   6          HG3       LYS   6  16.546   4.281  -1.408
   35   1HD   LYS   6          HD3       LYS   6  18.030   3.962   0.666
   36   2HD   LYS   6          HD2       LYS   6  19.277   3.449  -0.469
   37   1HE   LYS   6          HE3       LYS   6  19.588   5.784  -0.067
   38   2HE   LYS   6          HE2       LYS   6  18.918   5.604  -1.689
   39   1HZ   LYS   6          HZ1       LYS   6  16.772   6.237  -0.905
   40   2HZ   LYS   6          HZ2       LYS   6  17.878   7.399  -0.363
   41   3HZ   LYS   6          HZ3       LYS   6  17.286   6.231   0.712
   42    H    LEU   7           HN       LEU   7  15.902   0.255   1.694
   43    HA   LEU   7           HA       LEU   7  13.038  -0.279   1.277
   44   1HB   LEU   7          HB2       LEU   7  14.664  -1.658  -0.152
   45   2HB   LEU   7          HB3       LEU   7  15.191  -2.390   1.352
   46    HG   LEU   7           HG       LEU   7  12.799  -3.122   1.712
   47   1HD1  LEU   7          HD11      LEU   7  11.267  -2.159   0.424
   48   2HD1  LEU   7          HD12      LEU   7  12.466  -1.603  -0.738
   49   3HD1  LEU   7          HD13      LEU   7  11.821  -3.240  -0.858
   50   1HD2  LEU   7          HD21      LEU   7  12.985  -4.774  -0.378
   51   2HD2  LEU   7          HD22      LEU   7  14.628  -4.132  -0.388
   52   3HD2  LEU   7          HD23      LEU   7  14.005  -4.924   1.058
   53    H    GLY   8           HN       GLY   8  14.643  -2.760   2.902
   54   1HA   GLY   8          HA1       GLY   8  14.728  -3.381   5.115
   55   2HA   GLY   8          HA2       GLY   8  15.099  -1.695   5.431
   56    H    ARG   9           HN       ARG   9  12.100  -1.864   3.926
   57    HA   ARG   9           HA       ARG   9   9.971  -1.502   4.666
   58   1HB   ARG   9          HB2       ARG   9  10.899  -3.173   7.004
   59   2HB   ARG   9          HB3       ARG   9   9.226  -2.807   6.603
   60   1HG   ARG   9          HG3       ARG   9   9.245  -4.171   4.720
   61   2HG   ARG   9          HG2       ARG   9  11.004  -4.111   4.597
   62   1HD   ARG   9          HD2       ARG   9  11.128  -5.449   6.694
   63   2HD   ARG   9          HD3       ARG   9   9.374  -5.640   6.607
   64    HE   ARG   9           HE       ARG   9  10.492  -6.395   4.145
   65   1HH1  ARG   9          HH12      ARG   9   9.235  -8.589   6.887
   66   2HH1  ARG   9          HH11      ARG   9  10.861  -8.290   7.456
   67   1HH2  ARG   9          HH21      ARG   9  11.525  -8.834   4.024
   68   2HH2  ARG   9          HH22      ARG   9   9.928  -9.443   4.369
   69    H    ILE  10           HN       ILE  10  11.130   0.663   4.847
   70    HA   ILE  10           HA       ILE  10  11.650   1.781   7.405
   71    HB   ILE  10           HB       ILE  10  12.703   2.754   5.469
   72   1HG1  ILE  10          HG12      ILE  10  12.003   5.151   5.678
   73   2HG1  ILE  10          HG13      ILE  10  10.655   4.626   6.685
   74   1HG2  ILE  10          HG21      ILE  10  10.497   4.099   4.231
   75   2HG2  ILE  10          HG22      ILE  10  11.714   3.035   3.526
   76   3HG2  ILE  10          HG23      ILE  10  10.251   2.356   4.231
   77   1HD1  ILE  10          HD11      ILE  10  12.477   5.393   8.066
   78   2HD1  ILE  10          HD12      ILE  10  12.253   3.652   8.261
   79   3HD1  ILE  10          HD13      ILE  10  13.568   4.258   7.268
   80    H    ILE  11           HN       ILE  11   8.751   1.892   5.261
   81    HA   ILE  11           HA       ILE  11   7.409   3.476   7.305
   82    HB   ILE  11           HB       ILE  11   6.240   2.496   4.696
   83   1HG1  ILE  11          HG13      ILE  11   7.655   5.094   5.303
   84   2HG1  ILE  11          HG12      ILE  11   8.211   3.812   4.234
   85   1HG2  ILE  11          HG21      ILE  11   5.387   4.636   6.626
   86   2HG2  ILE  11          HG22      ILE  11   4.724   4.430   5.001
   87   3HG2  ILE  11          HG23      ILE  11   4.533   3.148   6.194
   88   1HD1  ILE  11          HD11      ILE  11   7.368   5.137   2.673
   89   2HD1  ILE  11          HD12      ILE  11   5.864   4.305   3.097
   90   3HD1  ILE  11          HD13      ILE  11   6.218   5.906   3.767
   91    H    ARG  12           HN       ARG  12   5.491   1.228   5.485
   92    HA   ARG  12           HA       ARG  12   5.436  -0.757   7.592
   93   1HB   ARG  12          HB2       ARG  12   3.967   1.197   8.322
   94   2HB   ARG  12          HB3       ARG  12   2.903   0.765   6.991
   95   1HG   ARG  12          HG2       ARG  12   2.437  -1.379   7.968
   96   2HG   ARG  12          HG3       ARG  12   3.641  -1.105   9.230
   97   1HD   ARG  12          HD3       ARG  12   1.220   0.646   8.847
   98   2HD   ARG  12          HD2       ARG  12   1.256  -0.746   9.933
   99    HE   ARG  12           HE       ARG  12   3.413   0.728  10.667
  100   1HH1  ARG  12          HH11      ARG  12   0.629   3.040  10.259
  101   2HH1  ARG  12          HH12      ARG  12  -0.222   1.642  10.848
  102   1HH2  ARG  12          HH21      ARG  12   2.620   1.807  13.066
  103   2HH2  ARG  12          HH22      ARG  12   2.407   3.312  12.220
  104    H    HIS  13           HN       HIS  13   3.782  -2.508   7.085
  105    HA   HIS  13           HA       HIS  13   2.863  -2.586   4.359
  106   1HB   HIS  13          HB2       HIS  13   4.095  -4.667   3.775
  107   2HB   HIS  13          HB3       HIS  13   5.145  -3.274   3.970
  108    HD1  HIS  13           HD1      HIS  13   6.521  -5.821   4.043
  109    HD2  HIS  13           HD2      HIS  13   4.822  -4.215   7.474
  110    HE1  HIS  13           HE1      HIS  13   7.695  -6.937   5.964
  111    HE2  HIS  13           HE2      HIS  13   6.551  -6.050   8.042
  112    H    ASP  14           HN       ASP  14   0.856  -2.817   5.318
  113    HA   ASP  14           HA       ASP  14   0.363  -5.338   6.753
  114   1HB   ASP  14          HB2       ASP  14  -1.060  -2.670   6.808
  115   2HB   ASP  14          HB3       ASP  14  -1.811  -4.149   7.430
  116    H    ALA  15           HN       ALA  15  -1.820  -6.332   6.346
  117    HA   ALA  15           HA       ALA  15  -2.211  -6.363   3.452
  118   1HB   ALA  15          HB1       ALA  15  -2.202  -8.401   5.457
  119   2HB   ALA  15          HB2       ALA  15  -3.739  -8.426   4.595
  120   3HB   ALA  15          HB3       ALA  15  -2.226  -8.561   3.701
  121    H    PHE  16           HN       PHE  16  -4.096  -5.852   2.434
  122    HA   PHE  16           HA       PHE  16  -6.367  -5.128   4.163
  123   1HB   PHE  16          HB2       PHE  16  -5.297  -3.561   1.821
  124   2HB   PHE  16          HB3       PHE  16  -6.832  -3.230   2.617
  125    HD1  PHE  16           HD1      PHE  16  -6.506  -3.163   5.335
  126    HD2  PHE  16           HD2      PHE  16  -3.597  -2.160   2.397
  127    HE1  PHE  16           HE1      PHE  16  -5.324  -1.748   6.981
  128    HE2  PHE  16           HE2      PHE  16  -2.415  -0.761   4.039
  129    HZ   PHE  16           HZ       PHE  16  -3.278  -0.553   6.326
  130    H    GLN  17           HN       GLN  17  -7.981  -6.399   3.757
  131    HA   GLN  17           HA       GLN  17  -8.353  -7.679   1.205
  132   1HB   GLN  17          HB3       GLN  17  -8.802  -8.922   3.240
  133   2HB   GLN  17          HB2       GLN  17  -9.961  -7.713   3.766
  134   1HG   GLN  17          HG2       GLN  17 -11.425  -8.316   1.905
  135   2HG   GLN  17          HG3       GLN  17 -10.244  -9.519   1.378
  136   1HE2  GLN  17          HE21      GLN  17 -10.990 -11.450   1.807
  137   2HE2  GLN  17          HE22      GLN  17 -11.490 -11.976   3.388
  138    H    VAL  18           HN       VAL  18  -9.239  -6.530  -0.448
  139    HA   VAL  18           HA       VAL  18 -11.542  -4.802   0.179
  140    HB   VAL  18           HB       VAL  18  -9.925  -3.763  -1.997
  141   1HG1  VAL  18          HG21      VAL  18 -10.204  -1.671  -0.525
  142   2HG1  VAL  18          HG22      VAL  18 -11.660  -2.404  -1.201
  143   3HG1  VAL  18          HG23      VAL  18 -11.235  -2.680   0.485
  144   1HG2  VAL  18          HG11      VAL  18  -8.479  -2.780   0.155
  145   2HG2  VAL  18          HG12      VAL  18  -8.558  -4.521   0.434
  146   3HG2  VAL  18          HG13      VAL  18  -7.892  -3.897  -1.078
  147    H    TRP  19           HN       TRP  19 -11.484  -3.779  -2.568
  148    HA   TRP  19           HA       TRP  19 -12.666  -6.083  -3.935
  149   1HB   TRP  19          HB2       TRP  19 -13.248  -3.129  -4.093
  150   2HB   TRP  19          HB3       TRP  19 -14.004  -4.335  -5.134
  151    HD1  TRP  19           HD1      TRP  19 -15.571  -6.178  -3.890
  152    HE1  TRP  19           HE1      TRP  19 -17.018  -5.980  -1.786
  153    HE3  TRP  19           HE3      TRP  19 -13.374  -2.031  -1.797
  154    HZ2  TRP  19           HZ2      TRP  19 -17.264  -4.237   0.429
  155    HZ3  TRP  19           HZ3      TRP  19 -14.317  -1.158   0.298
  156    HH2  TRP  19           HH2      TRP  19 -16.200  -2.254   1.393
  157    H    GLU  20           HN       GLU  20 -10.792  -3.197  -4.365
  158    HA   GLU  20           HA       GLU  20  -9.104  -2.596  -5.744
  159   1HB   GLU  20          HB2       GLU  20  -9.112  -5.432  -6.776
  160   2HB   GLU  20          HB3       GLU  20  -7.805  -4.252  -6.878
  161   1HG   GLU  20          HG2       GLU  20  -7.139  -4.594  -4.768
  162   2HG   GLU  20          HG3       GLU  20  -8.780  -4.879  -4.177
  163    H    GLY  21           HN       GLY  21 -10.774  -1.310  -6.794
  164   1HA   GLY  21          HA2       GLY  21 -11.553  -0.391  -8.757
  165   2HA   GLY  21          HA1       GLY  21 -10.705  -1.660  -9.619
  166    H    ASP  22           HN       ASP  22 -12.271  -2.131 -11.071
  167    HA   ASP  22           HA       ASP  22 -14.962  -2.773 -10.136
  168   1HB   ASP  22          HB3       ASP  22 -13.759  -2.549 -12.910
  169   2HB   ASP  22          HB2       ASP  22 -15.417  -3.061 -12.615
  170    H    GLU  23           HN       GLU  23 -13.259  -4.435  -9.054
  171    HA   GLU  23           HA       GLU  23 -13.571  -6.969 -10.542
  172   1HB   GLU  23          HB3       GLU  23 -11.326  -6.170  -8.671
  173   2HB   GLU  23          HB2       GLU  23 -11.522  -7.759  -9.390
  174   1HG   GLU  23          HG2       GLU  23 -11.253  -6.741 -11.621
  175   2HG   GLU  23          HG3       GLU  23 -10.938  -5.192 -10.842
  176    HA   PRO  24           HA       PRO  24 -15.723  -8.539  -6.983
  177   1HB   PRO  24          HB2       PRO  24 -14.065 -10.989  -7.078
  178   2HB   PRO  24          HB3       PRO  24 -15.808 -10.815  -7.309
  179   1HG   PRO  24          HG3       PRO  24 -14.158 -11.389  -9.355
  180   2HG   PRO  24          HG2       PRO  24 -15.604 -10.380  -9.575
  181   1HD   PRO  24          HD3       PRO  24 -12.734  -9.574  -9.320
  182   2HD   PRO  24          HD2       PRO  24 -13.995  -8.916 -10.379
  183    HA   PRO  25           HA       PRO  25 -13.214  -7.708  -3.454
  184   1HB   PRO  25          HB2       PRO  25 -14.517  -9.939  -2.008
  185   2HB   PRO  25          HB3       PRO  25 -14.435  -8.225  -1.602
  186   1HG   PRO  25          HG3       PRO  25 -16.703  -9.333  -2.525
  187   2HG   PRO  25          HG2       PRO  25 -16.229  -7.692  -2.994
  188   1HD   PRO  25          HD3       PRO  25 -16.012 -10.244  -4.536
  189   2HD   PRO  25          HD2       PRO  25 -16.472  -8.626  -5.091
  190    H    LYS  26           HN       LYS  26 -11.232  -8.184  -2.967
  191    HA   LYS  26           HA       LYS  26 -10.318 -10.948  -2.991
  192   1HB   LYS  26          HB2       LYS  26  -9.634  -8.839  -4.853
  193   2HB   LYS  26          HB3       LYS  26  -8.224  -9.582  -4.117
  194   1HG   LYS  26          HG2       LYS  26  -8.823 -11.716  -4.930
  195   2HG   LYS  26          HG3       LYS  26 -10.427 -11.162  -5.409
  196   1HD   LYS  26          HD2       LYS  26  -7.974  -9.929  -6.596
  197   2HD   LYS  26          HD3       LYS  26  -8.583 -11.465  -7.214
  198   1HE   LYS  26          HE2       LYS  26  -9.546  -9.843  -8.593
  199   2HE   LYS  26          HE3       LYS  26 -10.826 -10.303  -7.478
  200   1HZ   LYS  26          HZ1       LYS  26  -9.252  -8.103  -6.534
  201   2HZ   LYS  26          HZ2       LYS  26 -10.942  -8.253  -6.656
  202   3HZ   LYS  26          HZ3       LYS  26 -10.030  -7.773  -8.003
  203    H    LEU  27           HN       LEU  27  -7.530  -9.937  -2.813
  204    HA   LEU  27           HA       LEU  27  -7.458  -8.478  -0.301
  205   1HB   LEU  27          HB3       LEU  27  -7.538 -11.199  -0.206
  206   2HB   LEU  27          HB2       LEU  27  -5.807 -10.933  -0.284
  207    HG   LEU  27           HG       LEU  27  -7.661  -9.732   1.797
  208   1HD1  LEU  27          HD11      LEU  27  -7.230 -12.299   1.743
  209   2HD1  LEU  27          HD12      LEU  27  -5.646 -11.845   2.367
  210   3HD1  LEU  27          HD13      LEU  27  -7.102 -11.414   3.262
  211   1HD2  LEU  27          HD21      LEU  27  -5.118  -8.930   1.043
  212   2HD2  LEU  27          HD22      LEU  27  -5.949  -8.536   2.545
  213   3HD2  LEU  27          HD23      LEU  27  -4.857  -9.918   2.479
  214    H    ARG  28           HN       ARG  28  -5.445  -7.417   0.011
  215    HA   ARG  28           HA       ARG  28  -3.240  -8.022  -1.808
  216   1HB   ARG  28          HB3       ARG  28  -4.685  -5.370  -1.731
  217   2HB   ARG  28          HB2       ARG  28  -3.067  -5.558  -2.383
  218   1HG   ARG  28          HG3       ARG  28  -5.436  -7.086  -3.441
  219   2HG   ARG  28          HG2       ARG  28  -4.935  -5.515  -4.072
  220   1HD   ARG  28          HD2       ARG  28  -2.688  -6.489  -4.528
  221   2HD   ARG  28          HD3       ARG  28  -3.310  -8.055  -4.013
  222    HE   ARG  28           HE       ARG  28  -3.662  -6.824  -6.564
  223   1HH1  ARG  28          HH11      ARG  28  -6.429  -8.353  -4.785
  224   2HH1  ARG  28          HH12      ARG  28  -5.304  -9.677  -4.717
  225   1HH2  ARG  28          HH21      ARG  28  -5.984  -7.813  -7.808
  226   2HH2  ARG  28          HH22      ARG  28  -4.775  -9.039  -8.023
  227    H    TYR  29           HN       TYR  29  -1.415  -8.065  -0.485
  228    HA   TYR  29           HA       TYR  29  -1.474  -6.618   2.032
  229   1HB   TYR  29          HB2       TYR  29   1.168  -7.476   0.953
  230   2HB   TYR  29          HB3       TYR  29   0.570  -7.492   2.596
  231    HD1  TYR  29           HD1      TYR  29   0.304  -9.353  -0.611
  232    HD2  TYR  29           HD2      TYR  29  -0.001  -9.452   3.626
  233    HE1  TYR  29           HE1      TYR  29   0.179 -11.803  -0.698
  234    HE2  TYR  29           HE2      TYR  29  -0.146 -11.914   3.558
  235    HH   TYR  29           HH       TYR  29  -0.297 -13.753   2.201
  236    H    VAL  30           HN       VAL  30  -0.906  -4.497   2.201
  237    HA   VAL  30           HA       VAL  30   0.305  -3.230  -0.164
  238    HB   VAL  30           HB       VAL  30  -1.194  -1.962   2.141
  239   1HG1  VAL  30          HG21      VAL  30  -1.068   0.078   1.019
  240   2HG1  VAL  30          HG22      VAL  30   0.546  -0.607   0.797
  241   3HG1  VAL  30          HG23      VAL  30  -0.633  -0.680  -0.508
  242   1HG2  VAL  30          HG11      VAL  30  -2.916  -1.618   0.250
  243   2HG2  VAL  30          HG12      VAL  30  -2.048  -2.921  -0.568
  244   3HG2  VAL  30          HG13      VAL  30  -2.796  -3.206   1.002
  245    H    PHE  31           HN       PHE  31   2.389  -2.926  -0.067
  246    HA   PHE  31           HA       PHE  31   3.694  -2.379   2.519
  247   1HB   PHE  31          HB2       PHE  31   5.294  -3.061   0.083
  248   2HB   PHE  31          HB3       PHE  31   5.592  -3.478   1.766
  249    HD1  PHE  31           HD1      PHE  31   3.812  -5.193   2.767
  250    HD2  PHE  31           HD2      PHE  31   4.781  -4.725  -1.349
  251    HE1  PHE  31           HE1      PHE  31   3.058  -7.486   2.323
  252    HE2  PHE  31           HE2      PHE  31   4.013  -7.012  -1.798
  253    HZ   PHE  31           HZ       PHE  31   3.154  -8.401   0.042
  254    H    LEU  32           HN       LEU  32   4.246  -0.294   2.826
  255    HA   LEU  32           HA       LEU  32   4.831   1.273   0.422
  256   1HB   LEU  32          HB2       LEU  32   4.657   2.921   2.752
  257   2HB   LEU  32          HB3       LEU  32   3.778   3.018   1.233
  258    HG   LEU  32           HG       LEU  32   2.917   1.124   3.410
  259   1HD1  LEU  32          HD11      LEU  32   3.130   3.750   3.919
  260   2HD1  LEU  32          HD12      LEU  32   1.552   3.714   3.130
  261   3HD1  LEU  32          HD13      LEU  32   1.844   2.729   4.560
  262   1HD2  LEU  32          HD21      LEU  32   0.791   2.280   1.975
  263   2HD2  LEU  32          HD22      LEU  32   2.004   1.816   0.786
  264   3HD2  LEU  32          HD23      LEU  32   1.371   0.614   1.910
  265    H    PHE  33           HN       PHE  33   6.771   2.138   0.123
  266    HA   PHE  33           HA       PHE  33   8.648   2.170   2.385
  267   1HB   PHE  33          HB2       PHE  33   9.400   1.289  -0.411
  268   2HB   PHE  33          HB3       PHE  33  10.466   1.362   0.988
  269    HD1  PHE  33           HD1      PHE  33   7.667  -0.461  -0.558
  270    HD2  PHE  33           HD2      PHE  33  10.506  -0.380   2.615
  271    HE1  PHE  33           HE1      PHE  33   7.126  -2.798  -0.026
  272    HE2  PHE  33           HE2      PHE  33   9.965  -2.722   3.160
  273    HZ   PHE  33           HZ       PHE  33   8.279  -3.936   1.838
  274    H    ARG  34           HN       ARG  34  10.755   3.468   1.468
  275    HA   ARG  34           HA       ARG  34   9.597   5.981   0.642
  276   1HB   ARG  34          HB2       ARG  34  11.410   5.700   2.411
  277   2HB   ARG  34          HB3       ARG  34  12.522   5.438   1.071
  278   1HG   ARG  34          HG2       ARG  34  10.904   7.805   0.671
  279   2HG   ARG  34          HG3       ARG  34  11.809   7.863   2.186
  280   1HD   ARG  34          HD3       ARG  34  13.791   8.041   1.157
  281   2HD   ARG  34          HD2       ARG  34  13.360   6.875  -0.089
  282    HE   ARG  34           HE       ARG  34  11.900   9.125  -0.705
  283   1HH1  ARG  34          HH12      ARG  34  15.483   9.226  -0.052
  284   2HH1  ARG  34          HH11      ARG  34  15.504   8.464  -1.613
  285   1HH2  ARG  34          HH22      ARG  34  12.870  10.294  -2.756
  286   2HH2  ARG  34          HH21      ARG  34  14.054  11.316  -1.990
  287    H    ASN  35           HN       ASN  35   8.986   4.572  -1.285
  288    HA   ASN  35           HA       ASN  35  10.544   5.453  -3.542
  289   1HB   ASN  35          HB3       ASN  35  10.216   2.521  -2.889
  290   2HB   ASN  35          HB2       ASN  35  10.389   3.074  -4.552
  291   1HD2  ASN  35          HD21      ASN  35  12.018   1.742  -2.145
  292   2HD2  ASN  35          HD22      ASN  35  13.572   2.465  -2.297
  293    H    LYS  36           HN       LYS  36   8.110   2.932  -2.897
  294    HA   LYS  36           HA       LYS  36   6.021   4.566  -4.071
  295   1HB   LYS  36          HB2       LYS  36   5.403   2.856  -5.737
  296   2HB   LYS  36          HB3       LYS  36   6.994   3.528  -6.024
  297   1HG   LYS  36          HG2       LYS  36   7.969   1.521  -4.906
  298   2HG   LYS  36          HG3       LYS  36   6.335   0.854  -4.841
  299   1HD   LYS  36          HD3       LYS  36   7.493  -0.006  -6.796
  300   2HD   LYS  36          HD2       LYS  36   6.157   1.039  -7.279
  301   1HE   LYS  36          HE2       LYS  36   7.707   2.873  -7.694
  302   2HE   LYS  36          HE3       LYS  36   9.055   1.871  -7.151
  303   1HZ   LYS  36          HZ1       LYS  36   8.837   0.468  -9.016
  304   2HZ   LYS  36          HZ2       LYS  36   8.735   2.047  -9.621
  305   3HZ   LYS  36          HZ3       LYS  36   7.332   1.116  -9.448
  306    H    ILE  37           HN       ILE  37   4.300   2.205  -4.485
  307    HA   ILE  37           HA       ILE  37   4.025   1.172  -1.753
  308    HB   ILE  37           HB       ILE  37   1.737   2.378  -3.347
  309   1HG1  ILE  37          HG13      ILE  37   2.992   3.225  -0.726
  310   2HG1  ILE  37          HG12      ILE  37   3.118   4.070  -2.264
  311   1HG2  ILE  37          HG21      ILE  37   0.401   1.857  -1.277
  312   2HG2  ILE  37          HG22      ILE  37   0.892   0.452  -2.233
  313   3HG2  ILE  37          HG23      ILE  37   1.752   0.857  -0.744
  314   1HD1  ILE  37          HD11      ILE  37   1.502   5.197  -0.891
  315   2HD1  ILE  37          HD12      ILE  37   0.655   4.408  -2.219
  316   3HD1  ILE  37          HD13      ILE  37   0.634   3.687  -0.611
  317    H    MET  38           HN       MET  38   4.494  -0.926  -2.275
  318    HA   MET  38           HA       MET  38   3.319  -2.076  -4.689
  319   1HB   MET  38          HB2       MET  38   5.747  -2.434  -3.991
  320   2HB   MET  38          HB3       MET  38   5.125  -3.434  -2.693
  321   1HG   MET  38          HG3       MET  38   4.236  -5.023  -4.209
  322   2HG   MET  38          HG2       MET  38   4.561  -3.979  -5.590
  323   1HE   MET  38          HE1       MET  38   5.934  -7.269  -5.458
  324   2HE   MET  38          HE2       MET  38   5.328  -6.061  -6.589
  325   3HE   MET  38          HE3       MET  38   7.029  -6.520  -6.619
  326    H    PHE  39           HN       PHE  39   1.755  -3.627  -4.695
  327    HA   PHE  39           HA       PHE  39   0.903  -4.836  -2.193
  328   1HB   PHE  39          HB2       PHE  39  -1.359  -4.066  -2.306
  329   2HB   PHE  39          HB3       PHE  39  -0.327  -2.646  -2.419
  330    HD1  PHE  39           HD1      PHE  39   0.303  -1.993  -4.919
  331    HD2  PHE  39           HD2      PHE  39  -3.139  -4.200  -3.746
  332    HE1  PHE  39           HE1      PHE  39  -0.828  -1.315  -6.993
  333    HE2  PHE  39           HE2      PHE  39  -4.275  -3.541  -5.823
  334    HZ   PHE  39           HZ       PHE  39  -3.114  -2.092  -7.462
  335    H    THR  40           HN       THR  40   0.113  -6.839  -2.485
  336    HA   THR  40           HA       THR  40  -1.331  -7.691  -4.723
  337    HB   THR  40           HB       THR  40   0.693  -7.522  -5.981
  338    HG1  THR  40           HG1      THR  40   0.983  -9.859  -6.453
  339   1HG2  THR  40          HG21      THR  40   1.950  -8.810  -3.657
  340   2HG2  THR  40          HG22      THR  40   2.610  -7.663  -4.823
  341   3HG2  THR  40          HG23      THR  40   2.492  -9.373  -5.236
  342    H    GLU  41           HN       GLU  41  -2.509  -9.284  -4.106
  343    HA   GLU  41           HA       GLU  41  -1.551 -11.555  -2.690
  344   1HB   GLU  41          HB3       GLU  41  -1.906  -9.950  -0.793
  345   2HB   GLU  41          HB2       GLU  41  -3.601  -9.859  -1.254
  346   1HG   GLU  41          HG3       GLU  41  -3.937 -12.161  -0.736
  347   2HG   GLU  41          HG2       GLU  41  -2.213 -12.437  -0.539
  348    H    GLN  42           HN       GLN  42  -3.639 -12.942  -2.129
  349    HA   GLN  42           HA       GLN  42  -5.568 -12.627  -4.326
  350   1HB   GLN  42          HB2       GLN  42  -3.554 -14.443  -4.187
  351   2HB   GLN  42          HB3       GLN  42  -4.893 -15.350  -3.501
  352   1HG   GLN  42          HG2       GLN  42  -4.764 -14.100  -6.220
  353   2HG   GLN  42          HG3       GLN  42  -4.782 -15.816  -5.826
  354   1HE2  GLN  42          HE21      GLN  42  -6.697 -16.807  -5.276
  355   2HE2  GLN  42          HE22      GLN  42  -8.247 -16.008  -5.341
  356    H    ASP  43           HN       ASP  43  -7.565 -13.373  -3.929
  357    HA   ASP  43           HA       ASP  43  -8.246 -14.703  -1.472
  358   1HB   ASP  43          HB2       ASP  43  -8.087 -12.272  -0.815
  359   2HB   ASP  43          HB3       ASP  43  -9.438 -11.965  -1.905
  360    H    ALA  44           HN       ALA  44  -9.589 -16.214  -2.192
  361    HA   ALA  44           HA       ALA  44 -11.259 -17.288  -3.298
  362   1HB   ALA  44          HB1       ALA  44 -12.572 -15.672  -1.961
  363   2HB   ALA  44          HB2       ALA  44 -12.586 -14.579  -3.351
  364   3HB   ALA  44          HB3       ALA  44 -13.374 -16.158  -3.459
  365    H    SER  45           HN       SER  45 -13.007 -16.624  -5.282
  366    HA   SER  45           HA       SER  45 -13.267 -16.447  -7.507
  367   1HB   SER  45          HB3       SER  45 -10.855 -14.615  -7.433
  368   2HB   SER  45          HB2       SER  45 -12.029 -14.743  -8.743
  369    HG   SER  45           HG       SER  45 -12.193 -13.358  -6.388
  370    H    THR  46           HN       THR  46  -9.735 -16.355  -7.197
  371    HA   THR  46           HA       THR  46  -9.554 -18.563  -9.116
  372    HB   THR  46           HB       THR  46  -6.980 -17.862  -8.745
  373    HG1  THR  46           HG1      THR  46  -7.083 -16.194  -7.424
  374   1HG2  THR  46          HG21      THR  46  -7.897 -15.857 -10.461
  375   2HG2  THR  46          HG22      THR  46  -9.008 -17.210 -10.663
  376   3HG2  THR  46          HG23      THR  46  -7.276 -17.449 -10.898
  377    H    SER  47           HN       SER  47 -10.549 -19.231  -6.724
  378    HA   SER  47           HA       SER  47 -10.541 -20.771  -5.141
  379   1HB   SER  47          HB3       SER  47  -8.133 -21.850  -6.576
  380   2HB   SER  47          HB2       SER  47  -9.162 -22.739  -5.448
  381    HG   SER  47           HG       SER  47 -10.939 -22.088  -6.952
  382    HA   PRO  48           HA       PRO  48  -7.122 -20.538  -2.046
  383   1HB   PRO  48          HB2       PRO  48  -4.502 -20.675  -2.568
  384   2HB   PRO  48          HB3       PRO  48  -5.530 -22.109  -2.576
  385   1HG   PRO  48          HG3       PRO  48  -4.540 -20.482  -4.882
  386   2HG   PRO  48          HG2       PRO  48  -4.604 -22.246  -4.697
  387   1HD   PRO  48          HD3       PRO  48  -6.468 -20.826  -6.083
  388   2HD   PRO  48          HD2       PRO  48  -6.819 -22.349  -5.247
  389    HA   PRO  49           HA       PRO  49  -5.980 -16.260  -1.972
  390   1HB   PRO  49          HB3       PRO  49  -5.036 -16.015   0.501
  391   2HB   PRO  49          HB2       PRO  49  -6.716 -16.502   0.238
  392   1HG   PRO  49          HG2       PRO  49  -4.324 -18.193   0.874
  393   2HG   PRO  49          HG3       PRO  49  -5.953 -18.254   1.581
  394   1HD   PRO  49          HD3       PRO  49  -5.089 -19.923  -0.429
  395   2HD   PRO  49          HD2       PRO  49  -6.794 -19.509  -0.142
  396    H    SER  50           HN       SER  50  -3.991 -14.893  -1.117
  397    HA   SER  50           HA       SER  50  -1.810 -14.254  -1.408
  398   1HB   SER  50          HB3       SER  50  -1.499 -16.536  -0.123
  399   2HB   SER  50          HB2       SER  50  -0.882 -17.086  -1.686
  400    HG   SER  50           HG       SER  50   0.110 -15.050   0.002
  401    H    TYR  51           HN       TYR  51  -1.467 -13.301  -3.274
  402    HA   TYR  51           HA       TYR  51  -2.116 -14.648  -5.735
  403   1HB   TYR  51          HB2       TYR  51  -2.631 -12.223  -5.137
  404   2HB   TYR  51          HB3       TYR  51  -0.939 -11.883  -5.465
  405    HD1  TYR  51           HD1      TYR  51  -3.727 -13.726  -7.188
  406    HD2  TYR  51           HD2      TYR  51  -0.516 -10.944  -7.503
  407    HE1  TYR  51           HE1      TYR  51  -4.250 -13.388  -9.563
  408    HE2  TYR  51           HE2      TYR  51  -1.040 -10.611  -9.876
  409    HH   TYR  51           HH       TYR  51  -2.234 -12.080 -11.732
  410    H    THR  52           HN       THR  52   0.319 -12.365  -6.136
  411    HA   THR  52           HA       THR  52   2.672 -13.844  -5.818
  412    HB   THR  52           HB       THR  52   1.732 -15.168  -7.722
  413    HG1  THR  52           HG1      THR  52   3.771 -15.376  -8.112
  414   1HG2  THR  52          HG21      THR  52   1.668 -14.178  -9.980
  415   2HG2  THR  52          HG22      THR  52   1.923 -12.585  -9.272
  416   3HG2  THR  52          HG23      THR  52   0.451 -13.494  -8.903
  417    H    HIS  53           HN       HIS  53   4.485 -12.518  -6.317
  418    HA   HIS  53           HA       HIS  53   4.042  -9.753  -6.158
  419   1HB   HIS  53          HB2       HIS  53   6.455  -9.493  -6.572
  420   2HB   HIS  53          HB3       HIS  53   6.136 -10.751  -5.390
  421    HD1  HIS  53           HD1      HIS  53   6.272 -13.316  -6.442
  422    HD2  HIS  53           HD2      HIS  53   8.143 -10.233  -8.533
  423    HE1  HIS  53           HE1      HIS  53   7.906 -14.431  -7.996
  424    HE2  HIS  53           HE2      HIS  53   9.103 -12.545  -9.171
  425    H    TYR  54           HN       TYR  54   3.119  -8.516  -7.705
  426    HA   TYR  54           HA       TYR  54   4.196  -8.551 -10.397
  427   1HB   TYR  54          HB2       TYR  54   2.441 -10.355 -10.317
  428   2HB   TYR  54          HB3       TYR  54   1.257  -9.102  -9.960
  429    HD1  TYR  54           HD1      TYR  54   3.839  -9.997 -12.481
  430    HD2  TYR  54           HD2      TYR  54   0.113  -8.103 -11.727
  431    HE1  TYR  54           HE1      TYR  54   3.548  -9.622 -14.895
  432    HE2  TYR  54           HE2      TYR  54  -0.200  -7.723 -14.135
  433    HH   TYR  54           HH       TYR  54   0.590  -8.718 -16.270
  434    H    SER  55           HN       SER  55   1.247  -7.440  -8.709
  435    HA   SER  55           HA       SER  55   1.274  -4.926 -10.088
  436   1HB   SER  55          HB2       SER  55  -0.709  -4.446  -8.573
  437   2HB   SER  55          HB3       SER  55  -0.876  -5.810  -9.675
  438    HG   SER  55           HG       SER  55  -0.285  -5.898  -6.890
  439    H    SER  56           HN       SER  56   1.451  -2.869  -9.270
  440    HA   SER  56           HA       SER  56   2.199  -2.337  -6.564
  441   1HB   SER  56          HB3       SER  56   4.342  -3.221  -7.490
  442   2HB   SER  56          HB2       SER  56   4.331  -1.924  -8.689
  443    HG   SER  56           HG       SER  56   5.098  -0.641  -7.237
  444    H    ILE  57           HN       ILE  57   2.264  -0.093  -6.103
  445    HA   ILE  57           HA       ILE  57   1.025   1.571  -8.195
  446    HB   ILE  57           HB       ILE  57   0.974   1.709  -5.184
  447   1HG1  ILE  57          HG13      ILE  57  -0.666   0.236  -6.288
  448   2HG1  ILE  57          HG12      ILE  57  -1.440   1.576  -5.449
  449   1HG2  ILE  57          HG21      ILE  57  -0.619   3.781  -6.437
  450   2HG2  ILE  57          HG22      ILE  57   0.550   3.899  -5.116
  451   3HG2  ILE  57          HG23      ILE  57   1.095   3.975  -6.792
  452   1HD1  ILE  57          HD11      ILE  57  -0.956   1.407  -8.416
  453   2HD1  ILE  57          HD12      ILE  57  -2.499   1.168  -7.586
  454   3HD1  ILE  57          HD13      ILE  57  -1.715   2.748  -7.560
  455    H    ARG  58           HN       ARG  58   1.822   3.761  -8.450
  456    HA   ARG  58           HA       ARG  58   4.503   4.230  -7.345
  457   1HB   ARG  58          HB2       ARG  58   5.343   4.982  -9.497
  458   2HB   ARG  58          HB3       ARG  58   4.712   3.356  -9.655
  459   1HG   ARG  58          HG3       ARG  58   2.883   5.577 -10.285
  460   2HG   ARG  58          HG2       ARG  58   4.183   5.224 -11.426
  461   1HD   ARG  58          HD2       ARG  58   2.472   3.016 -10.377
  462   2HD   ARG  58          HD3       ARG  58   1.882   4.040 -11.687
  463    HE   ARG  58           HE       ARG  58   4.374   3.297 -12.513
  464   1HH1  ARG  58          HH12      ARG  58   1.415   1.119 -11.832
  465   2HH1  ARG  58          HH11      ARG  58   2.784   0.111 -11.469
  466   1HH2  ARG  58          HH21      ARG  58   4.786   0.835 -13.523
  467   2HH2  ARG  58          HH22      ARG  58   3.402   1.081 -14.561
  468    H    LEU  59           HN       LEU  59   4.791   6.243  -6.588
  469    HA   LEU  59           HA       LEU  59   2.640   8.135  -6.660
  470   1HB   LEU  59          HB2       LEU  59   5.419   8.229  -5.490
  471   2HB   LEU  59          HB3       LEU  59   4.323   9.588  -5.427
  472    HG   LEU  59           HG       LEU  59   2.706   8.083  -4.179
  473   1HD1  LEU  59          HD11      LEU  59   3.682   5.952  -4.805
  474   2HD1  LEU  59          HD12      LEU  59   5.146   6.347  -3.901
  475   3HD1  LEU  59          HD13      LEU  59   3.610   6.158  -3.053
  476   1HD2  LEU  59          HD21      LEU  59   4.395   8.135  -2.106
  477   2HD2  LEU  59          HD22      LEU  59   5.269   9.191  -3.221
  478   3HD2  LEU  59          HD23      LEU  59   3.613   9.576  -2.759
  479    H    ASP  60           HN       ASP  60   3.322   7.571  -9.123
  480    HA   ASP  60           HA       ASP  60   4.929   9.795 -10.162
  481   1HB   ASP  60          HB3       ASP  60   5.431   7.458 -10.915
  482   2HB   ASP  60          HB2       ASP  60   3.828   7.386 -11.631
  483    H    LYS  61           HN       LYS  61   1.928   8.042 -11.034
  484    HA   LYS  61           HA       LYS  61   0.695  10.678 -11.486
  485   1HB   LYS  61          HB2       LYS  61   0.433   8.324 -13.351
  486   2HB   LYS  61          HB3       LYS  61  -0.398   9.865 -13.511
  487   1HG   LYS  61          HG2       LYS  61   1.956  10.890 -13.614
  488   2HG   LYS  61          HG3       LYS  61   2.493   9.238 -13.954
  489   1HD   LYS  61          HD2       LYS  61   0.537  10.900 -15.526
  490   2HD   LYS  61          HD3       LYS  61   2.104  10.296 -16.052
  491   1HE   LYS  61          HE3       LYS  61   1.271   8.015 -15.983
  492   2HE   LYS  61          HE2       LYS  61  -0.278   8.588 -15.374
  493   1HZ   LYS  61          HZ1       LYS  61  -0.400   8.155 -17.740
  494   2HZ   LYS  61          HZ2       LYS  61   0.880   9.225 -18.029
  495   3HZ   LYS  61          HZ3       LYS  61  -0.603   9.814 -17.443
  496    H    TYR  62           HN       TYR  62   0.157   9.517  -9.187
  497    HA   TYR  62           HA       TYR  62  -2.597   8.613  -9.588
  498   1HB   TYR  62          HB3       TYR  62  -2.442   6.697  -8.376
  499   2HB   TYR  62          HB2       TYR  62  -0.767   6.764  -8.905
  500    HD1  TYR  62           HD1      TYR  62  -3.026   7.378  -6.034
  501    HD2  TYR  62           HD2      TYR  62   0.990   7.080  -7.389
  502    HE1  TYR  62           HE1      TYR  62  -2.257   7.322  -3.704
  503    HE2  TYR  62           HE2      TYR  62   1.772   7.021  -5.059
  504    HH   TYR  62           HH       TYR  62   0.847   7.850  -2.763
  505    H    ASN  63           HN       ASN  63  -4.059   9.236  -7.936
  506    HA   ASN  63           HA       ASN  63  -2.953  11.227  -6.057
  507   1HB   ASN  63          HB2       ASN  63  -4.351  12.239  -7.807
  508   2HB   ASN  63          HB3       ASN  63  -5.689  11.179  -7.338
  509   1HD2  ASN  63          HD21      ASN  63  -7.169  12.363  -6.316
  510   2HD2  ASN  63          HD22      ASN  63  -6.838  13.664  -5.220
  511    H    ILE  64           HN       ILE  64  -3.077  10.592  -4.058
  512    HA   ILE  64           HA       ILE  64  -4.888   8.419  -3.401
  513    HB   ILE  64           HB       ILE  64  -2.471   8.329  -2.766
  514   1HG1  ILE  64          HG12      ILE  64  -4.255   8.153  -0.340
  515   2HG1  ILE  64          HG13      ILE  64  -4.373   7.018  -1.686
  516   1HG2  ILE  64          HG21      ILE  64  -2.927  10.854  -1.729
  517   2HG2  ILE  64          HG22      ILE  64  -2.757   9.828  -0.307
  518   3HG2  ILE  64          HG23      ILE  64  -1.478   9.870  -1.522
  519   1HD1  ILE  64          HD11      ILE  64  -1.709   7.463  -0.474
  520   2HD1  ILE  64          HD12      ILE  64  -2.883   6.502   0.421
  521   3HD1  ILE  64          HD13      ILE  64  -2.408   6.011  -1.203
  522    H    ARG  65           HN       ARG  65  -6.412   8.462  -1.878
  523    HA   ARG  65           HA       ARG  65  -7.081  10.990  -0.550
  524   1HB   ARG  65          HB3       ARG  65  -8.920   9.316  -2.263
  525   2HB   ARG  65          HB2       ARG  65  -9.483  10.563  -1.159
  526   1HG   ARG  65          HG2       ARG  65  -7.510  11.200  -3.311
  527   2HG   ARG  65          HG3       ARG  65  -9.244  11.138  -3.645
  528   1HD   ARG  65          HD3       ARG  65  -9.604  12.790  -1.845
  529   2HD   ARG  65          HD2       ARG  65  -7.864  12.870  -1.602
  530    HE   ARG  65           HE       ARG  65  -7.810  14.400  -3.274
  531   1HH1  ARG  65          HH11      ARG  65 -11.162  13.156  -3.752
  532   2HH1  ARG  65          HH12      ARG  65 -10.599  12.525  -5.279
  533   1HH2  ARG  65          HH22      ARG  65  -9.021  15.799  -4.940
  534   2HH2  ARG  65          HH21      ARG  65  -9.591  14.772  -6.211
  535    H    GLN  66           HN       GLN  66  -9.403  10.256   0.600
  536    HA   GLN  66           HA       GLN  66  -9.090   7.657   1.861
  537   1HB   GLN  66          HB3       GLN  66  -9.175   8.476   4.133
  538   2HB   GLN  66          HB2       GLN  66  -7.830   9.253   3.322
  539   1HG   GLN  66          HG3       GLN  66 -10.519  10.529   3.805
  540   2HG   GLN  66          HG2       GLN  66  -9.073  10.785   4.779
  541   1HE2  GLN  66          HE21      GLN  66 -10.879  11.949   2.297
  542   2HE2  GLN  66          HE22      GLN  66  -9.722  13.060   1.651
  543    H    HIS  67           HN       HIS  67 -11.001   6.746   2.331
  544    HA   HIS  67           HA       HIS  67 -13.404   8.215   1.534
  545   1HB   HIS  67          HB3       HIS  67 -12.758   5.862   0.713
  546   2HB   HIS  67          HB2       HIS  67 -13.250   5.303   2.293
  547    HD1  HIS  67           HD1      HIS  67 -15.877   6.562   2.818
  548    HD2  HIS  67           HD2      HIS  67 -14.707   5.366  -0.987
  549    HE1  HIS  67           HE1      HIS  67 -18.012   6.234   1.533
  550    HE2  HIS  67           HE2      HIS  67 -17.272   5.310  -0.692
  551    H    THR  68           HN       THR  68 -14.443   9.217   3.127
  552    HA   THR  68           HA       THR  68 -14.324   7.992   5.784
  553    HB   THR  68           HB       THR  68 -15.222  10.824   5.150
  554    HG1  THR  68           HG1      THR  68 -12.608   9.954   5.843
  555   1HG2  THR  68          HG21      THR  68 -15.635   9.815   7.460
  556   2HG2  THR  68          HG22      THR  68 -14.792  11.358   7.374
  557   3HG2  THR  68          HG23      THR  68 -13.885   9.872   7.656
  558    H    THR  69           HN       THR  69 -16.784   9.765   6.413
  559    HA   THR  69           HA       THR  69 -19.027   9.581   6.486
  560    HB   THR  69           HB       THR  69 -18.792   8.185   3.813
  561    HG1  THR  69           HG1      THR  69 -18.220  10.692   4.494
  562   1HG2  THR  69          HG21      THR  69 -21.053   8.788   5.425
  563   2HG2  THR  69          HG22      THR  69 -20.991   8.051   3.826
  564   3HG2  THR  69          HG23      THR  69 -21.079   9.808   3.987
  565    H    ASP  70           HN       ASP  70 -18.828   8.205   8.267
  566    HA   ASP  70           HA       ASP  70 -19.694   6.429   9.448
  567   1HB   ASP  70          HB3       ASP  70 -20.988   5.756   7.316
  568   2HB   ASP  70          HB2       ASP  70 -19.641   4.660   7.015
  569    H    GLU  71           HN       GLU  71 -17.495   5.251   6.869
  570    HA   GLU  71           HA       GLU  71 -15.671   4.450   9.035
  571   1HB   GLU  71          HB3       GLU  71 -16.365   2.860   6.568
  572   2HB   GLU  71          HB2       GLU  71 -15.046   2.468   7.658
  573   1HG   GLU  71          HG3       GLU  71 -17.012   2.559   9.439
  574   2HG   GLU  71          HG2       GLU  71 -17.969   2.163   8.013
  575    H    ASP  72           HN       ASP  72 -13.529   4.661   8.644
  576    HA   ASP  72           HA       ASP  72 -12.783   6.416   6.429
  577   1HB   ASP  72          HB3       ASP  72 -11.289   5.606   8.937
  578   2HB   ASP  72          HB2       ASP  72 -10.702   6.750   7.732
  579    H    THR  73           HN       THR  73 -11.927   5.538   4.661
  580    HA   THR  73           HA       THR  73 -10.221   3.146   4.903
  581    HB   THR  73           HB       THR  73 -12.169   3.812   2.669
  582    HG1  THR  73           HG1      THR  73 -12.597   2.666   5.069
  583   1HG2  THR  73          HG21      THR  73 -10.206   1.658   3.009
  584   2HG2  THR  73          HG22      THR  73 -10.915   2.337   1.546
  585   3HG2  THR  73          HG23      THR  73 -11.813   1.157   2.496
  586    H    ILE  74           HN       ILE  74  -8.598   3.020   3.075
  587    HA   ILE  74           HA       ILE  74  -7.827   5.737   2.252
  588    HB   ILE  74           HB       ILE  74  -6.191   3.194   2.223
  589   1HG1  ILE  74          HG12      ILE  74  -6.663   3.990   4.527
  590   2HG1  ILE  74          HG13      ILE  74  -4.964   4.182   4.113
  591   1HG2  ILE  74          HG21      ILE  74  -4.277   4.642   1.720
  592   2HG2  ILE  74          HG22      ILE  74  -5.513   4.790   0.477
  593   3HG2  ILE  74          HG23      ILE  74  -5.336   6.050   1.697
  594   1HD1  ILE  74          HD11      ILE  74  -5.103   6.483   4.013
  595   2HD1  ILE  74          HD12      ILE  74  -6.850   6.475   3.734
  596   3HD1  ILE  74          HD13      ILE  74  -6.209   6.100   5.337
  597    H    VAL  75           HN       VAL  75  -7.869   6.301   0.143
  598    HA   VAL  75           HA       VAL  75  -8.441   4.169  -1.820
  599    HB   VAL  75           HB       VAL  75  -9.842   6.833  -1.551
  600   1HG1  VAL  75          HG21      VAL  75  -9.277   5.424  -3.930
  601   2HG1  VAL  75          HG22      VAL  75 -10.993   5.194  -3.571
  602   3HG1  VAL  75          HG23      VAL  75 -10.328   6.822  -3.713
  603   1HG2  VAL  75          HG11      VAL  75 -11.141   5.573  -0.223
  604   2HG2  VAL  75          HG12      VAL  75 -11.786   4.943  -1.738
  605   3HG2  VAL  75          HG13      VAL  75 -10.524   4.055  -0.878
  606    H    LEU  76           HN       LEU  76  -7.110   4.143  -3.453
  607    HA   LEU  76           HA       LEU  76  -5.525   6.527  -4.099
  608   1HB   LEU  76          HB2       LEU  76  -5.138   3.629  -4.878
  609   2HB   LEU  76          HB3       LEU  76  -4.103   4.945  -5.388
  610    HG   LEU  76           HG       LEU  76  -3.742   5.343  -2.838
  611   1HD1  LEU  76          HD11      LEU  76  -4.235   3.710  -1.327
  612   2HD1  LEU  76          HD12      LEU  76  -5.574   3.470  -2.444
  613   3HD1  LEU  76          HD13      LEU  76  -4.165   2.411  -2.530
  614   1HD2  LEU  76          HD21      LEU  76  -1.997   3.434  -2.872
  615   2HD2  LEU  76          HD22      LEU  76  -2.546   3.194  -4.529
  616   3HD2  LEU  76          HD23      LEU  76  -1.868   4.746  -4.044
  617    H    GLN  77           HN       GLN  77  -6.179   7.703  -5.761
  618    HA   GLN  77           HA       GLN  77  -7.932   6.432  -7.745
  619   1HB   GLN  77          HB2       GLN  77  -7.782   9.289  -6.789
  620   2HB   GLN  77          HB3       GLN  77  -8.798   8.752  -8.121
  621   1HG   GLN  77          HG2       GLN  77  -9.995   7.258  -6.592
  622   2HG   GLN  77          HG3       GLN  77  -8.997   7.840  -5.260
  623   1HE2  GLN  77          HE21      GLN  77 -10.143   9.090  -4.030
  624   2HE2  GLN  77          HE22      GLN  77 -11.441  10.130  -4.524
  625    HA   PRO  78           HA       PRO  78  -5.135   7.526 -10.982
  626   1HB   PRO  78          HB2       PRO  78  -6.778   7.283 -13.096
  627   2HB   PRO  78          HB3       PRO  78  -6.272   5.884 -12.141
  628   1HG   PRO  78          HG2       PRO  78  -8.873   7.342 -12.118
  629   2HG   PRO  78          HG3       PRO  78  -8.543   5.606 -11.926
  630   1HD   PRO  78          HD2       PRO  78  -9.032   7.413  -9.844
  631   2HD   PRO  78          HD3       PRO  78  -8.289   5.807  -9.674
  632    H    GLN  79           HN       GLN  79  -4.654   9.684 -10.552
  633    HA   GLN  79           HA       GLN  79  -6.284  11.889 -10.804
  634   1HB   GLN  79          HB2       GLN  79  -4.254  13.204 -11.112
  635   2HB   GLN  79          HB3       GLN  79  -4.016  11.983  -9.870
  636   1HG   GLN  79          HG3       GLN  79  -2.770  10.602 -11.373
  637   2HG   GLN  79          HG2       GLN  79  -3.126  11.680 -12.727
  638   1HE2  GLN  79          HE21      GLN  79  -1.617  13.047 -13.236
  639   2HE2  GLN  79          HE22      GLN  79  -0.426  13.711 -12.181
  640    H    GLU  80           HN       GLU  80  -4.661  10.016 -13.302
  641    HA   GLU  80           HA       GLU  80  -5.915  11.685 -15.365
  642   1HB   GLU  80          HB3       GLU  80  -3.388  11.771 -15.218
  643   2HB   GLU  80          HB2       GLU  80  -3.372  10.071 -15.652
  644   1HG   GLU  80          HG3       GLU  80  -4.582  10.670 -17.752
  645   2HG   GLU  80          HG2       GLU  80  -4.373  12.366 -17.320
  646    HA   PRO  81           HA       PRO  81  -8.180   8.040 -16.356
  647   1HB   PRO  81          HB3       PRO  81  -8.052   8.952 -19.167
  648   2HB   PRO  81          HB2       PRO  81  -9.458   8.600 -18.157
  649   1HG   PRO  81          HG3       PRO  81  -8.796  11.111 -18.755
  650   2HG   PRO  81          HG2       PRO  81  -9.418  10.679 -17.156
  651   1HD   PRO  81          HD3       PRO  81  -6.597  11.217 -18.003
  652   2HD   PRO  81          HD2       PRO  81  -7.431  11.710 -16.514
  653    H    GLY  82           HN       GLY  82  -7.553   6.033 -16.720
  654   1HA   GLY  82          HA1       GLY  82  -6.452   4.664 -18.665
  655   2HA   GLY  82          HA2       GLY  82  -5.034   5.572 -18.142
  656    H    LEU  83           HN       LEU  83  -5.477   5.667 -15.458
  657    HA   LEU  83           HA       LEU  83  -4.726   2.991 -14.638
  658   1HB   LEU  83          HB2       LEU  83  -3.506   5.008 -13.834
  659   2HB   LEU  83          HB3       LEU  83  -4.973   5.563 -13.055
  660    HG   LEU  83           HG       LEU  83  -4.881   3.388 -11.709
  661   1HD1  LEU  83          HD11      LEU  83  -2.222   3.359 -13.032
  662   2HD1  LEU  83          HD12      LEU  83  -2.363   2.805 -11.363
  663   3HD1  LEU  83          HD13      LEU  83  -3.298   2.020 -12.639
  664   1HD2  LEU  83          HD21      LEU  83  -4.506   5.196 -10.402
  665   2HD2  LEU  83          HD22      LEU  83  -2.903   4.459 -10.323
  666   3HD2  LEU  83          HD23      LEU  83  -3.204   5.808 -11.421
  667    HA   PRO  84           HA       PRO  84  -8.845   2.064 -13.266
  668   1HB   PRO  84          HB2       PRO  84  -8.371  -0.028 -11.620
  669   2HB   PRO  84          HB3       PRO  84  -8.140  -0.163 -13.368
  670   1HG   PRO  84          HG2       PRO  84  -6.102   0.381 -11.233
  671   2HG   PRO  84          HG3       PRO  84  -6.026  -0.801 -12.557
  672   1HD   PRO  84          HD2       PRO  84  -4.809   1.601 -12.711
  673   2HD   PRO  84          HD3       PRO  84  -5.527   0.824 -14.136
  674    H    SER  85           HN       SER  85  -9.809   1.326 -10.908
  675    HA   SER  85           HA       SER  85  -9.051   3.540  -9.136
  676   1HB   SER  85          HB3       SER  85 -11.540   1.824  -8.976
  677   2HB   SER  85          HB2       SER  85 -11.253   3.375  -8.181
  678    HG   SER  85           HG       SER  85 -11.410   2.958 -10.993
  679    H    PHE  86           HN       PHE  86  -8.275   3.136  -7.069
  680    HA   PHE  86           HA       PHE  86  -8.172   0.296  -6.292
  681   1HB   PHE  86          HB3       PHE  86  -6.034   0.908  -7.216
  682   2HB   PHE  86          HB2       PHE  86  -5.961   2.347  -6.212
  683    HD1  PHE  86           HD1      PHE  86  -6.924  -1.068  -5.127
  684    HD2  PHE  86           HD2      PHE  86  -3.972   1.995  -5.044
  685    HE1  PHE  86           HE1      PHE  86  -5.677  -2.316  -3.414
  686    HE2  PHE  86           HE2      PHE  86  -2.721   0.749  -3.326
  687    HZ   PHE  86           HZ       PHE  86  -3.580  -1.402  -2.512
  688    H    ARG  87           HN       ARG  87  -8.839  -0.131  -4.287
  689    HA   ARG  87           HA       ARG  87  -8.843   2.021  -2.279
  690   1HB   ARG  87          HB2       ARG  87 -11.095   0.018  -2.548
  691   2HB   ARG  87          HB3       ARG  87 -11.048   1.452  -1.535
  692   1HG   ARG  87          HG3       ARG  87 -12.222   2.474  -3.119
  693   2HG   ARG  87          HG2       ARG  87 -10.752   2.453  -4.102
  694   1HD   ARG  87          HD2       ARG  87 -11.397   0.344  -5.086
  695   2HD   ARG  87          HD3       ARG  87 -12.822   0.264  -4.046
  696    HE   ARG  87           HE       ARG  87 -12.833   2.666  -5.546
  697   1HH1  ARG  87          HH12      ARG  87 -14.661  -0.456  -5.638
  698   2HH1  ARG  87          HH11      ARG  87 -13.842  -0.791  -7.133
  699   1HH2  ARG  87          HH21      ARG  87 -15.108   2.459  -7.022
  700   2HH2  ARG  87          HH22      ARG  87 -14.175   1.782  -8.327
  701    H    ILE  88           HN       ILE  88  -8.560   1.238  -0.109
  702    HA   ILE  88           HA       ILE  88  -8.149  -1.649   0.187
  703    HB   ILE  88           HB       ILE  88  -6.150  -0.932   1.743
  704   1HG1  ILE  88          HG12      ILE  88  -6.147   1.230  -0.378
  705   2HG1  ILE  88          HG13      ILE  88  -6.440   1.487   1.338
  706   1HG2  ILE  88          HG21      ILE  88  -5.256  -2.315   0.270
  707   2HG2  ILE  88          HG22      ILE  88  -6.427  -1.843  -0.959
  708   3HG2  ILE  88          HG23      ILE  88  -4.933  -0.920  -0.770
  709   1HD1  ILE  88          HD11      ILE  88  -3.972   1.440  -0.062
  710   2HD1  ILE  88          HD12      ILE  88  -4.266   1.764   1.651
  711   3HD1  ILE  88          HD13      ILE  88  -3.985   0.114   1.096
  712    H    LYS  89           HN       LYS  89  -9.529  -2.252   1.718
  713    HA   LYS  89           HA       LYS  89  -9.928  -0.412   3.982
  714   1HB   LYS  89          HB3       LYS  89 -12.153  -1.362   4.248
  715   2HB   LYS  89          HB2       LYS  89 -11.938  -0.691   2.637
  716   1HG   LYS  89          HG2       LYS  89 -12.230  -2.666   1.616
  717   2HG   LYS  89          HG3       LYS  89 -11.404  -3.580   2.888
  718   1HD   LYS  89          HD2       LYS  89 -13.352  -3.464   4.295
  719   2HD   LYS  89          HD3       LYS  89 -14.149  -2.363   3.167
  720   1HE   LYS  89          HE3       LYS  89 -15.062  -4.580   2.905
  721   2HE   LYS  89          HE2       LYS  89 -14.139  -4.152   1.466
  722   1HZ   LYS  89          HZ1       LYS  89 -13.534  -6.163   3.524
  723   2HZ   LYS  89          HZ2       LYS  89 -12.240  -5.418   2.716
  724   3HZ   LYS  89          HZ3       LYS  89 -13.420  -6.276   1.846
  725    HA   PRO  90           HA       PRO  90  -8.415  -3.773   6.483
  726   1HB   PRO  90          HB2       PRO  90  -8.313  -2.102   8.738
  727   2HB   PRO  90          HB3       PRO  90  -7.004  -2.339   7.579
  728   1HG   PRO  90          HG2       PRO  90  -8.454   0.033   8.023
  729   2HG   PRO  90          HG3       PRO  90  -7.313  -0.291   6.712
  730   1HD   PRO  90          HD3       PRO  90 -10.283  -0.397   6.692
  731   2HD   PRO  90          HD2       PRO  90  -9.153   0.032   5.385
  732    H    LYS  91           HN       LYS  91 -11.095  -3.905   5.942
  733    HA   LYS  91           HA       LYS  91 -12.759  -3.464   8.222
  734   1HB   LYS  91          HB2       LYS  91 -13.526  -3.424   5.850
  735   2HB   LYS  91          HB3       LYS  91 -13.301  -5.170   5.783
  736   1HG   LYS  91          HG3       LYS  91 -15.638  -4.511   6.125
  737   2HG   LYS  91          HG2       LYS  91 -15.006  -5.502   7.445
  738   1HD   LYS  91          HD2       LYS  91 -14.662  -3.512   8.784
  739   2HD   LYS  91          HD3       LYS  91 -15.205  -2.496   7.446
  740   1HE   LYS  91          HE2       LYS  91 -17.405  -3.567   7.532
  741   2HE   LYS  91          HE3       LYS  91 -16.875  -4.559   8.895
  742   1HZ   LYS  91          HZ1       LYS  91 -17.251  -1.612   8.809
  743   2HZ   LYS  91          HZ2       LYS  91 -16.411  -2.383  10.061
  744   3HZ   LYS  91          HZ3       LYS  91 -18.050  -2.736   9.806
  745    H    ASP  92           HN       ASP  92 -11.286  -6.390   6.814
  746    HA   ASP  92           HA       ASP  92 -11.663  -7.708   9.370
  747   1HB   ASP  92          HB3       ASP  92 -13.632  -8.265   8.003
  748   2HB   ASP  92          HB2       ASP  92 -12.570  -8.881   6.746
  749    H    PHE  93           HN       PHE  93  -9.772  -8.462   9.929
  750    HA   PHE  93           HA       PHE  93  -8.259 -10.336   8.612
  751   1HB   PHE  93          HB2       PHE  93  -7.865  -8.356   7.012
  752   2HB   PHE  93          HB3       PHE  93  -6.907  -7.650   8.308
  753    HD1  PHE  93           HD1      PHE  93  -4.844  -8.835   9.099
  754    HD2  PHE  93           HD2      PHE  93  -7.004 -10.049   5.648
  755    HE1  PHE  93           HE1      PHE  93  -2.894 -10.132   8.343
  756    HE2  PHE  93           HE2      PHE  93  -5.068 -11.362   4.885
  757    HZ   PHE  93           HZ       PHE  93  -3.005 -11.400   6.234
  758    H    GLU  94           HN       GLU  94  -6.722 -11.126   9.989
  759    HA   GLU  94           HA       GLU  94  -6.838 -10.336  12.671
  760   1HB   GLU  94          HB3       GLU  94  -4.694 -11.964  11.287
  761   2HB   GLU  94          HB2       GLU  94  -4.941 -11.872  13.023
  762   1HG   GLU  94          HG3       GLU  94  -6.032 -13.818  12.589
  763   2HG   GLU  94          HG2       GLU  94  -7.366 -12.685  12.377
  764    H    THR  95           HN       THR  95  -6.166  -8.481  13.456
  765    HA   THR  95           HA       THR  95  -4.905  -6.674  13.954
  766    HB   THR  95           HB       THR  95  -2.536  -8.140  12.777
  767    HG1  THR  95           HG1      THR  95  -2.884  -9.563  14.275
  768   1HG2  THR  95          HG21      THR  95  -2.805  -6.082  14.935
  769   2HG2  THR  95          HG22      THR  95  -1.926  -5.947  13.420
  770   3HG2  THR  95          HG23      THR  95  -1.355  -7.047  14.674
  771    H    SER  96           HN       SER  96  -6.211  -5.699  12.280
  772    HA   SER  96           HA       SER  96  -4.568  -4.342  10.355
  773   1HB   SER  96          HB3       SER  96  -6.907  -6.061   9.483
  774   2HB   SER  96          HB2       SER  96  -6.185  -4.821   8.476
  775    HG   SER  96           HG       SER  96  -4.919  -6.368   7.869
  776    H    GLU  97           HN       GLU  97  -7.811  -5.055  11.447
  777    HA   GLU  97           HA       GLU  97  -9.029  -2.566  10.887
  778   1HB   GLU  97          HB3       GLU  97  -9.954  -4.928  11.808
  779   2HB   GLU  97          HB2       GLU  97  -9.938  -4.022  13.314
  780   1HG   GLU  97          HG2       GLU  97 -11.216  -2.754  10.945
  781   2HG   GLU  97          HG3       GLU  97 -12.060  -4.096  11.715
  782    H    TYR  98           HN       TYR  98  -7.063  -3.678  13.520
  783    HA   TYR  98           HA       TYR  98  -7.506  -1.405  15.212
  784   1HB   TYR  98          HB2       TYR  98  -5.440  -3.610  15.245
  785   2HB   TYR  98          HB3       TYR  98  -5.456  -2.301  16.419
  786    HD1  TYR  98           HD1      TYR  98  -7.933  -4.727  14.994
  787    HD2  TYR  98           HD2      TYR  98  -6.383  -2.803  18.460
  788    HE1  TYR  98           HE1      TYR  98  -9.526  -5.968  16.389
  789    HE2  TYR  98           HE2      TYR  98  -7.986  -4.037  19.858
  790    HH   TYR  98           HH       TYR  98 -10.504  -5.207  19.185
  791    H    VAL  99           HN       VAL  99  -4.777  -2.463  13.130
  792    HA   VAL  99           HA       VAL  99  -3.316  -0.076  13.583
  793    HB   VAL  99           HB       VAL  99  -1.897  -0.810  11.703
  794   1HG1  VAL  99          HG11      VAL  99  -2.193  -2.010  14.143
  795   2HG1  VAL  99          HG12      VAL  99  -2.320  -3.380  13.045
  796   3HG1  VAL  99          HG13      VAL  99  -0.885  -2.357  13.004
  797   1HG2  VAL  99          HG21      VAL  99  -4.073  -1.868  10.579
  798   2HG2  VAL  99          HG22      VAL  99  -2.447  -2.438  10.202
  799   3HG2  VAL  99          HG23      VAL  99  -3.448  -3.317  11.359
  800    H    ARG 100           HN       ARG 100  -6.099  -0.649  11.909
  801    HA   ARG 100           HA       ARG 100  -5.962   0.839   9.571
  802   1HB   ARG 100          HB3       ARG 100  -7.863  -0.444   9.826
  803   2HB   ARG 100          HB2       ARG 100  -8.086   0.029  11.500
  804   1HG   ARG 100          HG3       ARG 100  -8.686   2.340  10.489
  805   2HG   ARG 100          HG2       ARG 100  -8.975   1.398   9.020
  806   1HD   ARG 100          HD2       ARG 100 -10.394  -0.152  10.386
  807   2HD   ARG 100          HD3       ARG 100 -10.211   0.959  11.738
  808    HE   ARG 100           HE       ARG 100 -11.284   2.236   9.423
  809   1HH1  ARG 100          HH11      ARG 100 -12.162   0.172  12.215
  810   2HH1  ARG 100          HH12      ARG 100 -13.343   1.382  12.635
  811   1HH2  ARG 100          HH22      ARG 100 -13.854   3.100  10.497
  812   2HH2  ARG 100          HH21      ARG 100 -14.385   1.604   9.782
  813    H    LYS 101           HN       LYS 101  -6.521   1.747  12.891
  814    HA   LYS 101           HA       LYS 101  -7.103   4.500  12.500
  815   1HB   LYS 101          HB3       LYS 101  -5.956   3.014  14.880
  816   2HB   LYS 101          HB2       LYS 101  -6.420   4.705  14.905
  817   1HG   LYS 101          HG2       LYS 101  -8.611   4.241  15.037
  818   2HG   LYS 101          HG3       LYS 101  -8.487   2.860  13.951
  819   1HD   LYS 101          HD2       LYS 101  -9.125   2.239  16.244
  820   2HD   LYS 101          HD3       LYS 101  -7.632   1.472  15.706
  821   1HE   LYS 101          HE3       LYS 101  -7.200   2.160  17.903
  822   2HE   LYS 101          HE2       LYS 101  -6.422   3.368  16.885
  823   1HZ   LYS 101          HZ1       LYS 101  -8.501   4.734  17.198
  824   2HZ   LYS 101          HZ2       LYS 101  -7.536   4.536  18.576
  825   3HZ   LYS 101          HZ3       LYS 101  -8.956   3.630  18.398
  826    H    ALA 102           HN       ALA 102  -4.205   2.598  12.911
  827    HA   ALA 102           HA       ALA 102  -2.470   4.928  13.012
  828   1HB   ALA 102          HB1       ALA 102  -1.178   2.321  12.659
  829   2HB   ALA 102          HB2       ALA 102  -0.906   3.568  13.879
  830   3HB   ALA 102          HB3       ALA 102  -2.230   2.414  14.068
  831    H    TRP 103           HN       TRP 103  -4.021   3.551  10.493
  832    HA   TRP 103           HA       TRP 103  -1.701   3.893   8.693
  833   1HB   TRP 103          HB3       TRP 103  -4.288   2.432   8.296
  834   2HB   TRP 103          HB2       TRP 103  -3.499   3.155   6.895
  835    HD1  TRP 103           HD1      TRP 103  -2.769   0.542   9.674
  836    HE1  TRP 103           HE1      TRP 103  -1.006  -1.125   8.804
  837    HE3  TRP 103           HE3      TRP 103  -1.702   2.713   5.150
  838    HZ2  TRP 103           HZ2      TRP 103   0.598  -1.473   6.531
  839    HZ3  TRP 103           HZ3      TRP 103  -0.028   1.621   3.697
  840    HH2  TRP 103           HH2      TRP 103   1.092  -0.403   4.351
  841    H    LEU 104           HN       LEU 104  -4.565   5.212   9.896
  842    HA   LEU 104           HA       LEU 104  -5.032   7.201   7.937
  843   1HB   LEU 104          HB3       LEU 104  -5.885   6.871  10.776
  844   2HB   LEU 104          HB2       LEU 104  -6.523   8.050   9.680
  845    HG   LEU 104           HG       LEU 104  -6.738   5.077   9.261
  846   1HD1  LEU 104          HD21      LEU 104  -8.322   5.089  10.827
  847   2HD1  LEU 104          HD22      LEU 104  -8.274   6.848  10.964
  848   3HD1  LEU 104          HD23      LEU 104  -9.278   6.091   9.729
  849   1HD2  LEU 104          HD11      LEU 104  -8.476   7.117   7.964
  850   2HD2  LEU 104          HD12      LEU 104  -6.852   6.830   7.333
  851   3HD2  LEU 104          HD13      LEU 104  -8.006   5.501   7.412
  852    H    ARG 105           HN       ARG 105  -2.376   6.972   8.865
  853    HA   ARG 105           HA       ARG 105  -1.823   9.710   9.600
  854   1HB   ARG 105          HB2       ARG 105  -1.891   8.657  11.795
  855   2HB   ARG 105          HB3       ARG 105  -0.840   7.359  11.236
  856   1HG   ARG 105          HG3       ARG 105   0.959   9.019  10.866
  857   2HG   ARG 105          HG2       ARG 105  -0.101  10.265  11.526
  858   1HD   ARG 105          HD3       ARG 105  -0.152   9.180  13.665
  859   2HD   ARG 105          HD2       ARG 105   0.743   7.803  13.032
  860    HE   ARG 105           HE       ARG 105   2.350  10.006  12.584
  861   1HH1  ARG 105          HH11      ARG 105   1.088   9.645  16.046
  862   2HH1  ARG 105          HH12      ARG 105   1.572   8.042  15.608
  863   1HH2  ARG 105          HH22      ARG 105   3.699  11.090  14.426
  864   2HH2  ARG 105          HH21      ARG 105   4.350   9.608  15.085
  865    H    ASP 106           HN       ASP 106  -0.756   6.489   8.626
  866    HA   ASP 106           HA       ASP 106   1.871   7.156   7.874
  867   1HB   ASP 106          HB2       ASP 106  -0.009   4.956   7.055
  868   2HB   ASP 106          HB3       ASP 106   1.525   5.164   6.216
  869    H    ILE 107           HN       ILE 107  -1.132   7.900   6.537
  870    HA   ILE 107           HA       ILE 107  -0.021   8.673   3.941
  871    HB   ILE 107           HB       ILE 107  -2.762   8.128   4.983
  872   1HG1  ILE 107          HG12      ILE 107  -3.021   7.260   2.616
  873   2HG1  ILE 107          HG13      ILE 107  -1.326   7.664   2.377
  874   1HG2  ILE 107          HG21      ILE 107  -2.162  10.407   3.202
  875   2HG2  ILE 107          HG22      ILE 107  -3.521   9.375   2.753
  876   3HG2  ILE 107          HG23      ILE 107  -3.497  10.161   4.332
  877   1HD1  ILE 107          HD11      ILE 107  -1.455   6.133   4.729
  878   2HD1  ILE 107          HD12      ILE 107  -2.446   5.324   3.515
  879   3HD1  ILE 107          HD13      ILE 107  -0.763   5.702   3.163
  880    H    ALA 108           HN       ALA 108  -1.635   9.880   6.801
  881    HA   ALA 108           HA       ALA 108  -1.934  12.580   6.164
  882   1HB   ALA 108          HB1       ALA 108  -2.749  12.773   8.253
  883   2HB   ALA 108          HB2       ALA 108  -2.637  11.013   8.247
  884   3HB   ALA 108          HB3       ALA 108  -1.355  11.977   8.981
  885    H    GLU 109           HN       GLU 109   0.893  10.889   6.663
  886    HA   GLU 109           HA       GLU 109   2.522  13.247   6.545
  887   1HB   GLU 109          HB3       GLU 109   3.855  12.653   8.591
  888   2HB   GLU 109          HB2       GLU 109   2.224  13.219   8.942
  889   1HG   GLU 109          HG2       GLU 109   1.469  10.934   9.224
  890   2HG   GLU 109          HG3       GLU 109   3.084  10.338   8.849
  891    H    GLU 110           HN       GLU 110   2.178  11.271   4.718
  892    HA   GLU 110           HA       GLU 110   3.935   9.087   4.920
  893   1HB   GLU 110          HB2       GLU 110   3.797   9.077   2.398
  894   2HB   GLU 110          HB3       GLU 110   2.263   9.003   3.245
  895   1HG   GLU 110          HG3       GLU 110   1.874  11.342   2.834
  896   2HG   GLU 110          HG2       GLU 110   3.464  11.498   2.082
  897    H    GLN 111           HN       GLN 111   6.019   8.784   4.235
  898    HA   GLN 111           HA       GLN 111   7.756  10.824   4.815
  899   1HB   GLN 111          HB2       GLN 111   8.241   8.389   4.992
  900   2HB   GLN 111          HB3       GLN 111   8.541   8.386   3.255
  901   1HG   GLN 111          HG2       GLN 111  10.355   9.824   3.457
  902   2HG   GLN 111          HG3       GLN 111   9.897  10.300   5.085
  903   1HE2  GLN 111          HE21      GLN 111  11.272   9.570   6.512
  904   2HE2  GLN 111          HE22      GLN 111  11.925   7.971   6.581
  905    H    GLU 112           HN       GLU 112   6.902   9.769   1.466
  906    HA   GLU 112           HA       GLU 112   8.916  11.262   0.206
  907   1HB   GLU 112          HB2       GLU 112   6.164  10.477  -0.692
  908   2HB   GLU 112          HB3       GLU 112   7.170  11.523  -1.683
  909   1HG   GLU 112          HG3       GLU 112   7.823   8.731  -0.785
  910   2HG   GLU 112          HG2       GLU 112   7.397   9.235  -2.416
  911    H    LYS 113           HN       LYS 113   5.930  12.217   1.605
  912    HA   LYS 113           HA       LYS 113   5.741  14.822   0.526
  913   1HB   LYS 113          HB3       LYS 113   4.393  13.224   2.642
  914   2HB   LYS 113          HB2       LYS 113   4.129  14.970   2.621
  915   1HG   LYS 113          HG2       LYS 113   2.433  13.567   1.348
  916   2HG   LYS 113          HG3       LYS 113   3.153  14.912   0.464
  917   1HD   LYS 113          HD2       LYS 113   4.844  13.206  -0.419
  918   2HD   LYS 113          HD3       LYS 113   3.759  11.970   0.212
  919   1HE   LYS 113          HE3       LYS 113   3.033  14.057  -1.828
  920   2HE   LYS 113          HE2       LYS 113   3.425  12.377  -2.167
  921   1HZ   LYS 113          HZ1       LYS 113   1.208  12.190  -2.082
  922   2HZ   LYS 113          HZ2       LYS 113   1.007  13.514  -1.041
  923   3HZ   LYS 113          HZ3       LYS 113   1.504  12.013  -0.418
  924    H    TYR 114           HN       TYR 114   7.920  13.621   2.712
  925    HA   TYR 114           HA       TYR 114   8.043  15.638   4.678
  926   1HB   TYR 114          HB2       TYR 114   9.948  13.580   3.661
  927   2HB   TYR 114          HB3       TYR 114  10.637  14.930   4.554
  928    HD1  TYR 114           HD1      TYR 114   7.494  12.960   5.027
  929    HD2  TYR 114           HD2      TYR 114  11.213  14.214   6.657
  930    HE1  TYR 114           HE1      TYR 114   6.946  11.821   7.138
  931    HE2  TYR 114           HE2      TYR 114  10.674  13.092   8.774
  932    HH   TYR 114           HH       TYR 114   7.561  11.431   9.259
  933    H    ALA 115           HN       ALA 115   9.041  15.475   1.387
  934    HA   ALA 115           HA       ALA 115  10.744  17.786   1.426
  935   1HB   ALA 115          HB1       ALA 115   9.404  16.594  -0.989
  936   2HB   ALA 115          HB2       ALA 115  10.915  17.497  -0.912
  937   3HB   ALA 115          HB3       ALA 115  10.830  15.868  -0.250
  938    H    ALA 116           HN       ALA 116   9.996  19.768   1.687
  939    HA   ALA 116           HA       ALA 116   7.216  20.399   1.466
  940   1HB   ALA 116          HB1       ALA 116   9.496  22.334   1.828
  941   2HB   ALA 116          HB2       ALA 116   7.800  22.577   2.247
  942   3HB   ALA 116          HB3       ALA 116   8.772  21.408   3.140
  943    H    GLU 117           HN       GLU 117   7.492  19.562  -0.918
  944    HA   GLU 117           HA       GLU 117   7.792  21.954  -2.617
  945   1HB   GLU 117          HB3       GLU 117   8.432  19.087  -3.336
  946   2HB   GLU 117          HB2       GLU 117   8.465  20.437  -4.461
  947   1HG   GLU 117          HG2       GLU 117  10.261  21.471  -3.224
  948   2HG   GLU 117          HG3       GLU 117  10.187  20.199  -2.006
  949    H    ARG 118           HN       ARG 118   6.294  22.235  -4.252
  950    HA   ARG 118           HA       ARG 118   3.773  20.823  -3.827
  951   1HB   ARG 118          HB2       ARG 118   4.247  23.202  -5.622
  952   2HB   ARG 118          HB3       ARG 118   2.719  22.626  -4.966
  953   1HG   ARG 118          HG2       ARG 118   3.428  23.235  -2.726
  954   2HG   ARG 118          HG3       ARG 118   4.980  23.797  -3.353
  955   1HD   ARG 118          HD3       ARG 118   3.591  25.370  -4.832
  956   2HD   ARG 118          HD2       ARG 118   2.241  24.955  -3.776
  957    HE   ARG 118           HE       ARG 118   4.340  26.780  -3.197
  958   1HH1  ARG 118          HH12      ARG 118   1.482  25.559  -1.338
  959   2HH1  ARG 118          HH11      ARG 118   2.594  24.319  -0.833
  960   1HH2  ARG 118          HH21      ARG 118   3.739  27.903  -0.887
  961   2HH2  ARG 118          HH22      ARG 118   4.635  26.665  -0.064
  962    H    ASP 119           HN       ASP 119   5.446  22.061  -6.707
  963    HA   ASP 119           HA       ASP 119   5.285  19.488  -8.011
  964   1HB   ASP 119          HB3       ASP 119   3.042  20.594  -8.411
  965   2HB   ASP 119          HB2       ASP 119   3.903  21.854  -9.292
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1  18.868   6.584  22.454
    2   2H    MET   1          HT2       MET   1  17.285   6.409  21.819
    3   3H    MET   1          HT3       MET   1  18.562   5.434  21.207
    4    HA   MET   1           HA       MET   1  18.782   4.541  23.516
    5   1HB   MET   1          HB2       MET   1  17.492   6.442  24.546
    6   2HB   MET   1          HB3       MET   1  16.054   5.822  23.732
    7   1HG   MET   1          HG3       MET   1  16.347   3.661  24.960
    8   2HG   MET   1          HG2       MET   1  17.663   4.399  25.874
    9   1HE   MET   1          HE1       MET   1  15.355   4.366  28.750
   10   2HE   MET   1          HE2       MET   1  14.653   3.284  27.540
   11   3HE   MET   1          HE3       MET   1  16.405   3.393  27.714
   12    H    GLY   2           HN       GLY   2  16.001   4.976  21.339
   13   1HA   GLY   2          HA1       GLY   2  15.949   2.093  20.906
   14   2HA   GLY   2          HA2       GLY   2  14.468   2.868  21.438
   15    H    ASP   3           HN       ASP   3  15.891   1.704  18.828
   16    HA   ASP   3           HA       ASP   3  14.983   3.815  17.009
   17   1HB   ASP   3          HB2       ASP   3  16.262   2.778  15.291
   18   2HB   ASP   3          HB3       ASP   3  17.286   2.876  16.716
   19    H    THR   4           HN       THR   4  13.620   3.250  15.176
   20    HA   THR   4           HA       THR   4  12.002   0.833  15.669
   21    HB   THR   4           HB       THR   4  11.058   3.445  14.507
   22    HG1  THR   4           HG1      THR   4  11.067   4.048  16.505
   23   1HG2  THR   4          HG21      THR   4   9.624   1.655  13.787
   24   2HG2  THR   4          HG22      THR   4   8.831   2.586  15.052
   25   3HG2  THR   4          HG23      THR   4   9.543   1.019  15.435
   26    H    GLY   5           HN       GLY   5  12.551  -0.644  14.145
   27   1HA   GLY   5          HA2       GLY   5  12.423  -1.512  11.987
   28   2HA   GLY   5          HA1       GLY   5  12.326   0.127  11.360
   29    H    LYS   6           HN       LYS   6  14.284  -2.528  11.830
   30    HA   LYS   6           HA       LYS   6  16.740  -0.973  11.394
   31   1HB   LYS   6          HB3       LYS   6  16.408  -3.861  12.209
   32   2HB   LYS   6          HB2       LYS   6  17.946  -3.078  11.905
   33   1HG   LYS   6          HG3       LYS   6  17.232  -1.468  13.732
   34   2HG   LYS   6          HG2       LYS   6  16.002  -2.667  14.120
   35   1HD   LYS   6          HD2       LYS   6  17.700  -4.328  14.536
   36   2HD   LYS   6          HD3       LYS   6  18.984  -3.256  13.962
   37   1HE   LYS   6          HE2       LYS   6  17.247  -2.751  16.404
   38   2HE   LYS   6          HE3       LYS   6  18.908  -3.353  16.429
   39   1HZ   LYS   6          HZ1       LYS   6  19.012  -1.024  16.836
   40   2HZ   LYS   6          HZ2       LYS   6  17.965  -0.678  15.545
   41   3HZ   LYS   6          HZ3       LYS   6  19.540  -1.237  15.246
   42    H    LEU   7           HN       LEU   7  14.544  -3.322  10.083
   43    HA   LEU   7           HA       LEU   7  16.213  -3.894   7.769
   44   1HB   LEU   7          HB2       LEU   7  13.437  -4.727   8.578
   45   2HB   LEU   7          HB3       LEU   7  13.990  -4.957   6.927
   46    HG   LEU   7           HG       LEU   7  14.261  -7.010   8.237
   47   1HD1  LEU   7          HD21      LEU   7  15.933  -6.405   6.455
   48   2HD1  LEU   7          HD22      LEU   7  16.971  -5.791   7.742
   49   3HD1  LEU   7          HD23      LEU   7  16.545  -7.500   7.698
   50   1HD2  LEU   7          HD11      LEU   7  15.608  -5.197  10.142
   51   2HD2  LEU   7          HD12      LEU   7  14.543  -6.569  10.448
   52   3HD2  LEU   7          HD13      LEU   7  16.220  -6.840   9.983
   53    H    GLY   8           HN       GLY   8  14.554  -3.763   5.634
   54   1HA   GLY   8          HA1       GLY   8  14.512  -0.934   5.095
   55   2HA   GLY   8          HA2       GLY   8  14.126  -2.227   3.968
   56    H    ARG   9           HN       ARG   9  12.447  -2.286   6.986
   57    HA   ARG   9           HA       ARG   9   9.947  -1.798   5.655
   58   1HB   ARG   9          HB3       ARG   9  10.227  -2.163   8.625
   59   2HB   ARG   9          HB2       ARG   9   8.901  -2.642   7.569
   60   1HG   ARG   9          HG2       ARG   9  11.633  -3.876   7.525
   61   2HG   ARG   9          HG3       ARG   9  10.242  -4.555   8.375
   62   1HD   ARG   9          HD2       ARG   9   9.064  -4.602   6.185
   63   2HD   ARG   9          HD3       ARG   9  10.566  -4.092   5.416
   64    HE   ARG   9           HE       ARG   9  10.787  -6.476   7.050
   65   1HH1  ARG   9          HH12      ARG   9  11.893  -5.765   3.734
   66   2HH1  ARG   9          HH11      ARG   9  10.300  -6.174   3.172
   67   1HH2  ARG   9          HH21      ARG   9  10.335  -8.711   5.291
   68   2HH2  ARG   9          HH22      ARG   9  12.022  -8.281   5.106
   69    H    ILE  10           HN       ILE  10  10.937   0.391   5.198
   70    HA   ILE  10           HA       ILE  10  11.104   2.373   7.152
   71    HB   ILE  10           HB       ILE  10  12.236   2.519   4.999
   72   1HG1  ILE  10          HG13      ILE  10  10.343   4.833   5.340
   73   2HG1  ILE  10          HG12      ILE  10  11.708   4.537   6.416
   74   1HG2  ILE  10          HG21      ILE  10   9.504   3.105   3.908
   75   2HG2  ILE  10          HG22      ILE  10  11.005   3.170   2.989
   76   3HG2  ILE  10          HG23      ILE  10  10.412   1.625   3.606
   77   1HD1  ILE  10          HD11      ILE  10  12.765   5.940   4.997
   78   2HD1  ILE  10          HD12      ILE  10  12.991   4.459   4.065
   79   3HD1  ILE  10          HD13      ILE  10  11.680   5.569   3.657
   80    H    ILE  11           HN       ILE  11   8.254   1.503   5.134
   81    HA   ILE  11           HA       ILE  11   6.827   3.589   6.621
   82    HB   ILE  11           HB       ILE  11   5.786   2.270   4.106
   83   1HG1  ILE  11          HG13      ILE  11   7.250   4.906   4.443
   84   2HG1  ILE  11          HG12      ILE  11   7.792   3.510   3.516
   85   1HG2  ILE  11          HG21      ILE  11   4.144   3.997   4.119
   86   2HG2  ILE  11          HG22      ILE  11   4.140   3.227   5.713
   87   3HG2  ILE  11          HG23      ILE  11   4.914   4.804   5.483
   88   1HD1  ILE  11          HD11      ILE  11   5.220   4.806   2.818
   89   2HD1  ILE  11          HD12      ILE  11   6.745   5.545   2.325
   90   3HD1  ILE  11          HD13      ILE  11   6.346   3.906   1.811
   91    H    ARG  12           HN       ARG  12   4.824   1.272   5.064
   92    HA   ARG  12           HA       ARG  12   4.505  -0.286   7.550
   93   1HB   ARG  12          HB2       ARG  12   2.558   1.549   6.291
   94   2HB   ARG  12          HB3       ARG  12   1.920  -0.013   6.768
   95   1HG   ARG  12          HG3       ARG  12   1.510   1.371   8.611
   96   2HG   ARG  12          HG2       ARG  12   2.962   0.486   9.068
   97   1HD   ARG  12          HD3       ARG  12   4.351   2.354   8.463
   98   2HD   ARG  12          HD2       ARG  12   2.952   3.230   7.854
   99    HE   ARG  12           HE       ARG  12   2.451   2.581  10.532
  100   1HH1  ARG  12          HH11      ARG  12   5.450   4.409   9.554
  101   2HH1  ARG  12          HH12      ARG  12   4.238   5.466   8.883
  102   1HH2  ARG  12          HH22      ARG  12   3.627   4.207  12.389
  103   2HH2  ARG  12          HH21      ARG  12   2.636   5.439  11.652
  104    H    HIS  13           HN       HIS  13   3.017  -2.104   7.282
  105    HA   HIS  13           HA       HIS  13   2.524  -3.085   4.608
  106   1HB   HIS  13          HB2       HIS  13   3.791  -5.096   4.758
  107   2HB   HIS  13          HB3       HIS  13   4.888  -3.770   5.102
  108    HD1  HIS  13           HD1      HIS  13   5.345  -3.394   7.806
  109    HD2  HIS  13           HD2      HIS  13   3.907  -7.099   6.579
  110    HE1  HIS  13           HE1      HIS  13   5.822  -4.967   9.688
  111    HE2  HIS  13           HE2      HIS  13   4.981  -7.229   8.910
  112    H    ASP  14           HN       ASP  14   0.602  -4.041   4.622
  113    HA   ASP  14           HA       ASP  14  -0.171  -5.736   6.809
  114   1HB   ASP  14          HB3       ASP  14  -0.716  -3.299   7.488
  115   2HB   ASP  14          HB2       ASP  14  -2.039  -3.411   6.333
  116    H    ALA  15           HN       ALA  15  -1.794  -7.172   6.266
  117    HA   ALA  15           HA       ALA  15  -2.409  -7.332   3.423
  118   1HB   ALA  15          HB1       ALA  15  -1.544  -9.272   4.766
  119   2HB   ALA  15          HB2       ALA  15  -3.111  -9.315   5.587
  120   3HB   ALA  15          HB3       ALA  15  -3.013  -9.598   3.846
  121    H    PHE  16           HN       PHE  16  -4.276  -6.722   2.586
  122    HA   PHE  16           HA       PHE  16  -6.621  -6.531   4.352
  123   1HB   PHE  16          HB2       PHE  16  -5.831  -4.629   2.126
  124   2HB   PHE  16          HB3       PHE  16  -7.379  -4.595   2.972
  125    HD1  PHE  16           HD1      PHE  16  -7.168  -4.538   5.595
  126    HD2  PHE  16           HD2      PHE  16  -4.205  -3.216   2.886
  127    HE1  PHE  16           HE1      PHE  16  -6.231  -3.078   7.344
  128    HE2  PHE  16           HE2      PHE  16  -3.262  -1.739   4.611
  129    HZ   PHE  16           HZ       PHE  16  -4.289  -1.649   6.855
  130    H    GLN  17           HN       GLN  17  -8.694  -6.524   3.031
  131    HA   GLN  17           HA       GLN  17  -8.515  -8.000   0.549
  132   1HB   GLN  17          HB3       GLN  17 -10.326  -9.551   1.372
  133   2HB   GLN  17          HB2       GLN  17  -8.749  -9.812   2.093
  134   1HG   GLN  17          HG3       GLN  17  -9.434  -8.567   4.052
  135   2HG   GLN  17          HG2       GLN  17 -11.024  -8.307   3.331
  136   1HE2  GLN  17          HE21      GLN  17 -12.514  -9.678   3.889
  137   2HE2  GLN  17          HE22      GLN  17 -12.305 -11.360   4.173
  138    H    VAL  18           HN       VAL  18  -9.073  -5.951  -0.248
  139    HA   VAL  18           HA       VAL  18 -11.916  -5.354  -0.017
  140    HB   VAL  18           HB       VAL  18 -11.105  -2.890  -0.233
  141   1HG1  VAL  18          HG21      VAL  18 -11.682  -4.646   2.025
  142   2HG1  VAL  18          HG22      VAL  18 -10.750  -3.214   2.457
  143   3HG1  VAL  18          HG23      VAL  18 -12.300  -3.040   1.643
  144   1HG2  VAL  18          HG11      VAL  18  -8.810  -3.017  -0.373
  145   2HG2  VAL  18          HG12      VAL  18  -9.035  -2.731   1.352
  146   3HG2  VAL  18          HG13      VAL  18  -8.708  -4.360   0.765
  147    H    TRP  19           HN       TRP  19 -12.864  -4.299  -1.605
  148    HA   TRP  19           HA       TRP  19 -12.633  -5.018  -4.184
  149   1HB   TRP  19          HB2       TRP  19 -13.482  -2.236  -3.450
  150   2HB   TRP  19          HB3       TRP  19 -14.192  -3.325  -4.637
  151    HD1  TRP  19           HD1      TRP  19 -15.847  -5.239  -3.736
  152    HE1  TRP  19           HE1      TRP  19 -17.174  -5.453  -1.557
  153    HE3  TRP  19           HE3      TRP  19 -13.354  -1.766  -0.870
  154    HZ2  TRP  19           HZ2      TRP  19 -17.172  -4.338   1.007
  155    HZ3  TRP  19           HZ3      TRP  19 -14.099  -1.404   1.423
  156    HH2  TRP  19           HH2      TRP  19 -15.959  -2.665   2.358
  157    H    GLU  20           HN       GLU  20 -11.189  -4.786  -5.694
  158    HA   GLU  20           HA       GLU  20  -9.312  -2.547  -5.578
  159   1HB   GLU  20          HB2       GLU  20  -8.698  -5.044  -5.945
  160   2HB   GLU  20          HB3       GLU  20  -9.113  -4.708  -7.623
  161   1HG   GLU  20          HG2       GLU  20  -7.458  -2.924  -7.684
  162   2HG   GLU  20          HG3       GLU  20  -7.049  -3.239  -5.995
  163    H    GLY  21           HN       GLY  21 -11.994  -2.087  -6.330
  164   1HA   GLY  21          HA2       GLY  21 -12.680  -0.330  -7.824
  165   2HA   GLY  21          HA1       GLY  21 -11.507  -0.916  -9.004
  166    H    ASP  22           HN       ASP  22 -12.424  -1.971 -10.666
  167    HA   ASP  22           HA       ASP  22 -15.112  -3.058 -10.359
  168   1HB   ASP  22          HB2       ASP  22 -15.228  -3.185 -12.711
  169   2HB   ASP  22          HB3       ASP  22 -14.300  -1.723 -12.398
  170    H    GLU  23           HN       GLU  23 -12.298  -4.104  -9.457
  171    HA   GLU  23           HA       GLU  23 -12.502  -6.869 -10.418
  172   1HB   GLU  23          HB2       GLU  23 -10.417  -5.414  -8.773
  173   2HB   GLU  23          HB3       GLU  23 -10.368  -7.141  -9.092
  174   1HG   GLU  23          HG2       GLU  23 -10.319  -5.018 -11.212
  175   2HG   GLU  23          HG3       GLU  23  -8.905  -5.838 -10.557
  176    HA   PRO  24           HA       PRO  24 -14.916  -8.079  -6.859
  177   1HB   PRO  24          HB3       PRO  24 -13.380 -10.605  -7.132
  178   2HB   PRO  24          HB2       PRO  24 -15.124 -10.352  -7.082
  179   1HG   PRO  24          HG2       PRO  24 -13.840 -10.930  -9.357
  180   2HG   PRO  24          HG3       PRO  24 -15.235  -9.830  -9.334
  181   1HD   PRO  24          HD2       PRO  24 -12.341  -9.260  -9.601
  182   2HD   PRO  24          HD3       PRO  24 -13.717  -8.389 -10.310
  183    HA   PRO  25           HA       PRO  25 -12.145  -7.418  -3.429
  184   1HB   PRO  25          HB3       PRO  25 -13.557  -8.791  -1.508
  185   2HB   PRO  25          HB2       PRO  25 -13.831  -7.109  -1.957
  186   1HG   PRO  25          HG2       PRO  25 -15.278  -9.567  -2.800
  187   2HG   PRO  25          HG3       PRO  25 -15.942  -7.957  -2.453
  188   1HD   PRO  25          HD3       PRO  25 -15.619  -8.812  -4.974
  189   2HD   PRO  25          HD2       PRO  25 -15.336  -7.113  -4.536
  190    H    LYS  26           HN       LYS  26 -10.393  -8.425  -2.754
  191    HA   LYS  26           HA       LYS  26 -10.338 -11.263  -2.293
  192   1HB   LYS  26          HB3       LYS  26  -8.733 -10.012  -4.540
  193   2HB   LYS  26          HB2       LYS  26  -8.326 -11.549  -3.803
  194   1HG   LYS  26          HG2       LYS  26 -10.400 -12.534  -4.540
  195   2HG   LYS  26          HG3       LYS  26 -10.905 -10.999  -5.262
  196   1HD   LYS  26          HD2       LYS  26  -8.444 -12.591  -6.026
  197   2HD   LYS  26          HD3       LYS  26  -9.957 -12.541  -6.932
  198   1HE   LYS  26          HE2       LYS  26  -9.666 -10.271  -7.480
  199   2HE   LYS  26          HE3       LYS  26  -8.360 -10.062  -6.306
  200   1HZ   LYS  26          HZ1       LYS  26  -7.906 -12.108  -8.303
  201   2HZ   LYS  26          HZ2       LYS  26  -6.849 -10.912  -7.699
  202   3HZ   LYS  26          HZ3       LYS  26  -7.992 -10.527  -8.888
  203    H    LEU  27           HN       LEU  27  -8.057 -11.905  -1.648
  204    HA   LEU  27           HA       LEU  27  -7.183 -10.031   0.344
  205   1HB   LEU  27          HB3       LEU  27  -7.333 -12.585   0.494
  206   2HB   LEU  27          HB2       LEU  27  -5.810 -12.615  -0.383
  207    HG   LEU  27           HG       LEU  27  -6.129 -11.108   2.219
  208   1HD1  LEU  27          HD11      LEU  27  -6.281 -13.039   3.323
  209   2HD1  LEU  27          HD12      LEU  27  -6.282 -13.943   1.807
  210   3HD1  LEU  27          HD13      LEU  27  -4.756 -13.548   2.597
  211   1HD2  LEU  27          HD21      LEU  27  -3.620 -12.447   1.322
  212   2HD2  LEU  27          HD22      LEU  27  -4.107 -10.984   0.459
  213   3HD2  LEU  27          HD23      LEU  27  -3.829 -10.934   2.210
  214    H    ARG  28           HN       ARG  28  -5.421  -8.768   0.368
  215    HA   ARG  28           HA       ARG  28  -3.299  -9.194  -1.532
  216   1HB   ARG  28          HB2       ARG  28  -3.278  -6.917  -2.436
  217   2HB   ARG  28          HB3       ARG  28  -4.761  -7.750  -2.862
  218   1HG   ARG  28          HG2       ARG  28  -4.699  -5.945  -0.488
  219   2HG   ARG  28          HG3       ARG  28  -4.874  -5.288  -2.113
  220   1HD   ARG  28          HD2       ARG  28  -6.696  -7.237  -0.692
  221   2HD   ARG  28          HD3       ARG  28  -7.073  -5.591  -1.209
  222    HE   ARG  28           HE       ARG  28  -7.196  -7.975  -2.777
  223   1HH1  ARG  28          HH12      ARG  28  -8.298  -4.700  -3.390
  224   2HH1  ARG  28          HH11      ARG  28  -6.756  -4.311  -4.095
  225   1HH2  ARG  28          HH22      ARG  28  -7.076  -7.879  -5.097
  226   2HH2  ARG  28          HH21      ARG  28  -7.698  -6.405  -5.766
  227    H    TYR  29           HN       TYR  29  -1.443  -8.792  -0.688
  228    HA   TYR  29           HA       TYR  29  -1.330  -7.672   1.992
  229   1HB   TYR  29          HB3       TYR  29   0.907  -8.804   0.297
  230   2HB   TYR  29          HB2       TYR  29   0.999  -8.401   2.005
  231    HD1  TYR  29           HD1      TYR  29  -0.725 -10.666  -0.413
  232    HD2  TYR  29           HD2      TYR  29   0.515 -10.020   3.601
  233    HE1  TYR  29           HE1      TYR  29  -1.336 -12.961   0.141
  234    HE2  TYR  29           HE2      TYR  29  -0.158 -12.316   4.182
  235    HH   TYR  29           HH       TYR  29  -1.017 -14.180   3.461
  236    H    VAL  30           HN       VAL  30  -1.447  -5.530   2.013
  237    HA   VAL  30           HA       VAL  30  -0.242  -3.962  -0.072
  238    HB   VAL  30           HB       VAL  30  -1.531  -2.979   2.483
  239   1HG1  VAL  30          HG21      VAL  30  -1.771  -0.859   1.360
  240   2HG1  VAL  30          HG22      VAL  30  -0.074  -1.340   1.296
  241   3HG1  VAL  30          HG23      VAL  30  -1.100  -1.534  -0.131
  242   1HG2  VAL  30          HG11      VAL  30  -3.325  -3.966   1.588
  243   2HG2  VAL  30          HG12      VAL  30  -3.376  -2.505   0.610
  244   3HG2  VAL  30          HG13      VAL  30  -2.663  -3.976  -0.052
  245    H    PHE  31           HN       PHE  31   1.860  -3.586  -0.091
  246    HA   PHE  31           HA       PHE  31   3.283  -3.205   2.473
  247   1HB   PHE  31          HB2       PHE  31   4.346  -4.255  -0.173
  248   2HB   PHE  31          HB3       PHE  31   5.306  -3.998   1.284
  249    HD1  PHE  31           HD1      PHE  31   4.001  -5.173   3.411
  250    HD2  PHE  31           HD2      PHE  31   3.992  -6.463  -0.634
  251    HE1  PHE  31           HE1      PHE  31   3.590  -7.466   4.174
  252    HE2  PHE  31           HE2      PHE  31   3.558  -8.777   0.098
  253    HZ   PHE  31           HZ       PHE  31   3.374  -9.294   2.512
  254    H    LEU  32           HN       LEU  32   4.038  -1.081   2.753
  255    HA   LEU  32           HA       LEU  32   4.420   0.442   0.258
  256   1HB   LEU  32          HB2       LEU  32   4.242   1.983   2.779
  257   2HB   LEU  32          HB3       LEU  32   3.612   2.318   1.172
  258    HG   LEU  32           HG       LEU  32   2.324   0.394   3.113
  259   1HD1  LEU  32          HD11      LEU  32   1.210   2.100   4.023
  260   2HD1  LEU  32          HD12      LEU  32   2.509   3.099   3.381
  261   3HD1  LEU  32          HD13      LEU  32   0.998   2.939   2.475
  262   1HD2  LEU  32          HD21      LEU  32   1.141   1.712   0.695
  263   2HD2  LEU  32          HD22      LEU  32   1.964   0.152   0.573
  264   3HD2  LEU  32          HD23      LEU  32   0.525   0.313   1.592
  265    H    PHE  33           HN       PHE  33   6.510   0.759  -0.233
  266    HA   PHE  33           HA       PHE  33   8.418   1.265   1.945
  267   1HB   PHE  33          HB3       PHE  33   8.983  -0.535  -0.432
  268   2HB   PHE  33          HB2       PHE  33  10.169  -0.038   0.770
  269    HD1  PHE  33           HD1      PHE  33   6.936  -1.871   0.444
  270    HD2  PHE  33           HD2      PHE  33  10.554  -1.328   2.654
  271    HE1  PHE  33           HE1      PHE  33   6.361  -3.803   1.879
  272    HE2  PHE  33           HE2      PHE  33  10.013  -3.269   4.058
  273    HZ   PHE  33           HZ       PHE  33   7.913  -4.488   3.687
  274    H    ARG  34           HN       ARG  34   8.868   3.316   1.647
  275    HA   ARG  34           HA       ARG  34   9.597   5.267   0.751
  276   1HB   ARG  34          HB2       ARG  34  10.472   3.440  -1.490
  277   2HB   ARG  34          HB3       ARG  34  10.715   5.186  -1.549
  278   1HG   ARG  34          HG2       ARG  34  11.947   5.041   0.574
  279   2HG   ARG  34          HG3       ARG  34  11.802   3.275   0.520
  280   1HD   ARG  34          HD2       ARG  34  13.145   3.144  -1.431
  281   2HD   ARG  34          HD3       ARG  34  13.074   4.897  -1.697
  282    HE   ARG  34           HE       ARG  34  14.877   3.469   0.037
  283   1HH1  ARG  34          HH11      ARG  34  13.574   6.615  -0.821
  284   2HH1  ARG  34          HH12      ARG  34  14.941   7.410  -0.098
  285   1HH2  ARG  34          HH21      ARG  34  16.623   4.988   0.914
  286   2HH2  ARG  34          HH22      ARG  34  15.784   6.076   1.996
  287    H    ASN  35           HN       ASN  35   9.406   5.943  -2.138
  288    HA   ASN  35           HA       ASN  35   6.655   6.746  -2.133
  289   1HB   ASN  35          HB2       ASN  35   9.064   7.312  -3.713
  290   2HB   ASN  35          HB3       ASN  35   7.568   7.396  -4.646
  291   1HD2  ASN  35          HD21      ASN  35   6.723   9.337  -4.723
  292   2HD2  ASN  35          HD22      ASN  35   6.878  10.593  -3.535
  293    H    LYS  36           HN       LYS  36   5.903   4.378  -2.091
  294    HA   LYS  36           HA       LYS  36   4.707   3.712  -4.509
  295   1HB   LYS  36          HB3       LYS  36   5.836   1.764  -5.287
  296   2HB   LYS  36          HB2       LYS  36   7.029   3.047  -5.184
  297   1HG   LYS  36          HG2       LYS  36   8.073   2.116  -3.352
  298   2HG   LYS  36          HG3       LYS  36   6.716   1.063  -2.957
  299   1HD   LYS  36          HD3       LYS  36   8.466  -0.299  -3.979
  300   2HD   LYS  36          HD2       LYS  36   7.135  -0.142  -5.138
  301   1HE   LYS  36          HE2       LYS  36   8.313   1.611  -6.285
  302   2HE   LYS  36          HE3       LYS  36   9.620   1.552  -5.102
  303   1HZ   LYS  36          HZ1       LYS  36   9.133  -1.037  -6.155
  304   2HZ   LYS  36          HZ2       LYS  36  10.551  -0.117  -6.252
  305   3HZ   LYS  36          HZ3       LYS  36   9.356   0.036  -7.449
  306    H    ILE  37           HN       ILE  37   3.684   1.603  -4.485
  307    HA   ILE  37           HA       ILE  37   3.343   0.388  -1.808
  308    HB   ILE  37           HB       ILE  37   1.065   0.902  -3.746
  309   1HG1  ILE  37          HG13      ILE  37   1.593   2.166  -1.054
  310   2HG1  ILE  37          HG12      ILE  37   1.845   2.961  -2.602
  311   1HG2  ILE  37          HG21      ILE  37   0.777  -1.179  -2.483
  312   2HG2  ILE  37          HG22      ILE  37   0.953  -0.311  -0.965
  313   3HG2  ILE  37          HG23      ILE  37  -0.434   0.013  -2.016
  314   1HD1  ILE  37          HD11      ILE  37  -0.835   1.856  -2.266
  315   2HD1  ILE  37          HD12      ILE  37  -0.443   3.119  -1.105
  316   3HD1  ILE  37          HD13      ILE  37  -0.341   3.444  -2.837
  317    H    MET  38           HN       MET  38   4.477  -1.426  -2.235
  318    HA   MET  38           HA       MET  38   4.120  -2.833  -4.770
  319   1HB   MET  38          HB2       MET  38   6.371  -2.457  -3.505
  320   2HB   MET  38          HB3       MET  38   5.843  -3.810  -2.513
  321   1HG   MET  38          HG2       MET  38   5.558  -5.070  -4.692
  322   2HG   MET  38          HG3       MET  38   6.484  -3.760  -5.425
  323   1HE   MET  38          HE1       MET  38   8.346  -7.235  -4.867
  324   2HE   MET  38          HE2       MET  38   7.107  -6.413  -5.814
  325   3HE   MET  38          HE3       MET  38   8.810  -5.944  -5.970
  326    H    PHE  39           HN       PHE  39   1.811  -2.861  -3.420
  327    HA   PHE  39           HA       PHE  39   1.426  -5.011  -1.671
  328   1HB   PHE  39          HB2       PHE  39  -0.943  -4.739  -2.055
  329   2HB   PHE  39          HB3       PHE  39  -0.183  -3.176  -1.851
  330    HD1  PHE  39           HD1      PHE  39  -2.888  -3.575  -2.894
  331    HD2  PHE  39           HD2      PHE  39   0.850  -3.378  -4.944
  332    HE1  PHE  39           HE1      PHE  39  -4.035  -2.759  -4.909
  333    HE2  PHE  39           HE2      PHE  39  -0.286  -2.549  -6.959
  334    HZ   PHE  39           HZ       PHE  39  -2.729  -2.258  -6.965
  335    H    THR  40           HN       THR  40   1.150  -7.127  -1.890
  336    HA   THR  40           HA       THR  40   1.277  -8.254  -4.582
  337    HB   THR  40           HB       THR  40   1.553 -10.430  -3.246
  338    HG1  THR  40           HG1      THR  40   0.714  -9.425  -1.316
  339   1HG2  THR  40          HG21      THR  40   3.457  -8.730  -4.080
  340   2HG2  THR  40          HG22      THR  40   3.802 -10.237  -3.239
  341   3HG2  THR  40          HG23      THR  40   3.770  -8.717  -2.346
  342    H    GLU  41           HN       GLU  41  -0.559  -8.667  -5.535
  343    HA   GLU  41           HA       GLU  41  -3.044  -8.844  -4.168
  344   1HB   GLU  41          HB3       GLU  41  -2.179  -8.341  -6.765
  345   2HB   GLU  41          HB2       GLU  41  -3.060  -9.857  -6.896
  346   1HG   GLU  41          HG3       GLU  41  -4.355  -7.698  -5.365
  347   2HG   GLU  41          HG2       GLU  41  -4.245  -7.485  -7.106
  348    H    GLN  42           HN       GLN  42  -4.583 -10.783  -4.805
  349    HA   GLN  42           HA       GLN  42  -3.193 -13.337  -4.892
  350   1HB   GLN  42          HB3       GLN  42  -3.367 -12.694  -2.488
  351   2HB   GLN  42          HB2       GLN  42  -5.116 -12.679  -2.656
  352   1HG   GLN  42          HG2       GLN  42  -4.553 -14.737  -1.678
  353   2HG   GLN  42          HG3       GLN  42  -4.996 -15.057  -3.348
  354   1HE2  GLN  42          HE21      GLN  42  -2.053 -13.604  -3.325
  355   2HE2  GLN  42          HE22      GLN  42  -1.009 -14.941  -3.055
  356    H    ASP  43           HN       ASP  43  -4.674 -15.140  -5.243
  357    HA   ASP  43           HA       ASP  43  -7.139 -14.249  -6.606
  358   1HB   ASP  43          HB3       ASP  43  -5.521 -15.044  -8.241
  359   2HB   ASP  43          HB2       ASP  43  -5.309 -16.547  -7.347
  360    H    ALA  44           HN       ALA  44  -8.479 -14.594  -4.923
  361    HA   ALA  44           HA       ALA  44  -9.880 -15.671  -3.520
  362   1HB   ALA  44          HB1       ALA  44  -9.305 -18.307  -4.797
  363   2HB   ALA  44          HB2       ALA  44 -10.833 -17.654  -4.198
  364   3HB   ALA  44          HB3       ALA  44 -10.142 -17.047  -5.705
  365    H    SER  45           HN       SER  45  -6.869 -15.724  -3.115
  366    HA   SER  45           HA       SER  45  -5.414 -16.334  -1.503
  367   1HB   SER  45          HB3       SER  45  -7.799 -17.455  -0.028
  368   2HB   SER  45          HB2       SER  45  -6.249 -16.975   0.673
  369    HG   SER  45           HG       SER  45  -7.938 -15.371   0.888
  370    H    THR  46           HN       THR  46  -3.999 -17.834  -2.015
  371    HA   THR  46           HA       THR  46  -3.026 -19.782  -2.530
  372    HB   THR  46           HB       THR  46  -3.534 -21.680  -0.945
  373    HG1  THR  46           HG1      THR  46  -4.926 -21.318   0.727
  374   1HG2  THR  46          HG21      THR  46  -2.984 -18.984   0.222
  375   2HG2  THR  46          HG22      THR  46  -1.841 -20.234  -0.255
  376   3HG2  THR  46          HG23      THR  46  -2.892 -20.490   1.137
  377    H    SER  47           HN       SER  47  -4.426 -19.484  -4.590
  378    HA   SER  47           HA       SER  47  -5.946 -22.015  -4.957
  379   1HB   SER  47          HB3       SER  47  -6.261 -19.485  -6.599
  380   2HB   SER  47          HB2       SER  47  -7.282 -20.925  -6.673
  381    HG   SER  47           HG       SER  47  -7.480 -18.800  -5.054
  382    HA   PRO  48           HA       PRO  48  -3.288 -23.579  -8.121
  383   1HB   PRO  48          HB2       PRO  48  -5.339 -22.914 -10.183
  384   2HB   PRO  48          HB3       PRO  48  -4.393 -24.396  -9.960
  385   1HG   PRO  48          HG3       PRO  48  -6.930 -24.324  -9.123
  386   2HG   PRO  48          HG2       PRO  48  -5.681 -25.071  -8.106
  387   1HD   PRO  48          HD3       PRO  48  -6.990 -22.399  -7.814
  388   2HD   PRO  48          HD2       PRO  48  -6.491 -23.544  -6.555
  389    HA   PRO  49           HA       PRO  49  -2.579 -19.929 -11.130
  390   1HB   PRO  49          HB2       PRO  49  -4.585 -17.840 -10.736
  391   2HB   PRO  49          HB3       PRO  49  -4.188 -18.737 -12.206
  392   1HG   PRO  49          HG3       PRO  49  -6.545 -19.064 -10.871
  393   2HG   PRO  49          HG2       PRO  49  -5.746 -20.349 -11.806
  394   1HD   PRO  49          HD2       PRO  49  -5.702 -19.913  -8.836
  395   2HD   PRO  49          HD3       PRO  49  -5.926 -21.419  -9.751
  396    H    SER  50           HN       SER  50  -4.335 -17.990  -8.724
  397    HA   SER  50           HA       SER  50  -3.704 -16.497  -7.147
  398   1HB   SER  50          HB2       SER  50  -1.133 -18.099  -7.137
  399   2HB   SER  50          HB3       SER  50  -1.596 -16.899  -5.930
  400    HG   SER  50           HG       SER  50  -2.706 -19.428  -6.423
  401    H    TYR  51           HN       TYR  51  -1.950 -14.779  -6.603
  402    HA   TYR  51           HA       TYR  51  -0.983 -13.723  -9.167
  403   1HB   TYR  51          HB3       TYR  51  -2.100 -12.350  -6.738
  404   2HB   TYR  51          HB2       TYR  51  -1.020 -11.494  -7.835
  405    HD1  TYR  51           HD1      TYR  51  -4.090 -13.653  -8.003
  406    HD2  TYR  51           HD2      TYR  51  -2.039 -10.235  -9.486
  407    HE1  TYR  51           HE1      TYR  51  -5.993 -13.156  -9.442
  408    HE2  TYR  51           HE2      TYR  51  -3.912  -9.743 -10.968
  409    HH   TYR  51           HH       TYR  51  -6.695 -10.410 -10.747
  410    H    THR  52           HN       THR  52   1.129 -13.612  -9.447
  411    HA   THR  52           HA       THR  52   2.892 -13.715  -7.085
  412    HB   THR  52           HB       THR  52   4.588 -14.557  -8.668
  413    HG1  THR  52           HG1      THR  52   3.338 -13.478 -10.496
  414   1HG2  THR  52          HG21      THR  52   2.114 -16.195  -9.066
  415   2HG2  THR  52          HG22      THR  52   2.952 -16.111  -7.515
  416   3HG2  THR  52          HG23      THR  52   3.791 -16.739  -8.936
  417    H    HIS  53           HN       HIS  53   3.111 -11.651  -6.522
  418    HA   HIS  53           HA       HIS  53   3.905  -9.528  -6.536
  419   1HB   HIS  53          HB2       HIS  53   5.182 -10.225  -9.183
  420   2HB   HIS  53          HB3       HIS  53   5.586  -8.857  -8.160
  421    HD1  HIS  53           HD1      HIS  53   6.289  -9.845  -5.551
  422    HD2  HIS  53           HD2      HIS  53   7.074 -12.114  -8.947
  423    HE1  HIS  53           HE1      HIS  53   8.109 -11.432  -4.907
  424    HE2  HIS  53           HE2      HIS  53   8.647 -12.696  -7.010
  425    H    TYR  54           HN       TYR  54   4.038  -9.288  -9.949
  426    HA   TYR  54           HA       TYR  54   2.844  -8.209 -11.534
  427   1HB   TYR  54          HB3       TYR  54   0.742  -9.527  -9.898
  428   2HB   TYR  54          HB2       TYR  54   0.210  -8.250 -10.980
  429    HD1  TYR  54           HD1      TYR  54   2.805 -10.926 -11.383
  430    HD2  TYR  54           HD2      TYR  54  -0.851  -9.248 -12.794
  431    HE1  TYR  54           HE1      TYR  54   2.785 -12.521 -13.221
  432    HE2  TYR  54           HE2      TYR  54  -0.823 -10.794 -14.708
  433    HH   TYR  54           HH       TYR  54   1.229 -12.175 -15.945
  434    H    SER  55           HN       SER  55   0.557  -7.448  -9.051
  435    HA   SER  55           HA       SER  55   0.056  -4.868  -9.768
  436   1HB   SER  55          HB3       SER  55  -0.070  -5.958  -6.955
  437   2HB   SER  55          HB2       SER  55  -1.028  -4.630  -7.612
  438    HG   SER  55           HG       SER  55  -2.377  -6.036  -8.278
  439    H    SER  56           HN       SER  56   0.880  -2.898  -9.433
  440    HA   SER  56           HA       SER  56   2.819  -2.350  -7.380
  441   1HB   SER  56          HB3       SER  56   4.432  -1.386  -9.089
  442   2HB   SER  56          HB2       SER  56   4.372  -3.144  -8.975
  443    HG   SER  56           HG       SER  56   2.632  -2.730 -10.756
  444    H    ILE  57           HN       ILE  57   2.645  -0.278  -6.693
  445    HA   ILE  57           HA       ILE  57   1.124   1.651  -8.359
  446    HB   ILE  57           HB       ILE  57   1.049   1.189  -5.378
  447   1HG1  ILE  57          HG12      ILE  57  -0.453  -0.212  -6.767
  448   2HG1  ILE  57          HG13      ILE  57  -1.347   0.838  -5.667
  449   1HG2  ILE  57          HG21      ILE  57  -0.009   3.192  -4.930
  450   2HG2  ILE  57          HG22      ILE  57   1.131   3.675  -6.182
  451   3HG2  ILE  57          HG23      ILE  57  -0.559   3.391  -6.595
  452   1HD1  ILE  57          HD11      ILE  57  -0.867   1.616  -8.533
  453   2HD1  ILE  57          HD12      ILE  57  -2.275   0.674  -8.030
  454   3HD1  ILE  57          HD13      ILE  57  -2.020   2.297  -7.378
  455    H    ARG  58           HN       ARG  58   1.673   3.894  -7.965
  456    HA   ARG  58           HA       ARG  58   4.411   4.304  -6.956
  457   1HB   ARG  58          HB2       ARG  58   4.882   5.839  -8.674
  458   2HB   ARG  58          HB3       ARG  58   4.176   4.443  -9.467
  459   1HG   ARG  58          HG2       ARG  58   2.558   6.864  -8.749
  460   2HG   ARG  58          HG3       ARG  58   3.405   6.712 -10.283
  461   1HD   ARG  58          HD2       ARG  58   1.314   4.803  -9.260
  462   2HD   ARG  58          HD3       ARG  58   1.018   6.081 -10.437
  463    HE   ARG  58           HE       ARG  58   2.090   3.519 -10.945
  464   1HH1  ARG  58          HH11      ARG  58   3.932   6.385 -12.123
  465   2HH1  ARG  58          HH12      ARG  58   2.577   6.720 -13.167
  466   1HH2  ARG  58          HH21      ARG  58   3.751   3.472 -13.200
  467   2HH2  ARG  58          HH22      ARG  58   2.276   3.883 -14.026
  468    H    LEU  59           HN       LEU  59   4.759   6.054  -5.652
  469    HA   LEU  59           HA       LEU  59   2.340   7.419  -4.751
  470   1HB   LEU  59          HB2       LEU  59   4.928   6.752  -3.541
  471   2HB   LEU  59          HB3       LEU  59   4.295   8.333  -3.107
  472    HG   LEU  59           HG       LEU  59   2.297   7.335  -2.190
  473   1HD1  LEU  59          HD11      LEU  59   2.942   4.561  -2.285
  474   2HD1  LEU  59          HD12      LEU  59   1.505   5.378  -2.911
  475   3HD1  LEU  59          HD13      LEU  59   2.938   5.203  -3.921
  476   1HD2  LEU  59          HD21      LEU  59   4.808   5.919  -1.302
  477   2HD2  LEU  59          HD22      LEU  59   4.116   7.408  -0.685
  478   3HD2  LEU  59          HD23      LEU  59   3.276   5.892  -0.414
  479    H    ASP  60           HN       ASP  60   5.107   8.036  -6.703
  480    HA   ASP  60           HA       ASP  60   5.367  10.814  -6.217
  481   1HB   ASP  60          HB3       ASP  60   7.075   9.271  -7.323
  482   2HB   ASP  60          HB2       ASP  60   6.050   9.342  -8.755
  483    H    LYS  61           HN       LYS  61   3.334   8.913  -8.341
  484    HA   LYS  61           HA       LYS  61   1.901  11.375  -8.975
  485   1HB   LYS  61          HB2       LYS  61   2.843   9.354 -10.985
  486   2HB   LYS  61          HB3       LYS  61   1.590  10.531 -11.355
  487   1HG   LYS  61          HG3       LYS  61   3.229  12.326 -10.762
  488   2HG   LYS  61          HG2       LYS  61   4.460  11.066 -10.668
  489   1HD   LYS  61          HD3       LYS  61   3.955  10.410 -12.995
  490   2HD   LYS  61          HD2       LYS  61   2.825  11.763 -13.079
  491   1HE   LYS  61          HE3       LYS  61   4.608  13.344 -12.724
  492   2HE   LYS  61          HE2       LYS  61   5.739  12.015 -12.482
  493   1HZ   LYS  61          HZ1       LYS  61   5.423  11.319 -14.747
  494   2HZ   LYS  61          HZ2       LYS  61   5.936  12.935 -14.694
  495   3HZ   LYS  61          HZ3       LYS  61   4.311  12.580 -15.015
  496    H    TYR  62           HN       TYR  62   0.602  10.304  -7.218
  497    HA   TYR  62           HA       TYR  62  -1.515   8.853  -8.553
  498   1HB   TYR  62          HB3       TYR  62  -1.613   7.005  -7.213
  499   2HB   TYR  62          HB2       TYR  62   0.119   7.309  -7.186
  500    HD1  TYR  62           HD1      TYR  62  -2.705   6.736  -5.171
  501    HD2  TYR  62           HD2      TYR  62   1.020   8.780  -5.242
  502    HE1  TYR  62           HE1      TYR  62  -2.712   6.821  -2.716
  503    HE2  TYR  62           HE2      TYR  62   1.042   8.871  -2.786
  504    HH   TYR  62           HH       TYR  62  -0.563   8.751  -0.894
  505    H    ASN  63           HN       ASN  63  -3.596   9.083  -7.526
  506    HA   ASN  63           HA       ASN  63  -3.754  11.493  -5.868
  507   1HB   ASN  63          HB3       ASN  63  -5.018  11.455  -8.024
  508   2HB   ASN  63          HB2       ASN  63  -5.892  10.037  -7.451
  509   1HD2  ASN  63          HD21      ASN  63  -6.266  13.151  -7.959
  510   2HD2  ASN  63          HD22      ASN  63  -7.609  13.389  -6.912
  511    H    ILE  64           HN       ILE  64  -4.359  11.294  -3.786
  512    HA   ILE  64           HA       ILE  64  -5.533   8.731  -2.931
  513    HB   ILE  64           HB       ILE  64  -3.176   8.754  -2.322
  514   1HG1  ILE  64          HG12      ILE  64  -3.485   8.570   0.212
  515   2HG1  ILE  64          HG13      ILE  64  -5.180   8.940  -0.070
  516   1HG2  ILE  64          HG21      ILE  64  -2.885  10.585  -0.267
  517   2HG2  ILE  64          HG22      ILE  64  -2.221  10.694  -1.893
  518   3HG2  ILE  64          HG23      ILE  64  -3.749  11.479  -1.514
  519   1HD1  ILE  64          HD11      ILE  64  -3.699   6.476  -0.490
  520   2HD1  ILE  64          HD12      ILE  64  -5.427   6.729  -0.286
  521   3HD1  ILE  64          HD13      ILE  64  -4.693   6.923  -1.872
  522    H    ARG  65           HN       ARG  65  -7.194   8.802  -1.572
  523    HA   ARG  65           HA       ARG  65  -7.900  11.374  -0.312
  524   1HB   ARG  65          HB3       ARG  65  -9.836   9.513  -1.710
  525   2HB   ARG  65          HB2       ARG  65 -10.272  10.972  -0.832
  526   1HG   ARG  65          HG2       ARG  65  -8.590  10.863  -3.304
  527   2HG   ARG  65          HG3       ARG  65 -10.297  11.311  -3.243
  528   1HD   ARG  65          HD3       ARG  65  -9.825  13.299  -2.022
  529   2HD   ARG  65          HD2       ARG  65  -8.192  12.759  -1.657
  530    HE   ARG  65           HE       ARG  65  -8.489  12.992  -4.463
  531   1HH1  ARG  65          HH11      ARG  65  -7.281  15.084  -1.678
  532   2HH1  ARG  65          HH12      ARG  65  -8.644  16.036  -2.205
  533   1HH2  ARG  65          HH22      ARG  65  -8.134  15.858  -5.212
  534   2HH2  ARG  65          HH21      ARG  65  -6.535  15.238  -4.895
  535    H    GLN  66           HN       GLN  66  -9.375  11.186   1.453
  536    HA   GLN  66           HA       GLN  66  -9.426   8.571   2.852
  537   1HB   GLN  66          HB2       GLN  66  -7.461   9.733   3.647
  538   2HB   GLN  66          HB3       GLN  66  -8.381  11.213   3.884
  539   1HG   GLN  66          HG2       GLN  66  -9.625  10.176   5.688
  540   2HG   GLN  66          HG3       GLN  66  -8.777   8.644   5.407
  541   1HE2  GLN  66          HE21      GLN  66  -8.790  11.418   7.206
  542   2HE2  GLN  66          HE22      GLN  66  -7.122  11.534   7.634
  543    H    HIS  67           HN       HIS  67 -11.511   8.183   3.434
  544    HA   HIS  67           HA       HIS  67 -13.289  10.495   3.755
  545   1HB   HIS  67          HB3       HIS  67 -13.875   7.576   3.224
  546   2HB   HIS  67          HB2       HIS  67 -15.117   8.798   3.476
  547    HD1  HIS  67           HD1      HIS  67 -14.981  10.860   1.631
  548    HD2  HIS  67           HD2      HIS  67 -13.206   7.217   0.642
  549    HE1  HIS  67           HE1      HIS  67 -14.736  10.872  -0.891
  550    HE2  HIS  67           HE2      HIS  67 -13.853   8.572  -1.464
  551    H    THR  68           HN       THR  68 -12.798  11.012   5.901
  552    HA   THR  68           HA       THR  68 -12.975   8.967   7.929
  553    HB   THR  68           HB       THR  68 -12.736  11.122   9.409
  554    HG1  THR  68           HG1      THR  68 -11.364  12.306   7.363
  555   1HG2  THR  68          HG21      THR  68 -10.958   9.302   8.553
  556   2HG2  THR  68          HG22      THR  68 -10.515  10.707   9.521
  557   3HG2  THR  68          HG23      THR  68 -10.312  10.746   7.775
  558    H    THR  69           HN       THR  69 -15.073   8.257   7.779
  559    HA   THR  69           HA       THR  69 -17.005   9.848   9.227
  560    HB   THR  69           HB       THR  69 -17.632   8.733   6.486
  561    HG1  THR  69           HG1      THR  69 -16.750  11.156   7.339
  562   1HG2  THR  69          HG21      THR  69 -19.773   8.852   6.975
  563   2HG2  THR  69          HG22      THR  69 -19.601  10.571   7.373
  564   3HG2  THR  69          HG23      THR  69 -19.382   9.333   8.627
  565    H    ASP  70           HN       ASP  70 -16.608   8.332  10.818
  566    HA   ASP  70           HA       ASP  70 -17.174   6.576  12.078
  567   1HB   ASP  70          HB3       ASP  70 -18.772   5.652   9.683
  568   2HB   ASP  70          HB2       ASP  70 -18.676   4.754  11.194
  569    H    GLU  71           HN       GLU  71 -16.408   5.623   8.750
  570    HA   GLU  71           HA       GLU  71 -14.322   3.859   9.849
  571   1HB   GLU  71          HB3       GLU  71 -16.430   3.105   8.250
  572   2HB   GLU  71          HB2       GLU  71 -15.156   3.403   7.079
  573   1HG   GLU  71          HG3       GLU  71 -14.837   1.584   9.453
  574   2HG   GLU  71          HG2       GLU  71 -15.390   1.041   7.869
  575    H    ASP  72           HN       ASP  72 -12.309   4.557   9.393
  576    HA   ASP  72           HA       ASP  72 -11.937   6.848   7.691
  577   1HB   ASP  72          HB2       ASP  72  -9.777   5.181   8.955
  578   2HB   ASP  72          HB3       ASP  72  -9.690   6.864   8.450
  579    H    THR  73           HN       THR  73 -12.853   5.486   5.830
  580    HA   THR  73           HA       THR  73 -11.192   3.497   4.661
  581    HB   THR  73           HB       THR  73 -13.494   5.072   3.523
  582    HG1  THR  73           HG1      THR  73 -13.295   2.961   5.231
  583   1HG2  THR  73          HG21      THR  73 -12.510   4.213   1.589
  584   2HG2  THR  73          HG22      THR  73 -13.670   2.968   2.056
  585   3HG2  THR  73          HG23      THR  73 -11.966   2.753   2.415
  586    H    ILE  74           HN       ILE  74  -9.469   3.669   3.494
  587    HA   ILE  74           HA       ILE  74  -8.691   6.254   2.410
  588    HB   ILE  74           HB       ILE  74  -7.103   3.703   2.753
  589   1HG1  ILE  74          HG12      ILE  74  -7.515   4.779   4.882
  590   2HG1  ILE  74          HG13      ILE  74  -5.832   5.042   4.428
  591   1HG2  ILE  74          HG21      ILE  74  -5.988   6.372   1.945
  592   2HG2  ILE  74          HG22      ILE  74  -5.191   4.791   1.913
  593   3HG2  ILE  74          HG23      ILE  74  -6.495   5.149   0.791
  594   1HD1  ILE  74          HD11      ILE  74  -7.590   6.970   5.268
  595   2HD1  ILE  74          HD12      ILE  74  -6.103   7.246   4.358
  596   3HD1  ILE  74          HD13      ILE  74  -7.642   7.143   3.506
  597    H    VAL  75           HN       VAL  75  -8.783   6.624   0.230
  598    HA   VAL  75           HA       VAL  75  -9.001   4.313  -1.561
  599    HB   VAL  75           HB       VAL  75 -10.668   5.384  -2.868
  600   1HG1  VAL  75          HG11      VAL  75 -11.293   5.461   0.050
  601   2HG1  VAL  75          HG12      VAL  75 -12.530   5.863  -1.133
  602   3HG1  VAL  75          HG13      VAL  75 -11.780   4.258  -1.142
  603   1HG2  VAL  75          HG21      VAL  75 -10.483   7.818  -1.110
  604   2HG2  VAL  75          HG22      VAL  75  -9.872   7.676  -2.761
  605   3HG2  VAL  75          HG23      VAL  75 -11.605   7.573  -2.440
  606    H    LEU  76           HN       LEU  76  -8.175   4.713  -3.691
  607    HA   LEU  76           HA       LEU  76  -6.704   7.209  -4.006
  608   1HB   LEU  76          HB3       LEU  76  -4.721   6.088  -4.850
  609   2HB   LEU  76          HB2       LEU  76  -5.036   5.685  -3.170
  610    HG   LEU  76           HG       LEU  76  -6.015   3.881  -5.330
  611   1HD1  LEU  76          HD21      LEU  76  -3.958   3.592  -6.082
  612   2HD1  LEU  76          HD22      LEU  76  -3.232   4.470  -4.734
  613   3HD1  LEU  76          HD23      LEU  76  -3.636   2.754  -4.564
  614   1HD2  LEU  76          HD11      LEU  76  -5.097   2.373  -3.256
  615   2HD2  LEU  76          HD12      LEU  76  -5.685   3.822  -2.434
  616   3HD2  LEU  76          HD13      LEU  76  -6.767   2.903  -3.482
  617    H    GLN  77           HN       GLN  77  -6.648   8.007  -5.890
  618    HA   GLN  77           HA       GLN  77  -8.019   6.577  -8.088
  619   1HB   GLN  77          HB2       GLN  77  -7.880   9.578  -7.750
  620   2HB   GLN  77          HB3       GLN  77  -8.903   8.663  -8.846
  621   1HG   GLN  77          HG3       GLN  77 -10.128   7.741  -6.947
  622   2HG   GLN  77          HG2       GLN  77  -9.151   8.715  -5.846
  623   1HE2  GLN  77          HE21      GLN  77 -10.103  10.489  -5.189
  624   2HE2  GLN  77          HE22      GLN  77 -11.122  11.500  -6.144
  625    HA   PRO  78           HA       PRO  78  -4.325   7.326 -10.359
  626   1HB   PRO  78          HB3       PRO  78  -5.146   6.531 -12.789
  627   2HB   PRO  78          HB2       PRO  78  -5.013   5.411 -11.428
  628   1HG   PRO  78          HG2       PRO  78  -7.407   6.510 -12.741
  629   2HG   PRO  78          HG3       PRO  78  -7.241   5.052 -11.757
  630   1HD   PRO  78          HD3       PRO  78  -8.241   7.613 -10.925
  631   2HD   PRO  78          HD2       PRO  78  -8.102   6.122  -9.969
  632    H    GLN  79           HN       GLN  79  -3.306   8.987 -11.347
  633    HA   GLN  79           HA       GLN  79  -4.976  10.931 -12.777
  634   1HB   GLN  79          HB2       GLN  79  -3.308  12.637 -12.211
  635   2HB   GLN  79          HB3       GLN  79  -3.912  11.847 -10.763
  636   1HG   GLN  79          HG2       GLN  79  -1.903  10.446 -10.703
  637   2HG   GLN  79          HG3       GLN  79  -1.285  11.288 -12.125
  638   1HE2  GLN  79          HE21      GLN  79  -3.083  13.264  -9.997
  639   2HE2  GLN  79          HE22      GLN  79  -1.734  14.042  -9.246
  640    H    GLU  80           HN       GLU  80  -3.139   8.410 -13.311
  641    HA   GLU  80           HA       GLU  80  -1.990   9.462 -15.801
  642   1HB   GLU  80          HB3       GLU  80  -0.991   7.309 -13.955
  643   2HB   GLU  80          HB2       GLU  80  -0.464   7.388 -15.623
  644   1HG   GLU  80          HG2       GLU  80   0.283   9.757 -15.113
  645   2HG   GLU  80          HG3       GLU  80   0.062   9.327 -13.418
  646    HA   PRO  81           HA       PRO  81  -5.107   6.820 -17.683
  647   1HB   PRO  81          HB2       PRO  81  -3.312   7.114 -20.039
  648   2HB   PRO  81          HB3       PRO  81  -5.053   7.435 -19.907
  649   1HG   PRO  81          HG2       PRO  81  -3.301   9.436 -20.016
  650   2HG   PRO  81          HG3       PRO  81  -4.679   9.529 -18.908
  651   1HD   PRO  81          HD3       PRO  81  -1.831   8.855 -18.347
  652   2HD   PRO  81          HD2       PRO  81  -2.920   9.909 -17.427
  653    H    GLY  82           HN       GLY  82  -4.949   4.731 -17.063
  654   1HA   GLY  82          HA1       GLY  82  -4.259   2.574 -18.127
  655   2HA   GLY  82          HA2       GLY  82  -2.615   3.181 -17.996
  656    H    LEU  83           HN       LEU  83  -3.812   4.425 -15.370
  657    HA   LEU  83           HA       LEU  83  -2.948   2.183 -13.715
  658   1HB   LEU  83          HB3       LEU  83  -1.913   4.474 -13.493
  659   2HB   LEU  83          HB2       LEU  83  -3.448   5.064 -12.891
  660    HG   LEU  83           HG       LEU  83  -3.247   3.394 -11.009
  661   1HD1  LEU  83          HD11      LEU  83  -0.529   3.062 -12.254
  662   2HD1  LEU  83          HD12      LEU  83  -0.913   2.618 -10.591
  663   3HD1  LEU  83          HD13      LEU  83  -1.725   1.811 -11.926
  664   1HD2  LEU  83          HD21      LEU  83  -0.936   5.346 -11.140
  665   2HD2  LEU  83          HD22      LEU  83  -2.610   5.835 -10.892
  666   3HD2  LEU  83          HD23      LEU  83  -1.823   4.795  -9.715
  667    HA   PRO  84           HA       PRO  84  -7.253   1.668 -12.526
  668   1HB   PRO  84          HB2       PRO  84  -6.559  -0.314 -10.621
  669   2HB   PRO  84          HB3       PRO  84  -7.126  -0.540 -12.271
  670   1HG   PRO  84          HG3       PRO  84  -4.601  -1.215 -11.385
  671   2HG   PRO  84          HG2       PRO  84  -5.062  -0.949 -13.072
  672   1HD   PRO  84          HD3       PRO  84  -3.734   0.928 -11.134
  673   2HD   PRO  84          HD2       PRO  84  -3.382   0.668 -12.858
  674    H    SER  85           HN       SER  85  -8.615   1.910 -10.719
  675    HA   SER  85           HA       SER  85  -7.425   3.325  -8.407
  676   1HB   SER  85          HB3       SER  85  -9.586   4.583  -8.332
  677   2HB   SER  85          HB2       SER  85  -8.647   4.877  -9.794
  678    HG   SER  85           HG       SER  85 -10.511   2.798  -9.876
  679    H    PHE  86           HN       PHE  86  -7.869   2.497  -6.459
  680    HA   PHE  86           HA       PHE  86 -10.177   0.752  -6.178
  681   1HB   PHE  86          HB2       PHE  86  -8.972  -1.069  -5.272
  682   2HB   PHE  86          HB3       PHE  86  -8.194  -0.637  -6.778
  683    HD1  PHE  86           HD1      PHE  86  -7.900  -0.794  -3.170
  684    HD2  PHE  86           HD2      PHE  86  -5.936   0.239  -6.782
  685    HE1  PHE  86           HE1      PHE  86  -5.756  -0.719  -1.975
  686    HE2  PHE  86           HE2      PHE  86  -3.755   0.271  -5.604
  687    HZ   PHE  86           HZ       PHE  86  -3.681  -0.214  -3.177
  688    H    ARG  87           HN       ARG  87 -10.102  -0.082  -3.673
  689    HA   ARG  87           HA       ARG  87  -9.375   2.171  -1.965
  690   1HB   ARG  87          HB3       ARG  87 -11.540   2.025  -0.809
  691   2HB   ARG  87          HB2       ARG  87 -11.694   2.607  -2.459
  692   1HG   ARG  87          HG2       ARG  87 -12.064  -0.274  -1.843
  693   2HG   ARG  87          HG3       ARG  87 -13.364   0.869  -1.494
  694   1HD   ARG  87          HD2       ARG  87 -12.027   0.434  -4.158
  695   2HD   ARG  87          HD3       ARG  87 -13.626  -0.143  -3.695
  696    HE   ARG  87           HE       ARG  87 -13.508   2.653  -3.346
  697   1HH1  ARG  87          HH12      ARG  87 -14.819   0.368  -5.632
  698   2HH1  ARG  87          HH11      ARG  87 -14.114   1.190  -6.995
  699   1HH2  ARG  87          HH22      ARG  87 -14.758   3.930  -4.822
  700   2HH2  ARG  87          HH21      ARG  87 -14.266   3.708  -6.481
  701    H    ILE  88           HN       ILE  88  -8.824   1.603   0.092
  702    HA   ILE  88           HA       ILE  88  -8.937  -1.270   0.720
  703    HB   ILE  88           HB       ILE  88  -6.841  -0.768   2.130
  704   1HG1  ILE  88          HG12      ILE  88  -6.703   1.461   0.098
  705   2HG1  ILE  88          HG13      ILE  88  -6.908   1.665   1.831
  706   1HG2  ILE  88          HG21      ILE  88  -6.433  -2.308   0.527
  707   2HG2  ILE  88          HG22      ILE  88  -7.093  -1.298  -0.756
  708   3HG2  ILE  88          HG23      ILE  88  -5.471  -0.983  -0.138
  709   1HD1  ILE  88          HD11      ILE  88  -4.514   0.486   0.441
  710   2HD1  ILE  88          HD12      ILE  88  -4.604   2.107   1.118
  711   3HD1  ILE  88          HD13      ILE  88  -4.668   0.696   2.180
  712    H    LYS  89           HN       LYS  89  -9.805  -1.871   2.615
  713    HA   LYS  89           HA       LYS  89  -9.894   0.047   4.797
  714   1HB   LYS  89          HB3       LYS  89 -12.230  -0.087   5.184
  715   2HB   LYS  89          HB2       LYS  89 -12.021   0.325   3.491
  716   1HG   LYS  89          HG2       LYS  89 -12.609  -1.834   2.790
  717   2HG   LYS  89          HG3       LYS  89 -12.571  -2.449   4.452
  718   1HD   LYS  89          HD3       LYS  89 -14.335  -0.178   4.149
  719   2HD   LYS  89          HD2       LYS  89 -14.807  -1.530   3.114
  720   1HE   LYS  89          HE3       LYS  89 -15.937  -1.952   5.067
  721   2HE   LYS  89          HE2       LYS  89 -14.498  -2.946   5.253
  722   1HZ   LYS  89          HZ1       LYS  89 -15.414  -0.728   6.825
  723   2HZ   LYS  89          HZ2       LYS  89 -13.780  -0.560   6.385
  724   3HZ   LYS  89          HZ3       LYS  89 -14.310  -1.949   7.210
  725    HA   PRO  90           HA       PRO  90  -8.943  -3.745   6.850
  726   1HB   PRO  90          HB3       PRO  90  -9.365  -3.082   9.411
  727   2HB   PRO  90          HB2       PRO  90  -8.013  -2.424   8.477
  728   1HG   PRO  90          HG2       PRO  90 -10.632  -1.126   9.153
  729   2HG   PRO  90          HG3       PRO  90  -9.005  -0.423   9.135
  730   1HD   PRO  90          HD3       PRO  90 -10.833  -0.136   7.124
  731   2HD   PRO  90          HD2       PRO  90  -9.072  -0.046   6.908
  732    H    LYS  91           HN       LYS  91 -10.755  -4.937   5.925
  733    HA   LYS  91           HA       LYS  91 -13.244  -4.945   7.367
  734   1HB   LYS  91          HB2       LYS  91 -13.393  -5.179   4.995
  735   2HB   LYS  91          HB3       LYS  91 -12.220  -6.484   4.970
  736   1HG   LYS  91          HG3       LYS  91 -13.802  -7.986   6.004
  737   2HG   LYS  91          HG2       LYS  91 -14.923  -6.662   6.324
  738   1HD   LYS  91          HD2       LYS  91 -15.297  -6.362   3.958
  739   2HD   LYS  91          HD3       LYS  91 -14.082  -7.583   3.579
  740   1HE   LYS  91          HE3       LYS  91 -16.340  -8.485   3.379
  741   2HE   LYS  91          HE2       LYS  91 -15.430  -9.282   4.658
  742   1HZ   LYS  91          HZ1       LYS  91 -16.728  -7.249   5.942
  743   2HZ   LYS  91          HZ2       LYS  91 -17.200  -8.880   5.907
  744   3HZ   LYS  91          HZ3       LYS  91 -17.862  -7.779   4.802
  745    H    ASP  92           HN       ASP  92 -10.799  -7.460   6.572
  746    HA   ASP  92           HA       ASP  92 -11.855  -9.409   8.303
  747   1HB   ASP  92          HB3       ASP  92 -10.169  -9.751   6.413
  748   2HB   ASP  92          HB2       ASP  92  -8.939  -9.189   7.539
  749    H    PHE  93           HN       PHE  93  -9.477  -6.879   8.771
  750    HA   PHE  93           HA       PHE  93  -8.725  -5.841  10.619
  751   1HB   PHE  93          HB2       PHE  93 -10.753  -7.613  11.887
  752   2HB   PHE  93          HB3       PHE  93  -9.537  -6.860  12.912
  753    HD1  PHE  93           HD1      PHE  93 -12.604  -6.500  12.810
  754    HD2  PHE  93           HD2      PHE  93  -9.356  -4.276  11.227
  755    HE1  PHE  93           HE1      PHE  93 -13.939  -4.426  12.937
  756    HE2  PHE  93           HE2      PHE  93 -10.659  -2.221  11.391
  757    HZ   PHE  93           HZ       PHE  93 -12.983  -2.287  12.240
  758    H    GLU  94           HN       GLU  94  -8.801  -8.589  12.698
  759    HA   GLU  94           HA       GLU  94  -7.191  -9.904  13.563
  760   1HB   GLU  94          HB3       GLU  94  -5.910  -9.564  10.837
  761   2HB   GLU  94          HB2       GLU  94  -5.277 -10.622  12.087
  762   1HG   GLU  94          HG3       GLU  94  -7.984 -10.830  10.807
  763   2HG   GLU  94          HG2       GLU  94  -6.579 -11.817  10.417
  764    H    THR  95           HN       THR  95  -7.185  -7.457  14.435
  765    HA   THR  95           HA       THR  95  -6.020  -5.908  15.576
  766    HB   THR  95           HB       THR  95  -3.451  -7.420  15.004
  767    HG1  THR  95           HG1      THR  95  -4.291  -9.054  15.991
  768   1HG2  THR  95          HG21      THR  95  -2.608  -6.510  16.929
  769   2HG2  THR  95          HG22      THR  95  -4.209  -6.221  17.623
  770   3HG2  THR  95          HG23      THR  95  -3.609  -5.193  16.318
  771    H    SER  96           HN       SER  96  -6.611  -5.323  12.967
  772    HA   SER  96           HA       SER  96  -4.232  -3.885  12.001
  773   1HB   SER  96          HB3       SER  96  -6.540  -5.101  10.499
  774   2HB   SER  96          HB2       SER  96  -5.477  -3.909   9.758
  775    HG   SER  96           HG       SER  96  -3.948  -5.367   9.596
  776    H    GLU  97           HN       GLU  97  -7.082  -3.385  13.595
  777    HA   GLU  97           HA       GLU  97  -7.969  -1.005  12.254
  778   1HB   GLU  97          HB3       GLU  97  -9.527  -2.230  13.704
  779   2HB   GLU  97          HB2       GLU  97  -8.442  -1.990  15.065
  780   1HG   GLU  97          HG2       GLU  97 -10.361  -0.472  15.159
  781   2HG   GLU  97          HG3       GLU  97  -8.818   0.376  15.059
  782    H    TYR  98           HN       TYR  98  -6.114  -1.732  15.139
  783    HA   TYR  98           HA       TYR  98  -5.472   0.947  15.798
  784   1HB   TYR  98          HB3       TYR  98  -5.487  -0.869  17.443
  785   2HB   TYR  98          HB2       TYR  98  -4.180  -1.687  16.581
  786    HD1  TYR  98           HD1      TYR  98  -1.891  -0.854  16.648
  787    HD2  TYR  98           HD2      TYR  98  -5.017   1.044  18.853
  788    HE1  TYR  98           HE1      TYR  98  -0.204   0.324  18.001
  789    HE2  TYR  98           HE2      TYR  98  -3.319   2.247  20.205
  790    HH   TYR  98           HH       TYR  98   0.136   1.512  19.914
  791    H    VAL  99           HN       VAL  99  -4.051  -1.407  13.633
  792    HA   VAL  99           HA       VAL  99  -1.563   0.018  13.357
  793    HB   VAL  99           HB       VAL  99  -2.688  -2.243  11.689
  794   1HG1  VAL  99          HG21      VAL  99  -0.459  -2.595  10.900
  795   2HG1  VAL  99          HG22      VAL  99  -0.926  -0.920  10.573
  796   3HG1  VAL  99          HG23      VAL  99   0.149  -1.293  11.926
  797   1HG2  VAL  99          HG11      VAL  99  -0.870  -2.249  14.089
  798   2HG2  VAL  99          HG12      VAL  99  -2.479  -2.951  13.950
  799   3HG2  VAL  99          HG13      VAL  99  -1.145  -3.641  13.041
  800    H    ARG 100           HN       ARG 100  -4.436  -0.587  11.345
  801    HA   ARG 100           HA       ARG 100  -3.662   1.001   9.163
  802   1HB   ARG 100          HB3       ARG 100  -5.510  -0.743   9.219
  803   2HB   ARG 100          HB2       ARG 100  -6.496   0.436  10.067
  804   1HG   ARG 100          HG2       ARG 100  -5.360   1.250   7.455
  805   2HG   ARG 100          HG3       ARG 100  -6.688   0.089   7.458
  806   1HD   ARG 100          HD3       ARG 100  -6.648   2.893   8.455
  807   2HD   ARG 100          HD2       ARG 100  -7.774   2.150   7.323
  808    HE   ARG 100           HE       ARG 100  -7.820   1.068  10.019
  809   1HH1  ARG 100          HH11      ARG 100  -9.493   3.398   7.802
  810   2HH1  ARG 100          HH12      ARG 100 -10.883   2.501   8.367
  811   1HH2  ARG 100          HH22      ARG 100  -9.737   1.431  11.258
  812   2HH2  ARG 100          HH21      ARG 100 -10.696   2.828  10.862
  813    H    LYS 101           HN       LYS 101  -4.741   1.899  12.305
  814    HA   LYS 101           HA       LYS 101  -5.845   4.418  11.610
  815   1HB   LYS 101          HB3       LYS 101  -6.003   3.141  13.875
  816   2HB   LYS 101          HB2       LYS 101  -4.454   3.892  14.229
  817   1HG   LYS 101          HG3       LYS 101  -6.162   5.209  15.207
  818   2HG   LYS 101          HG2       LYS 101  -5.459   6.102  13.863
  819   1HD   LYS 101          HD3       LYS 101  -7.909   6.284  13.927
  820   2HD   LYS 101          HD2       LYS 101  -7.342   5.496  12.452
  821   1HE   LYS 101          HE2       LYS 101  -7.888   3.336  13.341
  822   2HE   LYS 101          HE3       LYS 101  -8.250   4.009  14.922
  823   1HZ   LYS 101          HZ1       LYS 101 -10.183   3.418  13.411
  824   2HZ   LYS 101          HZ2       LYS 101  -9.744   4.788  12.486
  825   3HZ   LYS 101          HZ3       LYS 101 -10.197   4.963  14.117
  826    H    ALA 102           HN       ALA 102  -2.718   3.093  11.846
  827    HA   ALA 102           HA       ALA 102  -1.443   5.740  11.718
  828   1HB   ALA 102          HB1       ALA 102  -0.612   3.088  12.656
  829   2HB   ALA 102          HB2       ALA 102   0.598   3.956  11.701
  830   3HB   ALA 102          HB3       ALA 102  -0.075   4.702  13.147
  831    H    TRP 103           HN       TRP 103  -3.005   4.093   9.615
  832    HA   TRP 103           HA       TRP 103  -0.969   3.977   7.492
  833   1HB   TRP 103          HB3       TRP 103  -3.608   2.606   7.845
  834   2HB   TRP 103          HB2       TRP 103  -3.011   2.911   6.217
  835    HD1  TRP 103           HD1      TRP 103  -1.755   1.124   9.433
  836    HE1  TRP 103           HE1      TRP 103  -0.320  -0.875   8.683
  837    HE3  TRP 103           HE3      TRP 103  -1.866   1.852   4.377
  838    HZ2  TRP 103           HZ2      TRP 103   0.668  -1.971   6.305
  839    HZ3  TRP 103           HZ3      TRP 103  -0.637   0.278   2.947
  840    HH2  TRP 103           HH2      TRP 103   0.608  -1.596   3.882
  841    H    LEU 104           HN       LEU 104  -4.164   5.250   8.301
  842    HA   LEU 104           HA       LEU 104  -4.440   6.756   5.928
  843   1HB   LEU 104          HB3       LEU 104  -6.100   8.060   7.457
  844   2HB   LEU 104          HB2       LEU 104  -6.473   6.413   7.003
  845    HG   LEU 104           HG       LEU 104  -5.066   6.170   9.404
  846   1HD1  LEU 104          HD21      LEU 104  -5.267   8.167  10.392
  847   2HD1  LEU 104          HD22      LEU 104  -6.536   8.701   9.287
  848   3HD1  LEU 104          HD23      LEU 104  -6.939   7.663  10.656
  849   1HD2  LEU 104          HD11      LEU 104  -7.898   5.898   8.464
  850   2HD2  LEU 104          HD12      LEU 104  -6.755   4.662   9.047
  851   3HD2  LEU 104          HD13      LEU 104  -7.532   5.759  10.201
  852    H    ARG 105           HN       ARG 105  -3.037   7.334   9.026
  853    HA   ARG 105           HA       ARG 105  -2.593  10.119   8.771
  854   1HB   ARG 105          HB2       ARG 105  -1.269   7.978  10.391
  855   2HB   ARG 105          HB3       ARG 105  -0.655   9.627  10.414
  856   1HG   ARG 105          HG2       ARG 105  -2.873  10.401  11.166
  857   2HG   ARG 105          HG3       ARG 105  -3.445   8.729  11.120
  858   1HD   ARG 105          HD3       ARG 105  -2.151   8.105  12.945
  859   2HD   ARG 105          HD2       ARG 105  -1.059   9.479  12.760
  860    HE   ARG 105           HE       ARG 105  -3.446  10.666  13.310
  861   1HH1  ARG 105          HH11      ARG 105  -1.696   8.138  15.214
  862   2HH1  ARG 105          HH12      ARG 105  -3.261   8.042  15.980
  863   1HH2  ARG 105          HH21      ARG 105  -3.256  11.536  15.878
  864   2HH2  ARG 105          HH22      ARG 105  -4.510  10.332  16.032
  865    H    ASP 106           HN       ASP 106  -0.641   7.296   7.888
  866    HA   ASP 106           HA       ASP 106   1.461   8.880   6.771
  867   1HB   ASP 106          HB2       ASP 106   0.861   5.928   6.838
  868   2HB   ASP 106          HB3       ASP 106   2.109   6.578   5.770
  869    H    ILE 107           HN       ILE 107  -1.606   8.175   5.750
  870    HA   ILE 107           HA       ILE 107  -0.897   8.192   2.938
  871    HB   ILE 107           HB       ILE 107  -3.094   7.096   4.466
  872   1HG1  ILE 107          HG12      ILE 107  -3.400   5.813   2.344
  873   2HG1  ILE 107          HG13      ILE 107  -2.147   6.814   1.599
  874   1HG2  ILE 107          HG21      ILE 107  -4.728   7.595   2.455
  875   2HG2  ILE 107          HG22      ILE 107  -4.651   8.656   3.858
  876   3HG2  ILE 107          HG23      ILE 107  -3.803   9.095   2.376
  877   1HD1  ILE 107          HD11      ILE 107  -0.481   5.921   2.922
  878   2HD1  ILE 107          HD12      ILE 107  -1.621   5.299   4.118
  879   3HD1  ILE 107          HD13      ILE 107  -1.494   4.528   2.535
  880    H    ALA 108           HN       ALA 108  -2.549  10.108   5.360
  881    HA   ALA 108           HA       ALA 108  -3.534  12.187   3.707
  882   1HB   ALA 108          HB1       ALA 108  -4.502  12.290   5.795
  883   2HB   ALA 108          HB2       ALA 108  -2.995  11.869   6.612
  884   3HB   ALA 108          HB3       ALA 108  -3.230  13.505   5.990
  885    H    GLU 109           HN       GLU 109  -0.490  11.256   4.532
  886    HA   GLU 109           HA       GLU 109   0.796  13.328   3.102
  887   1HB   GLU 109          HB3       GLU 109   2.312  13.924   5.051
  888   2HB   GLU 109          HB2       GLU 109   0.699  14.619   5.072
  889   1HG   GLU 109          HG2       GLU 109   0.024  12.825   6.665
  890   2HG   GLU 109          HG3       GLU 109   1.705  12.291   6.703
  891    H    GLU 110           HN       GLU 110   1.216  11.362   1.974
  892    HA   GLU 110           HA       GLU 110   2.295   9.045   2.966
  893   1HB   GLU 110          HB2       GLU 110   3.096   8.609   0.699
  894   2HB   GLU 110          HB3       GLU 110   1.465   9.228   0.703
  895   1HG   GLU 110          HG2       GLU 110   3.951  10.769  -0.019
  896   2HG   GLU 110          HG3       GLU 110   2.780  10.105  -1.147
  897    H    GLN 111           HN       GLN 111   3.970   8.651   4.070
  898    HA   GLN 111           HA       GLN 111   5.820   9.120   5.331
  899   1HB   GLN 111          HB2       GLN 111   6.490   7.611   3.357
  900   2HB   GLN 111          HB3       GLN 111   7.234   9.054   2.674
  901   1HG   GLN 111          HG2       GLN 111   8.581   9.292   4.730
  902   2HG   GLN 111          HG3       GLN 111   7.850   7.821   5.361
  903   1HE2  GLN 111          HE21      GLN 111  10.605   8.893   4.209
  904   2HE2  GLN 111          HE22      GLN 111  11.210   7.445   3.497
  905    H    GLU 112           HN       GLU 112   5.061  11.277   5.761
  906    HA   GLU 112           HA       GLU 112   5.519  13.634   4.577
  907   1HB   GLU 112          HB3       GLU 112   5.807  14.523   6.959
  908   2HB   GLU 112          HB2       GLU 112   4.344  13.618   6.578
  909   1HG   GLU 112          HG3       GLU 112   5.327  11.606   7.551
  910   2HG   GLU 112          HG2       GLU 112   6.780  12.519   7.942
  911    H    LYS 113           HN       LYS 113   8.008  11.683   6.127
  912    HA   LYS 113           HA       LYS 113   9.939  13.793   6.190
  913   1HB   LYS 113          HB3       LYS 113  11.494  11.592   6.487
  914   2HB   LYS 113          HB2       LYS 113  10.622  12.370   7.805
  915   1HG   LYS 113          HG3       LYS 113   9.300  10.216   6.215
  916   2HG   LYS 113          HG2       LYS 113  10.472   9.804   7.470
  917   1HD   LYS 113          HD2       LYS 113   8.223  11.681   8.018
  918   2HD   LYS 113          HD3       LYS 113   7.994   9.937   8.124
  919   1HE   LYS 113          HE2       LYS 113   9.884   9.881   9.784
  920   2HE   LYS 113          HE3       LYS 113   9.920  11.633   9.677
  921   1HZ   LYS 113          HZ1       LYS 113   7.408  10.348  10.379
  922   2HZ   LYS 113          HZ2       LYS 113   8.000  11.886  10.783
  923   3HZ   LYS 113          HZ3       LYS 113   8.614  10.506  11.561
  924    H    TYR 114           HN       TYR 114   8.922  11.547   3.794
  925    HA   TYR 114           HA       TYR 114  11.334  11.244   2.353
  926   1HB   TYR 114          HB3       TYR 114   8.978  10.019   2.198
  927   2HB   TYR 114          HB2       TYR 114   8.730  11.196   0.906
  928    HD1  TYR 114           HD1      TYR 114  10.964  11.404  -0.672
  929    HD2  TYR 114           HD2      TYR 114   9.721   7.977   1.519
  930    HE1  TYR 114           HE1      TYR 114  12.223   9.979  -2.216
  931    HE2  TYR 114           HE2      TYR 114  11.045   6.540   0.021
  932    HH   TYR 114           HH       TYR 114  12.374   7.712  -2.930
  933    H    ALA 115           HN       ALA 115   8.497  13.034   1.143
  934    HA   ALA 115           HA       ALA 115  10.352  14.868  -0.224
  935   1HB   ALA 115          HB1       ALA 115   8.326  13.394  -1.279
  936   2HB   ALA 115          HB2       ALA 115   7.535  14.957  -1.029
  937   3HB   ALA 115          HB3       ALA 115   9.003  14.852  -2.015
  938    H    ALA 116           HN       ALA 116   9.802  17.102  -0.400
  939    HA   ALA 116           HA       ALA 116   8.691  18.146   2.071
  940   1HB   ALA 116          HB1       ALA 116   9.659  20.211   1.501
  941   2HB   ALA 116          HB2       ALA 116  10.835  19.001   0.969
  942   3HB   ALA 116          HB3       ALA 116   9.766  19.777  -0.206
  943    H    GLU 117           HN       GLU 117   8.153  18.358  -1.437
  944    HA   GLU 117           HA       GLU 117   5.331  18.948  -0.931
  945   1HB   GLU 117          HB3       GLU 117   7.064  20.569  -2.809
  946   2HB   GLU 117          HB2       GLU 117   5.322  20.724  -2.643
  947   1HG   GLU 117          HG2       GLU 117   5.577  21.488  -0.362
  948   2HG   GLU 117          HG3       GLU 117   7.321  21.214  -0.450
  949    H    ARG 118           HN       ARG 118   6.797  19.335  -4.058
  950    HA   ARG 118           HA       ARG 118   6.265  16.614  -4.839
  951   1HB   ARG 118          HB3       ARG 118   4.694  17.114  -6.588
  952   2HB   ARG 118          HB2       ARG 118   4.057  17.689  -5.067
  953   1HG   ARG 118          HG2       ARG 118   5.502  19.522  -6.957
  954   2HG   ARG 118          HG3       ARG 118   3.784  19.172  -7.135
  955   1HD   ARG 118          HD2       ARG 118   3.395  20.030  -4.873
  956   2HD   ARG 118          HD3       ARG 118   5.122  20.362  -4.699
  957    HE   ARG 118           HE       ARG 118   4.309  21.684  -6.985
  958   1HH1  ARG 118          HH11      ARG 118   2.651  21.897  -3.837
  959   2HH1  ARG 118          HH12      ARG 118   3.693  23.224  -3.395
  960   1HH2  ARG 118          HH21      ARG 118   2.927  23.876  -6.801
  961   2HH2  ARG 118          HH22      ARG 118   4.264  24.559  -5.929
  962    H    ASP 119           HN       ASP 119   6.343  16.864  -7.550
  963    HA   ASP 119           HA       ASP 119   8.641  18.527  -8.192
  964   1HB   ASP 119          HB3       ASP 119   9.526  16.266  -7.507
  965   2HB   ASP 119          HB2       ASP 119   8.614  15.581  -8.851
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1  14.804 -12.311  -4.331
    2   2H    MET   1          HT2       MET   1  15.806 -13.639  -4.778
    3   3H    MET   1          HT3       MET   1  16.229 -12.042  -5.253
    4    HA   MET   1           HA       MET   1  16.374 -11.478  -2.869
    5   1HB   MET   1          HB3       MET   1  16.084 -14.477  -2.725
    6   2HB   MET   1          HB2       MET   1  16.835 -13.544  -1.440
    7   1HG   MET   1          HG3       MET   1  14.781 -12.295  -1.120
    8   2HG   MET   1          HG2       MET   1  14.028 -13.173  -2.449
    9   1HE   MET   1          HE1       MET   1  14.077 -16.837  -1.034
   10   2HE   MET   1          HE2       MET   1  13.058 -15.864  -2.097
   11   3HE   MET   1          HE3       MET   1  14.805 -15.903  -2.339
   12    H    GLY   2           HN       GLY   2  18.437 -12.039  -1.653
   13   1HA   GLY   2          HA1       GLY   2  20.570 -13.478  -2.477
   14   2HA   GLY   2          HA2       GLY   2  20.594 -12.100  -3.576
   15    H    ASP   3           HN       ASP   3  20.860 -10.024  -2.745
   16    HA   ASP   3           HA       ASP   3  22.607  -9.819  -0.491
   17   1HB   ASP   3          HB2       ASP   3  22.783  -8.284  -2.390
   18   2HB   ASP   3          HB3       ASP   3  21.143  -7.707  -2.102
   19    H    THR   4           HN       THR   4  19.250  -9.057  -1.187
   20    HA   THR   4           HA       THR   4  18.738  -8.572   1.660
   21    HB   THR   4           HB       THR   4  16.431  -7.837   0.453
   22    HG1  THR   4           HG1      THR   4  18.218  -6.759  -1.372
   23   1HG2  THR   4          HG21      THR   4  17.767  -5.515   0.146
   24   2HG2  THR   4          HG22      THR   4  18.838  -6.367   1.258
   25   3HG2  THR   4          HG23      THR   4  17.145  -6.108   1.685
   26    H    GLY   5           HN       GLY   5  16.764  -9.419   2.543
   27   1HA   GLY   5          HA1       GLY   5  16.203 -12.100   1.496
   28   2HA   GLY   5          HA2       GLY   5  15.902 -11.552   3.141
   29    H    LYS   6           HN       LYS   6  13.758 -11.684   3.457
   30    HA   LYS   6           HA       LYS   6  12.025 -10.637   1.328
   31   1HB   LYS   6          HB2       LYS   6  10.203 -11.975   2.559
   32   2HB   LYS   6          HB3       LYS   6  11.375 -12.864   1.601
   33   1HG   LYS   6          HG3       LYS   6  11.253 -14.147   3.505
   34   2HG   LYS   6          HG2       LYS   6  12.641 -13.118   3.853
   35   1HD   LYS   6          HD2       LYS   6  11.309 -11.674   5.226
   36   2HD   LYS   6          HD3       LYS   6   9.838 -12.547   4.792
   37   1HE   LYS   6          HE2       LYS   6  10.740 -13.125   7.024
   38   2HE   LYS   6          HE3       LYS   6  10.583 -14.504   5.939
   39   1HZ   LYS   6          HZ1       LYS   6  12.768 -14.857   5.975
   40   2HZ   LYS   6          HZ2       LYS   6  12.782 -13.867   7.349
   41   3HZ   LYS   6          HZ3       LYS   6  13.156 -13.208   5.833
   42    H    LEU   7           HN       LEU   7  13.311  -8.891   3.107
   43    HA   LEU   7           HA       LEU   7  11.029  -7.927   4.708
   44   1HB   LEU   7          HB3       LEU   7  13.974  -7.458   5.182
   45   2HB   LEU   7          HB2       LEU   7  12.675  -6.773   6.138
   46    HG   LEU   7           HG       LEU   7  13.420  -9.696   5.944
   47   1HD1  LEU   7          HD21      LEU   7  13.433  -8.040   8.429
   48   2HD1  LEU   7          HD22      LEU   7  14.327  -9.514   8.054
   49   3HD1  LEU   7          HD23      LEU   7  14.798  -7.988   7.313
   50   1HD2  LEU   7          HD11      LEU   7  11.626 -10.281   7.255
   51   2HD2  LEU   7          HD12      LEU   7  11.400  -8.646   7.872
   52   3HD2  LEU   7          HD13      LEU   7  10.908  -9.041   6.226
   53    H    GLY   8           HN       GLY   8  12.374  -5.375   5.196
   54   1HA   GLY   8          HA2       GLY   8  13.094  -3.469   3.935
   55   2HA   GLY   8          HA1       GLY   8  12.463  -4.234   2.484
   56    H    ARG   9           HN       ARG   9  10.590  -4.310   5.377
   57    HA   ARG   9           HA       ARG   9   8.449  -2.821   4.134
   58   1HB   ARG   9          HB3       ARG   9   8.735  -4.170   6.824
   59   2HB   ARG   9          HB2       ARG   9   7.314  -3.234   6.392
   60   1HG   ARG   9          HG3       ARG   9   6.702  -5.423   5.963
   61   2HG   ARG   9          HG2       ARG   9   7.131  -4.788   4.375
   62   1HD   ARG   9          HD3       ARG   9   9.339  -5.829   4.557
   63   2HD   ARG   9          HD2       ARG   9   8.911  -6.455   6.149
   64    HE   ARG   9           HE       ARG   9   8.137  -7.510   3.594
   65   1HH1  ARG   9          HH12      ARG   9   7.298  -7.553   7.094
   66   2HH1  ARG   9          HH11      ARG   9   7.134  -9.278   6.901
   67   1HH2  ARG   9          HH21      ARG   9   7.114  -9.703   3.801
   68   2HH2  ARG   9          HH22      ARG   9   5.606  -9.446   4.643
   69    H    ILE  10           HN       ILE  10  10.311  -1.040   4.137
   70    HA   ILE  10           HA       ILE  10  10.997   0.449   6.322
   71    HB   ILE  10           HB       ILE  10  12.069   0.906   4.288
   72   1HG1  ILE  10          HG13      ILE  10  10.369   3.328   4.912
   73   2HG1  ILE  10          HG12      ILE  10  11.798   2.835   5.809
   74   1HG2  ILE  10          HG21      ILE  10   9.342   1.233   3.199
   75   2HG2  ILE  10          HG22      ILE  10  10.645   2.181   2.478
   76   3HG2  ILE  10          HG23      ILE  10  10.761   0.425   2.526
   77   1HD1  ILE  10          HD11      ILE  10  11.567   4.233   3.254
   78   2HD1  ILE  10          HD12      ILE  10  12.828   4.296   4.487
   79   3HD1  ILE  10          HD13      ILE  10  12.810   2.981   3.316
   80    H    ILE  11           HN       ILE  11   8.088   1.171   4.282
   81    HA   ILE  11           HA       ILE  11   7.286   3.113   6.262
   82    HB   ILE  11           HB       ILE  11   5.734   2.176   3.838
   83   1HG1  ILE  11          HG13      ILE  11   7.541   4.571   4.266
   84   2HG1  ILE  11          HG12      ILE  11   7.785   3.251   3.127
   85   1HG2  ILE  11          HG21      ILE  11   5.030   4.793   4.652
   86   2HG2  ILE  11          HG22      ILE  11   4.038   3.334   4.709
   87   3HG2  ILE  11          HG23      ILE  11   5.028   3.782   6.098
   88   1HD1  ILE  11          HD11      ILE  11   5.800   5.486   2.999
   89   2HD1  ILE  11          HD12      ILE  11   7.020   5.007   1.817
   90   3HD1  ILE  11          HD13      ILE  11   5.588   4.006   2.062
   91    H    ARG  12           HN       ARG  12   5.089   0.748   4.808
   92    HA   ARG  12           HA       ARG  12   4.551  -0.463   7.406
   93   1HB   ARG  12          HB2       ARG  12   2.792   1.483   6.025
   94   2HB   ARG  12          HB3       ARG  12   1.998   0.077   6.717
   95   1HG   ARG  12          HG3       ARG  12   2.784   0.624   8.897
   96   2HG   ARG  12          HG2       ARG  12   3.829   1.896   8.261
   97   1HD   ARG  12          HD3       ARG  12   1.825   3.105   7.471
   98   2HD   ARG  12          HD2       ARG  12   0.815   1.848   8.181
   99    HE   ARG  12           HE       ARG  12   0.972   2.988  10.127
  100   1HH1  ARG  12          HH11      ARG  12   3.917   4.656   8.507
  101   2HH1  ARG  12          HH12      ARG  12   4.698   3.482   9.542
  102   1HH2  ARG  12          HH22      ARG  12   2.952   4.081  11.997
  103   2HH2  ARG  12          HH21      ARG  12   2.411   5.504  11.140
  104    H    HIS  13           HN       HIS  13   2.834  -2.181   7.214
  105    HA   HIS  13           HA       HIS  13   2.348  -3.244   4.560
  106   1HB   HIS  13          HB2       HIS  13   3.422  -5.367   4.886
  107   2HB   HIS  13          HB3       HIS  13   4.627  -4.128   5.212
  108    HD1  HIS  13           HD1      HIS  13   4.904  -3.606   7.945
  109    HD2  HIS  13           HD2      HIS  13   3.275  -7.259   6.790
  110    HE1  HIS  13           HE1      HIS  13   5.033  -5.084   9.974
  111    HE2  HIS  13           HE2      HIS  13   3.825  -7.197   9.314
  112    H    ASP  14           HN       ASP  14   0.395  -4.276   4.539
  113    HA   ASP  14           HA       ASP  14  -0.715  -5.258   7.081
  114   1HB   ASP  14          HB2       ASP  14  -1.369  -2.789   6.343
  115   2HB   ASP  14          HB3       ASP  14  -2.500  -3.650   5.307
  116    H    ALA  15           HN       ALA  15  -3.312  -5.722   6.117
  117    HA   ALA  15           HA       ALA  15  -3.090  -7.249   3.660
  118   1HB   ALA  15          HB1       ALA  15  -4.328  -8.889   5.728
  119   2HB   ALA  15          HB2       ALA  15  -3.177  -9.326   4.467
  120   3HB   ALA  15          HB3       ALA  15  -2.602  -8.623   5.979
  121    H    PHE  16           HN       PHE  16  -4.751  -6.447   2.586
  122    HA   PHE  16           HA       PHE  16  -7.305  -6.116   4.015
  123   1HB   PHE  16          HB2       PHE  16  -6.315  -4.621   1.579
  124   2HB   PHE  16          HB3       PHE  16  -7.879  -4.399   2.357
  125    HD1  PHE  16           HD1      PHE  16  -7.808  -3.764   4.871
  126    HD2  PHE  16           HD2      PHE  16  -4.556  -3.271   2.179
  127    HE1  PHE  16           HE1      PHE  16  -6.818  -2.102   6.385
  128    HE2  PHE  16           HE2      PHE  16  -3.557  -1.596   3.678
  129    HZ   PHE  16           HZ       PHE  16  -4.687  -1.010   5.790
  130    H    GLN  17           HN       GLN  17  -9.074  -7.031   3.184
  131    HA   GLN  17           HA       GLN  17  -8.769  -8.532   0.672
  132   1HB   GLN  17          HB3       GLN  17  -9.007  -9.808   2.954
  133   2HB   GLN  17          HB2       GLN  17 -10.696  -9.330   2.842
  134   1HG   GLN  17          HG3       GLN  17  -9.247 -10.895   0.725
  135   2HG   GLN  17          HG2       GLN  17 -10.189 -11.624   2.022
  136   1HE2  GLN  17          HE21      GLN  17 -12.302 -11.869   1.758
  137   2HE2  GLN  17          HE22      GLN  17 -13.176 -11.367   0.353
  138    H    VAL  18           HN       VAL  18  -9.449  -6.572  -0.326
  139    HA   VAL  18           HA       VAL  18 -12.335  -6.266  -0.359
  140    HB   VAL  18           HB       VAL  18 -11.739  -3.697  -0.510
  141   1HG1  VAL  18          HG21      VAL  18 -12.367  -3.479   1.815
  142   2HG1  VAL  18          HG22      VAL  18 -13.320  -4.743   1.040
  143   3HG1  VAL  18          HG23      VAL  18 -11.979  -5.176   2.101
  144   1HG2  VAL  18          HG11      VAL  18 -10.043  -3.303   1.393
  145   2HG2  VAL  18          HG12      VAL  18  -9.477  -4.929   1.004
  146   3HG2  VAL  18          HG13      VAL  18  -9.443  -3.665  -0.226
  147    H    TRP  19           HN       TRP  19 -13.101  -5.161  -2.093
  148    HA   TRP  19           HA       TRP  19 -12.614  -5.947  -4.528
  149   1HB   TRP  19          HB2       TRP  19 -13.351  -3.097  -3.915
  150   2HB   TRP  19          HB3       TRP  19 -13.838  -4.054  -5.315
  151    HD1  TRP  19           HD1      TRP  19 -15.647  -6.054  -4.852
  152    HE1  TRP  19           HE1      TRP  19 -17.420  -6.339  -3.003
  153    HE3  TRP  19           HE3      TRP  19 -13.791  -2.738  -1.438
  154    HZ2  TRP  19           HZ2      TRP  19 -17.936  -5.303  -0.427
  155    HZ3  TRP  19           HZ3      TRP  19 -14.975  -2.456   0.705
  156    HH2  TRP  19           HH2      TRP  19 -17.002  -3.721   1.197
  157    H    GLU  20           HN       GLU  20 -11.144  -5.922  -6.024
  158    HA   GLU  20           HA       GLU  20  -9.241  -3.693  -6.249
  159   1HB   GLU  20          HB3       GLU  20  -8.180  -5.384  -4.846
  160   2HB   GLU  20          HB2       GLU  20  -8.520  -6.625  -6.038
  161   1HG   GLU  20          HG2       GLU  20  -6.181  -5.960  -6.071
  162   2HG   GLU  20          HG3       GLU  20  -6.976  -5.592  -7.600
  163    H    GLY  21           HN       GLY  21  -8.524  -3.259  -8.270
  164   1HA   GLY  21          HA2       GLY  21  -8.690  -3.089 -10.559
  165   2HA   GLY  21          HA1       GLY  21  -8.246  -4.782 -10.493
  166    H    ASP  22           HN       ASP  22  -9.388  -5.691 -12.038
  167    HA   ASP  22           HA       ASP  22 -12.242  -5.070 -12.275
  168   1HB   ASP  22          HB2       ASP  22 -10.158  -5.950 -14.160
  169   2HB   ASP  22          HB3       ASP  22 -11.726  -6.725 -14.372
  170    H    GLU  23           HN       GLU  23 -10.752  -6.900 -10.326
  171    HA   GLU  23           HA       GLU  23 -12.476  -9.245 -10.732
  172   1HB   GLU  23          HB3       GLU  23  -9.674  -9.050  -9.597
  173   2HB   GLU  23          HB2       GLU  23 -10.711 -10.427  -9.262
  174   1HG   GLU  23          HG2       GLU  23  -9.411 -11.157 -11.020
  175   2HG   GLU  23          HG3       GLU  23 -10.890 -10.632 -11.824
  176    HA   PRO  24           HA       PRO  24 -14.878  -6.818  -7.724
  177   1HB   PRO  24          HB2       PRO  24 -15.415  -9.723  -7.215
  178   2HB   PRO  24          HB3       PRO  24 -16.547  -8.367  -7.310
  179   1HG   PRO  24          HG2       PRO  24 -15.785 -10.064  -9.441
  180   2HG   PRO  24          HG3       PRO  24 -16.682  -8.543  -9.575
  181   1HD   PRO  24          HD2       PRO  24 -14.140  -9.002 -10.615
  182   2HD   PRO  24          HD3       PRO  24 -14.836  -7.398 -10.290
  183    HA   PRO  25           HA       PRO  25 -12.955  -7.508  -3.760
  184   1HB   PRO  25          HB3       PRO  25 -13.731  -9.645  -2.185
  185   2HB   PRO  25          HB2       PRO  25 -14.566  -8.108  -2.305
  186   1HG   PRO  25          HG2       PRO  25 -15.502 -10.653  -3.174
  187   2HG   PRO  25          HG3       PRO  25 -16.289  -9.085  -3.411
  188   1HD   PRO  25          HD3       PRO  25 -14.626 -10.668  -5.286
  189   2HD   PRO  25          HD2       PRO  25 -15.913  -9.491  -5.630
  190    H    LYS  26           HN       LYS  26 -10.842  -7.883  -3.520
  191    HA   LYS  26           HA       LYS  26  -9.842 -10.627  -3.676
  192   1HB   LYS  26          HB2       LYS  26  -9.666  -9.752  -5.926
  193   2HB   LYS  26          HB3       LYS  26  -8.869  -8.301  -5.343
  194   1HG   LYS  26          HG3       LYS  26  -6.892  -9.524  -4.784
  195   2HG   LYS  26          HG2       LYS  26  -7.700 -11.063  -5.089
  196   1HD   LYS  26          HD3       LYS  26  -6.143 -10.193  -6.911
  197   2HD   LYS  26          HD2       LYS  26  -7.756 -10.705  -7.412
  198   1HE   LYS  26          HE3       LYS  26  -8.511  -8.411  -7.467
  199   2HE   LYS  26          HE2       LYS  26  -6.968  -7.853  -6.826
  200   1HZ   LYS  26          HZ1       LYS  26  -7.624  -8.009  -9.461
  201   2HZ   LYS  26          HZ2       LYS  26  -6.673  -9.386  -9.237
  202   3HZ   LYS  26          HZ3       LYS  26  -6.053  -7.859  -8.843
  203    H    LEU  27           HN       LEU  27  -8.271 -11.061  -2.277
  204    HA   LEU  27           HA       LEU  27  -7.569  -9.080  -0.338
  205   1HB   LEU  27          HB3       LEU  27  -7.994 -11.358   0.369
  206   2HB   LEU  27          HB2       LEU  27  -6.720 -11.953  -0.675
  207    HG   LEU  27           HG       LEU  27  -5.900  -9.993   1.393
  208   1HD1  LEU  27          HD11      LEU  27  -5.938 -11.497   3.202
  209   2HD1  LEU  27          HD12      LEU  27  -7.555 -11.590   2.504
  210   3HD1  LEU  27          HD13      LEU  27  -6.374 -12.860   2.172
  211   1HD2  LEU  27          HD21      LEU  27  -4.486 -11.241  -0.351
  212   2HD2  LEU  27          HD22      LEU  27  -3.900 -11.175   1.311
  213   3HD2  LEU  27          HD23      LEU  27  -4.680 -12.639   0.708
  214    H    ARG  28           HN       ARG  28  -5.623  -8.165   0.050
  215    HA   ARG  28           HA       ARG  28  -3.411  -8.692  -1.769
  216   1HB   ARG  28          HB2       ARG  28  -3.182  -6.307  -2.338
  217   2HB   ARG  28          HB3       ARG  28  -4.720  -6.947  -2.909
  218   1HG   ARG  28          HG2       ARG  28  -5.918  -5.856  -1.196
  219   2HG   ARG  28          HG3       ARG  28  -4.448  -5.511  -0.288
  220   1HD   ARG  28          HD2       ARG  28  -4.859  -3.468  -1.213
  221   2HD   ARG  28          HD3       ARG  28  -3.793  -4.170  -2.426
  222    HE   ARG  28           HE       ARG  28  -5.462  -3.851  -3.912
  223   1HH1  ARG  28          HH12      ARG  28  -8.040  -5.611  -2.083
  224   2HH1  ARG  28          HH11      ARG  28  -7.848  -4.349  -0.911
  225   1HH2  ARG  28          HH21      ARG  28  -7.467  -3.128  -4.554
  226   2HH2  ARG  28          HH22      ARG  28  -8.880  -3.542  -3.619
  227    H    TYR  29           HN       TYR  29  -1.542  -8.610  -0.720
  228    HA   TYR  29           HA       TYR  29  -1.505  -7.624   2.022
  229   1HB   TYR  29          HB2       TYR  29   0.458  -9.214   0.355
  230   2HB   TYR  29          HB3       TYR  29   0.905  -8.545   1.918
  231    HD1  TYR  29           HD1      TYR  29   1.348 -11.245   1.960
  232    HD2  TYR  29           HD2      TYR  29  -2.446  -9.335   2.216
  233    HE1  TYR  29           HE1      TYR  29   0.418 -13.233   3.079
  234    HE2  TYR  29           HE2      TYR  29  -3.373 -11.310   3.329
  235    HH   TYR  29           HH       TYR  29  -2.046 -13.337   4.865
  236    H    VAL  30           HN       VAL  30  -1.452  -5.423   1.932
  237    HA   VAL  30           HA       VAL  30   0.115  -4.076  -0.057
  238    HB   VAL  30           HB       VAL  30  -1.371  -2.880   2.281
  239   1HG1  VAL  30          HG21      VAL  30  -1.389  -1.046   0.264
  240   2HG1  VAL  30          HG22      VAL  30  -0.277  -1.032   1.633
  241   3HG1  VAL  30          HG23      VAL  30   0.219  -1.750   0.100
  242   1HG2  VAL  30          HG11      VAL  30  -2.308  -3.118  -0.572
  243   2HG2  VAL  30          HG12      VAL  30  -2.766  -4.249   0.703
  244   3HG2  VAL  30          HG13      VAL  30  -3.221  -2.548   0.825
  245    H    PHE  31           HN       PHE  31   2.119  -3.554   0.059
  246    HA   PHE  31           HA       PHE  31   3.411  -3.073   2.665
  247   1HB   PHE  31          HB3       PHE  31   4.775  -4.121   0.170
  248   2HB   PHE  31          HB2       PHE  31   5.483  -3.951   1.769
  249    HD1  PHE  31           HD1      PHE  31   3.536  -6.034  -0.450
  250    HD2  PHE  31           HD2      PHE  31   4.828  -5.516   3.573
  251    HE1  PHE  31           HE1      PHE  31   2.994  -8.384   0.022
  252    HE2  PHE  31           HE2      PHE  31   4.283  -7.866   4.051
  253    HZ   PHE  31           HZ       PHE  31   3.368  -9.304   2.276
  254    H    LEU  32           HN       LEU  32   3.989  -0.941   2.815
  255    HA   LEU  32           HA       LEU  32   4.216   0.525   0.284
  256   1HB   LEU  32          HB2       LEU  32   4.345   1.879   2.938
  257   2HB   LEU  32          HB3       LEU  32   3.810   2.502   1.389
  258    HG   LEU  32           HG       LEU  32   2.236   0.532   3.043
  259   1HD1  LEU  32          HD11      LEU  32   2.236   2.477   4.342
  260   2HD1  LEU  32          HD12      LEU  32   2.306   3.528   2.927
  261   3HD1  LEU  32          HD13      LEU  32   0.807   2.693   3.329
  262   1HD2  LEU  32          HD21      LEU  32   0.439   0.980   1.556
  263   2HD2  LEU  32          HD22      LEU  32   1.321   2.294   0.780
  264   3HD2  LEU  32          HD23      LEU  32   1.837   0.623   0.544
  265    H    PHE  33           HN       PHE  33   6.121   1.220  -0.425
  266    HA   PHE  33           HA       PHE  33   8.416   1.125   1.424
  267   1HB   PHE  33          HB3       PHE  33   8.394   0.596  -1.570
  268   2HB   PHE  33          HB2       PHE  33   9.831   0.611  -0.556
  269    HD1  PHE  33           HD1      PHE  33   9.241  -1.681  -2.246
  270    HD2  PHE  33           HD2      PHE  33   7.902  -0.807   1.700
  271    HE1  PHE  33           HE1      PHE  33   8.941  -4.086  -1.817
  272    HE2  PHE  33           HE2      PHE  33   7.584  -3.215   2.132
  273    HZ   PHE  33           HZ       PHE  33   8.113  -4.856   0.371
  274    H    ARG  34           HN       ARG  34  10.259   2.677   0.319
  275    HA   ARG  34           HA       ARG  34   8.844   5.190   0.150
  276   1HB   ARG  34          HB3       ARG  34  10.998   6.295   0.190
  277   2HB   ARG  34          HB2       ARG  34  10.892   5.111   1.478
  278   1HG   ARG  34          HG2       ARG  34  12.261   3.570   0.135
  279   2HG   ARG  34          HG3       ARG  34  12.423   4.832  -1.093
  280   1HD   ARG  34          HD3       ARG  34  13.314   6.328   0.710
  281   2HD   ARG  34          HD2       ARG  34  13.330   4.926   1.775
  282    HE   ARG  34           HE       ARG  34  14.779   4.230  -0.494
  283   1HH1  ARG  34          HH12      ARG  34  15.338   6.936   1.945
  284   2HH1  ARG  34          HH11      ARG  34  16.119   5.594   2.733
  285   1HH2  ARG  34          HH21      ARG  34  17.345   4.078   0.275
  286   2HH2  ARG  34          HH22      ARG  34  17.645   5.733  -0.174
  287    H    ASN  35           HN       ASN  35   8.418   6.338  -1.555
  288    HA   ASN  35           HA       ASN  35   8.303   7.100  -3.683
  289   1HB   ASN  35          HB2       ASN  35  10.891   6.381  -3.635
  290   2HB   ASN  35          HB3       ASN  35  10.299   5.223  -4.821
  291   1HD2  ASN  35          HD21      ASN  35  12.036   7.659  -4.935
  292   2HD2  ASN  35          HD22      ASN  35  11.429   8.480  -6.327
  293    H    LYS  36           HN       LYS  36   7.013   4.457  -2.600
  294    HA   LYS  36           HA       LYS  36   5.430   3.971  -4.834
  295   1HB   LYS  36          HB2       LYS  36   6.117   1.832  -5.636
  296   2HB   LYS  36          HB3       LYS  36   7.514   2.899  -5.704
  297   1HG   LYS  36          HG2       LYS  36   8.587   1.830  -3.955
  298   2HG   LYS  36          HG3       LYS  36   7.092   1.138  -3.322
  299   1HD   LYS  36          HD3       LYS  36   8.438  -0.594  -4.361
  300   2HD   LYS  36          HD2       LYS  36   6.965  -0.329  -5.303
  301   1HE   LYS  36          HE3       LYS  36   8.216   1.064  -6.867
  302   2HE   LYS  36          HE2       LYS  36   9.680   0.831  -5.913
  303   1HZ   LYS  36          HZ1       LYS  36   8.616  -1.690  -6.532
  304   2HZ   LYS  36          HZ2       LYS  36  10.089  -1.014  -7.032
  305   3HZ   LYS  36          HZ3       LYS  36   8.693  -0.783  -7.965
  306    H    ILE  37           HN       ILE  37   4.129   1.951  -4.631
  307    HA   ILE  37           HA       ILE  37   3.829   0.991  -1.856
  308    HB   ILE  37           HB       ILE  37   1.575   1.991  -3.616
  309   1HG1  ILE  37          HG12      ILE  37   2.478   2.744  -0.828
  310   2HG1  ILE  37          HG13      ILE  37   2.692   3.714  -2.281
  311   1HG2  ILE  37          HG21      ILE  37   0.101   1.183  -1.718
  312   2HG2  ILE  37          HG22      ILE  37   0.810  -0.078  -2.727
  313   3HG2  ILE  37          HG23      ILE  37   1.494   0.268  -1.138
  314   1HD1  ILE  37          HD11      ILE  37   0.223   3.864  -2.475
  315   2HD1  ILE  37          HD12      ILE  37   0.099   3.030  -0.923
  316   3HD1  ILE  37          HD13      ILE  37   0.879   4.606  -1.016
  317    H    MET  38           HN       MET  38   4.298  -1.113  -2.068
  318    HA   MET  38           HA       MET  38   3.421  -2.495  -4.511
  319   1HB   MET  38          HB2       MET  38   5.804  -2.447  -4.396
  320   2HB   MET  38          HB3       MET  38   5.794  -2.940  -2.710
  321   1HG   MET  38          HG3       MET  38   4.908  -5.130  -3.371
  322   2HG   MET  38          HG2       MET  38   4.998  -4.640  -5.061
  323   1HE   MET  38          HE1       MET  38   5.863  -7.021  -4.644
  324   2HE   MET  38          HE2       MET  38   7.346  -6.964  -5.593
  325   3HE   MET  38          HE3       MET  38   7.405  -7.435  -3.895
  326    H    PHE  39           HN       PHE  39   1.818  -3.853  -4.288
  327    HA   PHE  39           HA       PHE  39   1.687  -5.452  -1.840
  328   1HB   PHE  39          HB3       PHE  39  -0.825  -5.395  -2.032
  329   2HB   PHE  39          HB2       PHE  39  -0.077  -3.876  -1.557
  330    HD1  PHE  39           HD1      PHE  39   0.136  -2.034  -3.201
  331    HD2  PHE  39           HD2      PHE  39  -2.120  -5.552  -4.013
  332    HE1  PHE  39           HE1      PHE  39  -1.020  -0.868  -5.030
  333    HE2  PHE  39           HE2      PHE  39  -3.267  -4.394  -5.859
  334    HZ   PHE  39           HZ       PHE  39  -2.719  -2.047  -6.368
  335    H    THR  40           HN       THR  40   0.404  -7.437  -2.133
  336    HA   THR  40           HA       THR  40   0.694  -8.501  -4.873
  337    HB   THR  40           HB       THR  40   1.033 -10.174  -2.394
  338    HG1  THR  40           HG1      THR  40   2.587  -8.158  -3.036
  339   1HG2  THR  40          HG21      THR  40   1.270 -11.762  -3.928
  340   2HG2  THR  40          HG22      THR  40   2.814 -11.007  -4.322
  341   3HG2  THR  40          HG23      THR  40   1.369 -10.590  -5.244
  342    H    GLU  41           HN       GLU  41  -1.071  -9.456  -5.707
  343    HA   GLU  41           HA       GLU  41  -3.501  -9.465  -4.152
  344   1HB   GLU  41          HB3       GLU  41  -3.163 -10.457  -6.976
  345   2HB   GLU  41          HB2       GLU  41  -4.625  -9.853  -6.210
  346   1HG   GLU  41          HG2       GLU  41  -3.661  -7.615  -6.127
  347   2HG   GLU  41          HG3       GLU  41  -2.190  -8.225  -6.888
  348    H    GLN  42           HN       GLN  42  -4.581 -11.176  -3.381
  349    HA   GLN  42           HA       GLN  42  -3.898 -13.886  -4.209
  350   1HB   GLN  42          HB2       GLN  42  -3.751 -12.991  -1.312
  351   2HB   GLN  42          HB3       GLN  42  -3.618 -14.651  -1.867
  352   1HG   GLN  42          HG3       GLN  42  -1.567 -13.981  -3.126
  353   2HG   GLN  42          HG2       GLN  42  -1.676 -12.404  -2.344
  354   1HE2  GLN  42          HE21      GLN  42  -0.023 -15.114  -2.224
  355   2HE2  GLN  42          HE22      GLN  42   0.197 -15.349  -0.526
  356    H    ASP  43           HN       ASP  43  -5.794 -15.092  -4.301
  357    HA   ASP  43           HA       ASP  43  -8.158 -13.841  -3.074
  358   1HB   ASP  43          HB2       ASP  43  -8.039 -14.431  -5.592
  359   2HB   ASP  43          HB3       ASP  43  -8.244 -16.100  -5.076
  360    H    ALA  44           HN       ALA  44  -9.840 -15.568  -2.325
  361    HA   ALA  44           HA       ALA  44  -8.923 -16.810  -0.053
  362   1HB   ALA  44          HB1       ALA  44 -11.056 -18.177  -0.187
  363   2HB   ALA  44          HB2       ALA  44 -11.245 -16.424  -0.273
  364   3HB   ALA  44          HB3       ALA  44 -11.343 -17.391  -1.740
  365    H    SER  45           HN       SER  45  -7.357 -18.282   0.064
  366    HA   SER  45           HA       SER  45  -6.161 -20.174  -0.170
  367   1HB   SER  45          HB2       SER  45  -8.328 -21.275   0.302
  368   2HB   SER  45          HB3       SER  45  -8.667 -21.320  -1.427
  369    HG   SER  45           HG       SER  45  -7.686 -23.188  -1.304
  370    H    THR  46           HN       THR  46  -8.056 -20.736  -3.094
  371    HA   THR  46           HA       THR  46  -5.707 -20.011  -4.690
  372    HB   THR  46           HB       THR  46  -6.595 -21.881  -6.279
  373    HG1  THR  46           HG1      THR  46  -7.772 -23.449  -5.367
  374   1HG2  THR  46          HG21      THR  46  -4.445 -22.144  -5.336
  375   2HG2  THR  46          HG22      THR  46  -5.324 -23.645  -5.049
  376   3HG2  THR  46          HG23      THR  46  -5.111 -22.484  -3.740
  377    H    SER  47           HN       SER  47  -9.080 -21.031  -5.191
  378    HA   SER  47           HA       SER  47 -10.833 -20.114  -6.280
  379   1HB   SER  47          HB3       SER  47 -10.678 -18.397  -4.602
  380   2HB   SER  47          HB2       SER  47  -9.398 -17.570  -5.484
  381    HG   SER  47           HG       SER  47 -10.977 -16.458  -6.292
  382    HA   PRO  48           HA       PRO  48 -10.006 -19.985 -10.599
  383   1HB   PRO  48          HB2       PRO  48 -12.239 -18.006 -10.664
  384   2HB   PRO  48          HB3       PRO  48 -11.984 -19.448 -11.655
  385   1HG   PRO  48          HG2       PRO  48 -13.732 -19.474  -9.651
  386   2HG   PRO  48          HG3       PRO  48 -12.707 -20.883  -9.974
  387   1HD   PRO  48          HD2       PRO  48 -12.510 -18.846  -7.808
  388   2HD   PRO  48          HD3       PRO  48 -12.094 -20.571  -7.776
  389    HA   PRO  49           HA       PRO  49  -9.355 -15.243 -11.411
  390   1HB   PRO  49          HB2       PRO  49  -9.696 -14.022  -8.734
  391   2HB   PRO  49          HB3       PRO  49 -10.270 -13.460 -10.310
  392   1HG   PRO  49          HG3       PRO  49 -11.973 -14.467  -8.519
  393   2HG   PRO  49          HG2       PRO  49 -12.156 -14.805 -10.252
  394   1HD   PRO  49          HD3       PRO  49 -10.983 -16.544  -8.101
  395   2HD   PRO  49          HD2       PRO  49 -12.101 -16.980  -9.411
  396    H    SER  50           HN       SER  50  -8.622 -15.950  -8.001
  397    HA   SER  50           HA       SER  50  -6.704 -16.122  -6.818
  398   1HB   SER  50          HB2       SER  50  -5.394 -16.473  -9.530
  399   2HB   SER  50          HB3       SER  50  -4.620 -16.779  -7.976
  400    HG   SER  50           HG       SER  50  -6.935 -18.112  -8.052
  401    H    TYR  51           HN       TYR  51  -4.939 -14.720  -9.497
  402    HA   TYR  51           HA       TYR  51  -5.096 -12.054  -8.340
  403   1HB   TYR  51          HB2       TYR  51  -2.748 -11.746  -8.138
  404   2HB   TYR  51          HB3       TYR  51  -3.100 -13.262  -7.319
  405    HD1  TYR  51           HD1      TYR  51  -3.063 -15.327  -9.238
  406    HD2  TYR  51           HD2      TYR  51  -0.763 -11.752  -9.202
  407    HE1  TYR  51           HE1      TYR  51  -1.335 -16.434 -10.591
  408    HE2  TYR  51           HE2      TYR  51   0.973 -12.840 -10.551
  409    HH   TYR  51           HH       TYR  51   1.685 -14.754 -11.469
  410    H    THR  52           HN       THR  52  -4.096 -10.442  -9.826
  411    HA   THR  52           HA       THR  52  -4.553 -11.307 -12.594
  412    HB   THR  52           HB       THR  52  -4.273  -8.461 -11.619
  413    HG1  THR  52           HG1      THR  52  -6.811  -8.973 -11.956
  414   1HG2  THR  52          HG21      THR  52  -4.235  -8.973 -14.080
  415   2HG2  THR  52          HG22      THR  52  -5.483  -7.847 -13.542
  416   3HG2  THR  52          HG23      THR  52  -5.900  -9.523 -13.903
  417    H    HIS  53           HN       HIS  53  -2.430  -9.258 -10.667
  418    HA   HIS  53           HA       HIS  53  -0.025 -10.315 -11.823
  419   1HB   HIS  53          HB3       HIS  53  -0.950  -7.524 -12.513
  420   2HB   HIS  53          HB2       HIS  53   0.760  -7.935 -12.471
  421    HD1  HIS  53           HD1      HIS  53   1.146 -10.336 -14.065
  422    HD2  HIS  53           HD2      HIS  53  -1.882  -7.632 -14.986
  423    HE1  HIS  53           HE1      HIS  53   0.566 -10.753 -16.477
  424    HE2  HIS  53           HE2      HIS  53  -1.373  -9.214 -16.959
  425    H    TYR  54           HN       TYR  54   1.801  -8.531 -10.969
  426    HA   TYR  54           HA       TYR  54   1.145  -8.262  -8.121
  427   1HB   TYR  54          HB2       TYR  54   3.794  -8.138  -9.591
  428   2HB   TYR  54          HB3       TYR  54   3.615  -7.748  -7.884
  429    HD1  TYR  54           HD1      TYR  54   5.524  -9.741  -8.453
  430    HD2  TYR  54           HD2      TYR  54   1.309 -10.202  -8.138
  431    HE1  TYR  54           HE1      TYR  54   5.829 -12.105  -7.837
  432    HE2  TYR  54           HE2      TYR  54   1.602 -12.567  -7.539
  433    HH   TYR  54           HH       TYR  54   3.024 -14.228  -7.205
  434    H    SER  55           HN       SER  55  -0.345  -6.618  -8.792
  435    HA   SER  55           HA       SER  55   0.147  -4.298 -10.113
  436   1HB   SER  55          HB3       SER  55  -1.615  -4.651  -7.678
  437   2HB   SER  55          HB2       SER  55  -1.730  -3.332  -8.845
  438    HG   SER  55           HG       SER  55  -3.151  -5.298  -9.104
  439    H    SER  56           HN       SER  56   1.373  -2.597  -9.874
  440    HA   SER  56           HA       SER  56   2.518  -2.025  -7.218
  441   1HB   SER  56          HB2       SER  56   4.171  -2.705  -8.970
  442   2HB   SER  56          HB3       SER  56   3.672  -1.318  -9.936
  443    HG   SER  56           HG       SER  56   5.595  -1.086  -8.507
  444    H    ILE  57           HN       ILE  57   2.346   0.030  -6.424
  445    HA   ILE  57           HA       ILE  57   0.709   1.870  -8.035
  446    HB   ILE  57           HB       ILE  57   0.820   1.466  -5.058
  447   1HG1  ILE  57          HG12      ILE  57  -0.703   0.032  -6.342
  448   2HG1  ILE  57          HG13      ILE  57  -1.583   1.128  -5.285
  449   1HG2  ILE  57          HG21      ILE  57  -0.655   3.410  -4.805
  450   2HG2  ILE  57          HG22      ILE  57   0.915   3.872  -5.462
  451   3HG2  ILE  57          HG23      ILE  57  -0.486   3.757  -6.526
  452   1HD1  ILE  57          HD11      ILE  57  -2.457   2.324  -7.023
  453   2HD1  ILE  57          HD12      ILE  57  -1.128   1.923  -8.115
  454   3HD1  ILE  57          HD13      ILE  57  -2.352   0.714  -7.742
  455    H    ARG  58           HN       ARG  58   1.408   3.766  -8.448
  456    HA   ARG  58           HA       ARG  58   4.136   4.491  -7.825
  457   1HB   ARG  58          HB3       ARG  58   2.908   4.876 -10.052
  458   2HB   ARG  58          HB2       ARG  58   2.142   6.206  -9.195
  459   1HG   ARG  58          HG3       ARG  58   4.288   6.580 -10.659
  460   2HG   ARG  58          HG2       ARG  58   3.954   7.511  -9.199
  461   1HD   ARG  58          HD2       ARG  58   5.364   6.058  -7.905
  462   2HD   ARG  58          HD3       ARG  58   5.662   5.038  -9.318
  463    HE   ARG  58           HE       ARG  58   6.411   7.642  -9.979
  464   1HH1  ARG  58          HH12      ARG  58   8.118   5.676  -7.204
  465   2HH1  ARG  58          HH11      ARG  58   8.592   4.869  -8.672
  466   1HH2  ARG  58          HH22      ARG  58   8.783   8.533  -8.916
  467   2HH2  ARG  58          HH21      ARG  58   9.662   7.226  -9.659
  468    H    LEU  59           HN       LEU  59   4.630   5.470  -6.105
  469    HA   LEU  59           HA       LEU  59   2.712   7.109  -4.610
  470   1HB   LEU  59          HB2       LEU  59   3.887   5.143  -3.525
  471   2HB   LEU  59          HB3       LEU  59   5.386   6.023  -3.725
  472    HG   LEU  59           HG       LEU  59   4.325   7.859  -2.305
  473   1HD1  LEU  59          HD11      LEU  59   2.659   6.124  -0.809
  474   2HD1  LEU  59          HD12      LEU  59   2.235   7.625  -1.638
  475   3HD1  LEU  59          HD13      LEU  59   2.128   6.093  -2.494
  476   1HD2  LEU  59          HD21      LEU  59   4.978   5.149  -1.161
  477   2HD2  LEU  59          HD22      LEU  59   6.097   6.479  -1.465
  478   3HD2  LEU  59          HD23      LEU  59   4.871   6.634  -0.211
  479    H    ASP  60           HN       ASP  60   3.622   8.345  -6.829
  480    HA   ASP  60           HA       ASP  60   5.668  10.232  -5.851
  481   1HB   ASP  60          HB2       ASP  60   6.276   8.607  -7.742
  482   2HB   ASP  60          HB3       ASP  60   5.192   9.577  -8.720
  483    H    LYS  61           HN       LYS  61   3.090   9.867  -8.280
  484    HA   LYS  61           HA       LYS  61   2.086  12.541  -7.610
  485   1HB   LYS  61          HB2       LYS  61   2.588  11.583 -10.436
  486   2HB   LYS  61          HB3       LYS  61   1.913  13.136  -9.967
  487   1HG   LYS  61          HG2       LYS  61   3.972  13.886  -9.104
  488   2HG   LYS  61          HG3       LYS  61   4.670  12.265  -9.162
  489   1HD   LYS  61          HD2       LYS  61   3.791  13.829 -11.587
  490   2HD   LYS  61          HD3       LYS  61   5.451  13.765 -10.991
  491   1HE   LYS  61          HE2       LYS  61   5.620  11.446 -11.431
  492   2HE   LYS  61          HE3       LYS  61   3.885  11.298 -11.703
  493   1HZ   LYS  61          HZ1       LYS  61   4.068  12.007 -13.804
  494   2HZ   LYS  61          HZ2       LYS  61   5.691  11.543 -13.653
  495   3HZ   LYS  61          HZ3       LYS  61   5.255  13.171 -13.448
  496    H    TYR  62           HN       TYR  62   0.551  10.892  -6.563
  497    HA   TYR  62           HA       TYR  62  -1.581  10.309  -8.504
  498   1HB   TYR  62          HB3       TYR  62  -1.957   8.108  -7.734
  499   2HB   TYR  62          HB2       TYR  62  -0.205   8.217  -7.896
  500    HD1  TYR  62           HD1      TYR  62  -2.811   7.146  -5.814
  501    HD2  TYR  62           HD2      TYR  62   1.045   8.951  -5.673
  502    HE1  TYR  62           HE1      TYR  62  -2.564   6.430  -3.479
  503    HE2  TYR  62           HE2      TYR  62   1.298   8.236  -3.334
  504    HH   TYR  62           HH       TYR  62  -0.106   7.603  -1.441
  505    H    ASN  63           HN       ASN  63  -3.749  10.072  -7.448
  506    HA   ASN  63           HA       ASN  63  -3.855  11.883  -5.146
  507   1HB   ASN  63          HB2       ASN  63  -5.064  12.606  -7.144
  508   2HB   ASN  63          HB3       ASN  63  -6.030  11.136  -7.093
  509   1HD2  ASN  63          HD21      ASN  63  -7.952  11.448  -6.297
  510   2HD2  ASN  63          HD22      ASN  63  -8.412  12.711  -5.225
  511    H    ILE  64           HN       ILE  64  -3.929  10.856  -3.312
  512    HA   ILE  64           HA       ILE  64  -5.657   8.480  -3.078
  513    HB   ILE  64           HB       ILE  64  -3.227   8.111  -2.573
  514   1HG1  ILE  64          HG12      ILE  64  -4.957   7.711  -0.136
  515   2HG1  ILE  64          HG13      ILE  64  -5.204   6.807  -1.627
  516   1HG2  ILE  64          HG21      ILE  64  -2.202   8.995  -0.637
  517   2HG2  ILE  64          HG22      ILE  64  -2.924  10.369  -1.478
  518   3HG2  ILE  64          HG23      ILE  64  -3.717   9.687  -0.060
  519   1HD1  ILE  64          HD11      ILE  64  -2.448   6.791  -0.662
  520   2HD1  ILE  64          HD12      ILE  64  -3.610   6.030   0.426
  521   3HD1  ILE  64          HD13      ILE  64  -3.462   5.467  -1.238
  522    H    ARG  65           HN       ARG  65  -7.223   8.449  -1.487
  523    HA   ARG  65           HA       ARG  65  -7.491  10.878   0.155
  524   1HB   ARG  65          HB3       ARG  65  -9.670   9.540  -1.461
  525   2HB   ARG  65          HB2       ARG  65  -9.946  10.815  -0.289
  526   1HG   ARG  65          HG2       ARG  65  -8.205  11.184  -2.710
  527   2HG   ARG  65          HG3       ARG  65  -9.943  11.488  -2.712
  528   1HD   ARG  65          HD2       ARG  65  -8.877  13.572  -2.346
  529   2HD   ARG  65          HD3       ARG  65  -9.580  13.075  -0.810
  530    HE   ARG  65           HE       ARG  65  -6.890  12.223  -0.938
  531   1HH1  ARG  65          HH12      ARG  65  -8.110  15.563  -1.216
  532   2HH1  ARG  65          HH11      ARG  65  -7.902  15.797   0.488
  533   1HH2  ARG  65          HH22      ARG  65  -5.096  13.793  -0.141
  534   2HH2  ARG  65          HH21      ARG  65  -5.816  14.599   1.228
  535    H    GLN  66           HN       GLN  66  -9.337  10.520   1.794
  536    HA   GLN  66           HA       GLN  66  -9.677   7.767   2.612
  537   1HB   GLN  66          HB3       GLN  66  -8.945   8.388   4.992
  538   2HB   GLN  66          HB2       GLN  66  -7.685   8.056   3.812
  539   1HG   GLN  66          HG3       GLN  66  -6.765   9.959   4.482
  540   2HG   GLN  66          HG2       GLN  66  -8.054  10.776   3.599
  541   1HE2  GLN  66          HE21      GLN  66  -6.560  10.495   6.530
  542   2HE2  GLN  66          HE22      GLN  66  -7.706  11.410   7.435
  543    H    HIS  67           HN       HIS  67 -11.590   7.443   3.599
  544    HA   HIS  67           HA       HIS  67 -13.142   9.847   4.312
  545   1HB   HIS  67          HB3       HIS  67 -14.066   7.278   3.006
  546   2HB   HIS  67          HB2       HIS  67 -15.156   8.515   3.624
  547    HD1  HIS  67           HD1      HIS  67 -14.950  10.923   2.407
  548    HD2  HIS  67           HD2      HIS  67 -13.156   7.706   0.471
  549    HE1  HIS  67           HE1      HIS  67 -14.538  11.693   0.044
  550    HE2  HIS  67           HE2      HIS  67 -13.287   9.793  -1.053
  551    H    THR  68           HN       THR  68 -13.150   9.884   6.465
  552    HA   THR  68           HA       THR  68 -13.384   7.369   7.938
  553    HB   THR  68           HB       THR  68 -12.931   9.049   9.895
  554    HG1  THR  68           HG1      THR  68 -13.061  10.994   8.961
  555   1HG2  THR  68          HG21      THR  68 -10.844   8.291   9.886
  556   2HG2  THR  68          HG22      THR  68 -10.484   9.054   8.339
  557   3HG2  THR  68          HG23      THR  68 -11.259   7.470   8.379
  558    H    THR  69           HN       THR  69 -14.369   9.507  10.113
  559    HA   THR  69           HA       THR  69 -16.315  10.187  11.054
  560    HB   THR  69           HB       THR  69 -17.651   9.706   8.392
  561    HG1  THR  69           HG1      THR  69 -17.149  12.148   8.353
  562   1HG2  THR  69          HG21      THR  69 -19.438  10.370   9.580
  563   2HG2  THR  69          HG22      THR  69 -18.735  11.970   9.359
  564   3HG2  THR  69          HG23      THR  69 -18.460  11.083  10.860
  565    H    ASP  70           HN       ASP  70 -16.787   7.426   8.895
  566    HA   ASP  70           HA       ASP  70 -18.368   6.136  11.027
  567   1HB   ASP  70          HB2       ASP  70 -19.699   6.375   9.018
  568   2HB   ASP  70          HB3       ASP  70 -18.420   5.666   8.035
  569    H    GLU  71           HN       GLU  71 -16.223   5.311   8.332
  570    HA   GLU  71           HA       GLU  71 -14.608   3.625  10.082
  571   1HB   GLU  71          HB3       GLU  71 -16.374   2.156   8.994
  572   2HB   GLU  71          HB2       GLU  71 -15.671   2.602   7.448
  573   1HG   GLU  71          HG3       GLU  71 -13.521   1.623   8.183
  574   2HG   GLU  71          HG2       GLU  71 -14.331   1.063   9.647
  575    H    ASP  72           HN       ASP  72 -12.475   3.719   9.476
  576    HA   ASP  72           HA       ASP  72 -11.700   5.733   7.659
  577   1HB   ASP  72          HB2       ASP  72  -9.355   4.699   8.040
  578   2HB   ASP  72          HB3       ASP  72 -10.176   5.502   9.366
  579    H    THR  73           HN       THR  73 -12.481   5.334   5.693
  580    HA   THR  73           HA       THR  73 -11.677   2.911   4.277
  581    HB   THR  73           HB       THR  73 -13.573   5.145   3.530
  582    HG1  THR  73           HG1      THR  73 -14.092   3.741   5.372
  583   1HG2  THR  73          HG21      THR  73 -12.501   3.455   1.744
  584   2HG2  THR  73          HG22      THR  73 -14.136   4.104   1.628
  585   3HG2  THR  73          HG23      THR  73 -13.872   2.494   2.298
  586    H    ILE  74           HN       ILE  74  -9.799   2.974   3.210
  587    HA   ILE  74           HA       ILE  74  -8.740   5.536   2.287
  588    HB   ILE  74           HB       ILE  74  -7.432   2.806   2.273
  589   1HG1  ILE  74          HG12      ILE  74  -7.864   3.580   4.569
  590   2HG1  ILE  74          HG13      ILE  74  -6.142   3.603   4.204
  591   1HG2  ILE  74          HG21      ILE  74  -6.479   5.547   1.551
  592   2HG2  ILE  74          HG22      ILE  74  -5.349   4.322   2.128
  593   3HG2  ILE  74          HG23      ILE  74  -6.295   4.030   0.669
  594   1HD1  ILE  74          HD11      ILE  74  -7.427   5.603   5.396
  595   2HD1  ILE  74          HD12      ILE  74  -5.997   5.829   4.389
  596   3HD1  ILE  74          HD13      ILE  74  -7.603   6.102   3.713
  597    H    VAL  75           HN       VAL  75  -8.835   6.136   0.173
  598    HA   VAL  75           HA       VAL  75  -9.178   4.054  -1.865
  599    HB   VAL  75           HB       VAL  75 -10.721   5.397  -3.093
  600   1HG1  VAL  75          HG11      VAL  75 -11.585   4.026  -1.137
  601   2HG1  VAL  75          HG12      VAL  75 -11.787   5.568  -0.307
  602   3HG1  VAL  75          HG13      VAL  75 -12.662   5.252  -1.807
  603   1HG2  VAL  75          HG21      VAL  75  -9.942   7.588  -2.756
  604   2HG2  VAL  75          HG22      VAL  75 -11.604   7.543  -2.154
  605   3HG2  VAL  75          HG23      VAL  75 -10.255   7.500  -1.018
  606    H    LEU  76           HN       LEU  76  -8.558   4.872  -4.058
  607    HA   LEU  76           HA       LEU  76  -6.776   7.152  -4.048
  608   1HB   LEU  76          HB3       LEU  76  -4.921   5.921  -5.038
  609   2HB   LEU  76          HB2       LEU  76  -5.281   5.395  -3.406
  610    HG   LEU  76           HG       LEU  76  -6.479   3.914  -5.676
  611   1HD1  LEU  76          HD21      LEU  76  -4.355   2.466  -5.560
  612   2HD1  LEU  76          HD22      LEU  76  -4.302   3.966  -6.489
  613   3HD1  LEU  76          HD23      LEU  76  -3.600   3.905  -4.874
  614   1HD2  LEU  76          HD11      LEU  76  -5.604   3.290  -2.873
  615   2HD2  LEU  76          HD12      LEU  76  -7.207   3.135  -3.594
  616   3HD2  LEU  76          HD13      LEU  76  -5.930   2.011  -4.044
  617    H    GLN  77           HN       GLN  77  -6.819   8.252  -5.857
  618    HA   GLN  77           HA       GLN  77  -8.184   7.041  -8.174
  619   1HB   GLN  77          HB2       GLN  77  -8.123   9.915  -7.216
  620   2HB   GLN  77          HB3       GLN  77  -8.843   9.393  -8.737
  621   1HG   GLN  77          HG2       GLN  77 -10.544   8.212  -7.666
  622   2HG   GLN  77          HG3       GLN  77  -9.693   8.210  -6.123
  623   1HE2  GLN  77          HE21      GLN  77 -12.054   9.671  -7.966
  624   2HE2  GLN  77          HE22      GLN  77 -12.360  11.017  -6.914
  625    HA   PRO  78           HA       PRO  78  -4.313   7.758 -10.255
  626   1HB   PRO  78          HB2       PRO  78  -5.075   7.030 -12.726
  627   2HB   PRO  78          HB3       PRO  78  -4.847   5.849 -11.432
  628   1HG   PRO  78          HG3       PRO  78  -7.379   7.052 -12.486
  629   2HG   PRO  78          HG2       PRO  78  -7.048   5.372 -12.030
  630   1HD   PRO  78          HD2       PRO  78  -8.359   7.155 -10.420
  631   2HD   PRO  78          HD3       PRO  78  -7.424   5.778  -9.804
  632    H    GLN  79           HN       GLN  79  -3.402   9.520 -11.192
  633    HA   GLN  79           HA       GLN  79  -5.162  11.365 -12.658
  634   1HB   GLN  79          HB2       GLN  79  -3.659  13.197 -11.910
  635   2HB   GLN  79          HB3       GLN  79  -4.484  12.406 -10.578
  636   1HG   GLN  79          HG3       GLN  79  -2.402  11.061 -10.218
  637   2HG   GLN  79          HG2       GLN  79  -1.613  12.111 -11.395
  638   1HE2  GLN  79          HE21      GLN  79  -0.598  13.804 -10.601
  639   2HE2  GLN  79          HE22      GLN  79  -0.917  14.564  -9.080
  640    H    GLU  80           HN       GLU  80  -2.872   9.127 -12.934
  641    HA   GLU  80           HA       GLU  80  -1.843  10.247 -15.440
  642   1HB   GLU  80          HB3       GLU  80  -0.276   8.587 -13.444
  643   2HB   GLU  80          HB2       GLU  80   0.295   9.053 -15.039
  644   1HG   GLU  80          HG3       GLU  80  -0.002  11.455 -14.270
  645   2HG   GLU  80          HG2       GLU  80  -0.166  10.791 -12.644
  646    HA   PRO  81           HA       PRO  81  -3.892   6.569 -16.870
  647   1HB   PRO  81          HB3       PRO  81  -2.181   6.745 -19.254
  648   2HB   PRO  81          HB2       PRO  81  -3.937   6.843 -19.119
  649   1HG   PRO  81          HG3       PRO  81  -2.377   8.978 -19.667
  650   2HG   PRO  81          HG2       PRO  81  -3.923   9.100 -18.811
  651   1HD   PRO  81          HD3       PRO  81  -1.147   9.263 -17.759
  652   2HD   PRO  81          HD2       PRO  81  -2.619  10.077 -17.194
  653    H    GLY  82           HN       GLY  82  -3.301   4.771 -15.831
  654   1HA   GLY  82          HA1       GLY  82  -1.855   2.751 -16.722
  655   2HA   GLY  82          HA2       GLY  82  -0.565   3.758 -16.079
  656    H    LEU  83           HN       LEU  83  -2.513   4.736 -13.996
  657    HA   LEU  83           HA       LEU  83  -2.080   2.517 -12.151
  658   1HB   LEU  83          HB3       LEU  83  -2.571   5.455 -11.770
  659   2HB   LEU  83          HB2       LEU  83  -2.694   4.324 -10.438
  660    HG   LEU  83           HG       LEU  83  -0.228   4.984 -12.048
  661   1HD1  LEU  83          HD21      LEU  83  -1.018   6.519 -10.186
  662   2HD1  LEU  83          HD22      LEU  83  -0.678   5.182  -9.081
  663   3HD1  LEU  83          HD23      LEU  83   0.622   5.884 -10.038
  664   1HD2  LEU  83          HD11      LEU  83   0.915   3.232 -11.073
  665   2HD2  LEU  83          HD12      LEU  83  -0.227   3.091  -9.737
  666   3HD2  LEU  83          HD13      LEU  83  -0.665   2.499 -11.341
  667    HA   PRO  84           HA       PRO  84  -6.448   1.792 -12.091
  668   1HB   PRO  84          HB2       PRO  84  -6.119  -0.236 -10.136
  669   2HB   PRO  84          HB3       PRO  84  -6.230  -0.451 -11.881
  670   1HG   PRO  84          HG2       PRO  84  -3.973  -0.957 -10.321
  671   2HG   PRO  84          HG3       PRO  84  -3.987  -0.758 -12.082
  672   1HD   PRO  84          HD2       PRO  84  -3.246   1.207  -9.958
  673   2HD   PRO  84          HD3       PRO  84  -2.571   0.991 -11.588
  674    H    SER  85           HN       SER  85  -8.219   1.718 -10.467
  675    HA   SER  85           HA       SER  85  -7.458   3.142  -8.004
  676   1HB   SER  85          HB3       SER  85  -9.818   4.134  -8.126
  677   2HB   SER  85          HB2       SER  85  -8.626   4.757  -9.263
  678    HG   SER  85           HG       SER  85  -9.638   2.861 -10.602
  679    H    PHE  86           HN       PHE  86  -7.599   1.792  -6.378
  680    HA   PHE  86           HA       PHE  86  -9.887  -0.064  -6.303
  681   1HB   PHE  86          HB3       PHE  86  -8.558  -1.644  -5.088
  682   2HB   PHE  86          HB2       PHE  86  -7.674  -1.171  -6.528
  683    HD1  PHE  86           HD1      PHE  86  -7.897  -0.532  -2.883
  684    HD2  PHE  86           HD2      PHE  86  -5.483  -0.456  -6.380
  685    HE1  PHE  86           HE1      PHE  86  -5.917  -0.104  -1.495
  686    HE2  PHE  86           HE2      PHE  86  -3.493  -0.022  -4.998
  687    HZ   PHE  86           HZ       PHE  86  -3.716   0.139  -2.540
  688    H    ARG  87           HN       ARG  87 -10.191  -0.853  -3.891
  689    HA   ARG  87           HA       ARG  87 -10.113   1.463  -2.081
  690   1HB   ARG  87          HB2       ARG  87 -12.516  -0.364  -2.309
  691   2HB   ARG  87          HB3       ARG  87 -12.382   1.108  -1.362
  692   1HG   ARG  87          HG3       ARG  87 -13.637   1.847  -3.119
  693   2HG   ARG  87          HG2       ARG  87 -12.017   2.216  -3.715
  694   1HD   ARG  87          HD3       ARG  87 -11.996   0.128  -4.976
  695   2HD   ARG  87          HD2       ARG  87 -13.597  -0.272  -4.357
  696    HE   ARG  87           HE       ARG  87 -13.663   2.229  -5.690
  697   1HH1  ARG  87          HH11      ARG  87 -14.722  -1.166  -6.338
  698   2HH1  ARG  87          HH12      ARG  87 -13.579  -1.190  -7.654
  699   1HH2  ARG  87          HH21      ARG  87 -13.988   1.775  -8.560
  700   2HH2  ARG  87          HH22      ARG  87 -15.556   1.477  -7.853
  701    H    ILE  88           HN       ILE  88  -9.414   0.931  -0.062
  702    HA   ILE  88           HA       ILE  88  -9.379  -1.936   0.598
  703    HB   ILE  88           HB       ILE  88  -7.430  -1.229   2.168
  704   1HG1  ILE  88          HG12      ILE  88  -7.248   0.851  -0.022
  705   2HG1  ILE  88          HG13      ILE  88  -7.560   1.176   1.682
  706   1HG2  ILE  88          HG21      ILE  88  -6.342  -2.580   0.786
  707   2HG2  ILE  88          HG22      ILE  88  -7.668  -2.403  -0.364
  708   3HG2  ILE  88          HG23      ILE  88  -6.264  -1.330  -0.459
  709   1HD1  ILE  88          HD11      ILE  88  -5.142  -0.381   1.248
  710   2HD1  ILE  88          HD12      ILE  88  -5.109   1.196   0.454
  711   3HD1  ILE  88          HD13      ILE  88  -5.394   1.088   2.193
  712    H    LYS  89           HN       LYS  89 -10.486  -2.535   2.275
  713    HA   LYS  89           HA       LYS  89 -11.325  -0.510   4.246
  714   1HB   LYS  89          HB2       LYS  89 -12.880  -2.916   3.259
  715   2HB   LYS  89          HB3       LYS  89 -13.450  -1.714   4.407
  716   1HG   LYS  89          HG3       LYS  89 -12.589  -0.789   1.723
  717   2HG   LYS  89          HG2       LYS  89 -14.128  -1.643   1.867
  718   1HD   LYS  89          HD3       LYS  89 -13.328   0.791   3.464
  719   2HD   LYS  89          HD2       LYS  89 -14.377   0.807   2.046
  720   1HE   LYS  89          HE3       LYS  89 -15.968  -0.649   3.220
  721   2HE   LYS  89          HE2       LYS  89 -14.923  -0.631   4.640
  722   1HZ   LYS  89          HZ1       LYS  89 -15.199   1.888   4.537
  723   2HZ   LYS  89          HZ2       LYS  89 -16.524   0.979   5.077
  724   3HZ   LYS  89          HZ3       LYS  89 -16.508   1.589   3.495
  725    HA   PRO  90           HA       PRO  90  -9.633  -3.393   7.208
  726   1HB   PRO  90          HB3       PRO  90 -10.408  -1.757   9.366
  727   2HB   PRO  90          HB2       PRO  90  -8.859  -1.708   8.525
  728   1HG   PRO  90          HG3       PRO  90 -10.834   0.294   8.537
  729   2HG   PRO  90          HG2       PRO  90  -9.416   0.222   7.479
  730   1HD   PRO  90          HD2       PRO  90 -12.242  -0.525   6.928
  731   2HD   PRO  90          HD3       PRO  90 -11.006   0.106   5.821
  732    H    LYS  91           HN       LYS  91 -11.685  -4.631   6.441
  733    HA   LYS  91           HA       LYS  91 -14.040  -4.583   7.981
  734   1HB   LYS  91          HB2       LYS  91 -12.813  -6.683   6.206
  735   2HB   LYS  91          HB3       LYS  91 -14.360  -6.915   7.008
  736   1HG   LYS  91          HG3       LYS  91 -15.193  -4.864   5.861
  737   2HG   LYS  91          HG2       LYS  91 -13.672  -4.801   4.970
  738   1HD   LYS  91          HD3       LYS  91 -14.115  -6.972   3.991
  739   2HD   LYS  91          HD2       LYS  91 -15.594  -7.126   4.943
  740   1HE   LYS  91          HE3       LYS  91 -16.478  -5.105   3.797
  741   2HE   LYS  91          HE2       LYS  91 -15.038  -5.097   2.780
  742   1HZ   LYS  91          HZ1       LYS  91 -15.719  -6.931   1.632
  743   2HZ   LYS  91          HZ2       LYS  91 -17.233  -6.257   2.004
  744   3HZ   LYS  91          HZ3       LYS  91 -16.632  -7.555   2.916
  745    H    ASP  92           HN       ASP  92 -11.284  -6.836   8.101
  746    HA   ASP  92           HA       ASP  92 -11.548  -7.121  10.940
  747   1HB   ASP  92          HB3       ASP  92 -13.308  -8.638   9.823
  748   2HB   ASP  92          HB2       ASP  92 -11.941  -9.606   9.289
  749    H    PHE  93           HN       PHE  93  -9.500  -7.190  11.598
  750    HA   PHE  93           HA       PHE  93  -7.629  -9.076  10.591
  751   1HB   PHE  93          HB2       PHE  93  -7.594  -7.242   8.806
  752   2HB   PHE  93          HB3       PHE  93  -6.871  -6.203  10.031
  753    HD1  PHE  93           HD1      PHE  93  -6.358  -9.732   8.926
  754    HD2  PHE  93           HD2      PHE  93  -4.599  -5.942   9.736
  755    HE1  PHE  93           HE1      PHE  93  -4.138 -10.650   8.394
  756    HE2  PHE  93           HE2      PHE  93  -2.380  -6.853   9.189
  757    HZ   PHE  93           HZ       PHE  93  -2.147  -9.206   8.522
  758    H    GLU  94           HN       GLU  94  -8.274  -9.112  13.029
  759    HA   GLU  94           HA       GLU  94  -7.596  -8.998  15.198
  760   1HB   GLU  94          HB2       GLU  94  -5.442  -9.601  13.866
  761   2HB   GLU  94          HB3       GLU  94  -4.940  -7.966  14.279
  762   1HG   GLU  94          HG3       GLU  94  -5.199  -8.471  16.643
  763   2HG   GLU  94          HG2       GLU  94  -5.725 -10.105  16.242
  764    H    THR  95           HN       THR  95  -5.707  -7.223  16.466
  765    HA   THR  95           HA       THR  95  -7.381  -4.857  16.643
  766    HB   THR  95           HB       THR  95  -4.895  -5.322  18.266
  767    HG1  THR  95           HG1      THR  95  -7.388  -6.668  18.509
  768   1HG2  THR  95          HG21      THR  95  -7.013  -3.489  18.432
  769   2HG2  THR  95          HG22      THR  95  -5.713  -3.753  19.592
  770   3HG2  THR  95          HG23      THR  95  -7.233  -4.632  19.760
  771    H    SER  96           HN       SER  96  -5.945  -5.195  14.270
  772    HA   SER  96           HA       SER  96  -3.602  -3.533  14.249
  773   1HB   SER  96          HB3       SER  96  -5.221  -4.516  11.892
  774   2HB   SER  96          HB2       SER  96  -3.567  -3.902  11.860
  775    HG   SER  96           HG       SER  96  -4.535  -6.374  12.611
  776    H    GLU  97           HN       GLU  97  -6.477  -2.571  14.936
  777    HA   GLU  97           HA       GLU  97  -7.089  -0.535  13.050
  778   1HB   GLU  97          HB2       GLU  97  -7.847  -0.615  15.975
  779   2HB   GLU  97          HB3       GLU  97  -8.677   0.253  14.687
  780   1HG   GLU  97          HG2       GLU  97  -9.390  -1.821  13.691
  781   2HG   GLU  97          HG3       GLU  97  -8.448  -2.741  14.863
  782    H    TYR  98           HN       TYR  98  -5.110  -0.781  15.892
  783    HA   TYR  98           HA       TYR  98  -4.666   1.924  16.440
  784   1HB   TYR  98          HB2       TYR  98  -3.994  -0.083  17.830
  785   2HB   TYR  98          HB3       TYR  98  -2.609  -0.261  16.767
  786    HD1  TYR  98           HD1      TYR  98  -1.014   1.797  16.575
  787    HD2  TYR  98           HD2      TYR  98  -3.885   1.302  19.678
  788    HE1  TYR  98           HE1      TYR  98   0.205   3.426  17.961
  789    HE2  TYR  98           HE2      TYR  98  -2.662   2.913  21.074
  790    HH   TYR  98           HH       TYR  98  -0.064   3.747  21.119
  791    H    VAL  99           HN       VAL  99  -2.632  -0.310  14.588
  792    HA   VAL  99           HA       VAL  99  -0.945   1.753  13.587
  793    HB   VAL  99           HB       VAL  99  -0.042   0.082  12.054
  794   1HG1  VAL  99          HG11      VAL  99  -0.477  -0.664  14.907
  795   2HG1  VAL  99          HG12      VAL  99   0.327  -1.805  13.829
  796   3HG1  VAL  99          HG13      VAL  99   1.009  -0.197  14.080
  797   1HG2  VAL  99          HG21      VAL  99  -2.290  -1.678  13.015
  798   2HG2  VAL  99          HG22      VAL  99  -2.118  -0.996  11.397
  799   3HG2  VAL  99          HG23      VAL  99  -0.956  -2.187  11.976
  800    H    ARG 100           HN       ARG 100  -4.017   0.492  12.612
  801    HA   ARG 100           HA       ARG 100  -3.984   1.249   9.891
  802   1HB   ARG 100          HB3       ARG 100  -5.663  -0.255  11.090
  803   2HB   ARG 100          HB2       ARG 100  -6.414   1.225  11.670
  804   1HG   ARG 100          HG3       ARG 100  -7.612   0.452   9.752
  805   2HG   ARG 100          HG2       ARG 100  -6.757   1.936   9.335
  806   1HD   ARG 100          HD2       ARG 100  -6.364   0.593   7.495
  807   2HD   ARG 100          HD3       ARG 100  -4.909   0.368   8.460
  808    HE   ARG 100           HE       ARG 100  -6.872  -1.608   7.793
  809   1HH1  ARG 100          HH12      ARG 100  -4.317  -1.588  10.692
  810   2HH1  ARG 100          HH11      ARG 100  -3.534  -2.101   9.231
  811   1HH2  ARG 100          HH21      ARG 100  -5.398  -4.017   8.459
  812   2HH2  ARG 100          HH22      ARG 100  -6.465  -3.825   9.830
  813    H    LYS 101           HN       LYS 101  -4.715   2.966  12.863
  814    HA   LYS 101           HA       LYS 101  -5.837   5.285  11.683
  815   1HB   LYS 101          HB3       LYS 101  -5.523   4.416  14.236
  816   2HB   LYS 101          HB2       LYS 101  -4.257   5.634  14.143
  817   1HG   LYS 101          HG2       LYS 101  -6.052   6.840  14.908
  818   2HG   LYS 101          HG3       LYS 101  -6.093   7.159  13.183
  819   1HD   LYS 101          HD2       LYS 101  -7.752   5.015  14.505
  820   2HD   LYS 101          HD3       LYS 101  -8.322   6.667  14.249
  821   1HE   LYS 101          HE3       LYS 101  -8.095   6.441  11.874
  822   2HE   LYS 101          HE2       LYS 101  -7.338   4.859  12.055
  823   1HZ   LYS 101          HZ1       LYS 101 -10.160   5.612  12.433
  824   2HZ   LYS 101          HZ2       LYS 101  -9.531   4.250  13.227
  825   3HZ   LYS 101          HZ3       LYS 101  -9.493   4.332  11.536
  826    H    ALA 102           HN       ALA 102  -2.622   4.132  12.207
  827    HA   ALA 102           HA       ALA 102  -1.387   6.657  11.466
  828   1HB   ALA 102          HB1       ALA 102   0.013   5.813  13.010
  829   2HB   ALA 102          HB2       ALA 102  -0.507   4.152  12.724
  830   3HB   ALA 102          HB3       ALA 102   0.669   4.906  11.648
  831    H    TRP 103           HN       TRP 103  -2.879   4.368   9.746
  832    HA   TRP 103           HA       TRP 103  -0.867   4.069   7.649
  833   1HB   TRP 103          HB3       TRP 103  -3.563   2.874   8.068
  834   2HB   TRP 103          HB2       TRP 103  -3.073   3.160   6.402
  835    HD1  TRP 103           HD1      TRP 103  -1.879   1.203   9.513
  836    HE1  TRP 103           HE1      TRP 103  -0.472  -0.803   8.714
  837    HE3  TRP 103           HE3      TRP 103  -1.794   2.207   4.495
  838    HZ2  TRP 103           HZ2      TRP 103   0.555  -1.806   6.293
  839    HZ3  TRP 103           HZ3      TRP 103  -0.561   0.661   3.019
  840    HH2  TRP 103           HH2      TRP 103   0.583  -1.287   3.881
  841    H    LEU 104           HN       LEU 104  -3.980   5.661   8.195
  842    HA   LEU 104           HA       LEU 104  -3.967   6.963   5.668
  843   1HB   LEU 104          HB3       LEU 104  -5.642   8.507   6.742
  844   2HB   LEU 104          HB2       LEU 104  -6.090   6.817   6.651
  845    HG   LEU 104           HG       LEU 104  -5.081   6.833   9.130
  846   1HD1  LEU 104          HD21      LEU 104  -4.844   8.818  10.096
  847   2HD1  LEU 104          HD22      LEU 104  -4.979   9.531   8.491
  848   3HD1  LEU 104          HD23      LEU 104  -6.413   9.368   9.511
  849   1HD2  LEU 104          HD11      LEU 104  -7.834   7.621   8.209
  850   2HD2  LEU 104          HD12      LEU 104  -7.255   6.037   8.729
  851   3HD2  LEU 104          HD13      LEU 104  -7.443   7.332   9.906
  852    H    ARG 105           HN       ARG 105  -2.566   7.578   8.725
  853    HA   ARG 105           HA       ARG 105  -2.015  10.339   8.363
  854   1HB   ARG 105          HB3       ARG 105  -1.728   9.273  10.587
  855   2HB   ARG 105          HB2       ARG 105  -0.339   8.385   9.962
  856   1HG   ARG 105          HG3       ARG 105   0.752  10.540   9.439
  857   2HG   ARG 105          HG2       ARG 105  -0.597  11.379  10.200
  858   1HD   ARG 105          HD3       ARG 105  -0.066  10.263  12.325
  859   2HD   ARG 105          HD2       ARG 105   1.296   9.455  11.544
  860    HE   ARG 105           HE       ARG 105   1.234  12.128  12.533
  861   1HH1  ARG 105          HH12      ARG 105   3.853  10.237  10.932
  862   2HH1  ARG 105          HH11      ARG 105   3.333  10.939   9.423
  863   1HH2  ARG 105          HH22      ARG 105   3.420  13.317  12.246
  864   2HH2  ARG 105          HH21      ARG 105   3.317  13.654  10.538
  865    H    ASP 106           HN       ASP 106  -0.152   7.430   7.611
  866    HA   ASP 106           HA       ASP 106   2.007   8.891   6.433
  867   1HB   ASP 106          HB2       ASP 106   1.252   6.005   6.544
  868   2HB   ASP 106          HB3       ASP 106   2.457   6.531   5.373
  869    H    ILE 107           HN       ILE 107  -1.060   7.904   5.411
  870    HA   ILE 107           HA       ILE 107  -0.520   7.993   2.581
  871    HB   ILE 107           HB       ILE 107  -2.911   7.485   4.301
  872   1HG1  ILE 107          HG12      ILE 107  -2.054   6.066   1.789
  873   2HG1  ILE 107          HG13      ILE 107  -1.275   5.750   3.335
  874   1HG2  ILE 107          HG21      ILE 107  -3.708   9.169   2.672
  875   2HG2  ILE 107          HG22      ILE 107  -3.194   8.100   1.365
  876   3HG2  ILE 107          HG23      ILE 107  -4.469   7.590   2.471
  877   1HD1  ILE 107          HD11      ILE 107  -4.230   5.469   2.899
  878   2HD1  ILE 107          HD12      ILE 107  -3.079   4.151   2.672
  879   3HD1  ILE 107          HD13      ILE 107  -3.269   4.894   4.260
  880    H    ALA 108           HN       ALA 108  -2.094  10.025   5.008
  881    HA   ALA 108           HA       ALA 108  -2.898  12.089   3.255
  882   1HB   ALA 108          HB1       ALA 108  -2.332  12.391   6.191
  883   2HB   ALA 108          HB2       ALA 108  -3.485  13.290   5.201
  884   3HB   ALA 108          HB3       ALA 108  -3.774  11.591   5.570
  885    H    GLU 109           HN       GLU 109   0.144  11.228   4.514
  886    HA   GLU 109           HA       GLU 109   1.427  13.378   3.145
  887   1HB   GLU 109          HB3       GLU 109   2.707  14.091   5.279
  888   2HB   GLU 109          HB2       GLU 109   1.107  14.757   4.987
  889   1HG   GLU 109          HG3       GLU 109   0.134  13.204   6.556
  890   2HG   GLU 109          HG2       GLU 109   1.701  12.432   6.804
  891    H    GLU 110           HN       GLU 110   2.046  11.332   2.193
  892    HA   GLU 110           HA       GLU 110   3.738   9.510   3.549
  893   1HB   GLU 110          HB2       GLU 110   4.263   8.978   0.978
  894   2HB   GLU 110          HB3       GLU 110   2.873   8.366   1.844
  895   1HG   GLU 110          HG2       GLU 110   2.139   9.133  -0.277
  896   2HG   GLU 110          HG3       GLU 110   1.523  10.224   0.956
  897    H    GLN 111           HN       GLN 111   5.857   8.971   2.056
  898    HA   GLN 111           HA       GLN 111   7.745  10.954   2.799
  899   1HB   GLN 111          HB2       GLN 111   7.808   8.244   1.681
  900   2HB   GLN 111          HB3       GLN 111   9.199   9.248   1.303
  901   1HG   GLN 111          HG2       GLN 111   9.713   9.550   3.579
  902   2HG   GLN 111          HG3       GLN 111   8.161   8.899   4.095
  903   1HE2  GLN 111          HE21      GLN 111  11.385   8.210   3.189
  904   2HE2  GLN 111          HE22      GLN 111  11.322   6.508   3.507
  905    H    GLU 112           HN       GLU 112   6.395  12.504   1.323
  906    HA   GLU 112           HA       GLU 112   6.993  12.522  -1.473
  907   1HB   GLU 112          HB3       GLU 112   5.894  14.688  -1.470
  908   2HB   GLU 112          HB2       GLU 112   4.974  13.547  -0.498
  909   1HG   GLU 112          HG3       GLU 112   6.066  14.510   1.529
  910   2HG   GLU 112          HG2       GLU 112   6.764  15.751   0.488
  911    H    LYS 113           HN       LYS 113   8.621  13.616   1.361
  912    HA   LYS 113           HA       LYS 113  10.202  15.667   0.186
  913   1HB   LYS 113          HB2       LYS 113  10.980  13.969   2.562
  914   2HB   LYS 113          HB3       LYS 113  11.522  15.597   2.185
  915   1HG   LYS 113          HG2       LYS 113   8.827  14.729   3.173
  916   2HG   LYS 113          HG3       LYS 113   9.994  15.798   3.954
  917   1HD   LYS 113          HD3       LYS 113   9.658  17.469   2.232
  918   2HD   LYS 113          HD2       LYS 113   8.551  16.387   1.381
  919   1HE   LYS 113          HE3       LYS 113   7.036  16.423   3.273
  920   2HE   LYS 113          HE2       LYS 113   8.145  17.469   4.159
  921   1HZ   LYS 113          HZ1       LYS 113   7.521  19.266   2.994
  922   2HZ   LYS 113          HZ2       LYS 113   6.108  18.369   2.709
  923   3HZ   LYS 113          HZ3       LYS 113   7.335  18.418   1.537
  924    H    TYR 114           HN       TYR 114  11.027  12.346   1.171
  925    HA   TYR 114           HA       TYR 114  12.723  10.935   0.598
  926   1HB   TYR 114          HB3       TYR 114  11.094  11.185  -1.495
  927   2HB   TYR 114          HB2       TYR 114  12.534  11.868  -2.236
  928    HD1  TYR 114           HD1      TYR 114  14.736  10.353  -1.857
  929    HD2  TYR 114           HD2      TYR 114  10.726   8.929  -1.783
  930    HE1  TYR 114           HE1      TYR 114  15.536   8.087  -2.373
  931    HE2  TYR 114           HE2      TYR 114  11.521   6.665  -2.320
  932    HH   TYR 114           HH       TYR 114  14.889   6.039  -3.130
  933    H    ALA 115           HN       ALA 115  13.800  13.130   1.665
  934    HA   ALA 115           HA       ALA 115  16.353  13.363   0.307
  935   1HB   ALA 115          HB1       ALA 115  14.686  15.805   0.913
  936   2HB   ALA 115          HB2       ALA 115  16.372  15.821   0.397
  937   3HB   ALA 115          HB3       ALA 115  15.120  15.209  -0.690
  938    H    ALA 116           HN       ALA 116  17.784  12.944   1.864
  939    HA   ALA 116           HA       ALA 116  18.747  12.708   3.925
  940   1HB   ALA 116          HB1       ALA 116  17.719  15.286   4.916
  941   2HB   ALA 116          HB2       ALA 116  19.377  14.699   4.788
  942   3HB   ALA 116          HB3       ALA 116  18.557  15.349   3.367
  943    H    GLU 117           HN       GLU 117  16.738  11.179   3.974
  944    HA   GLU 117           HA       GLU 117  14.678  11.853   5.850
  945   1HB   GLU 117          HB3       GLU 117  15.396   9.155   4.705
  946   2HB   GLU 117          HB2       GLU 117  13.859   9.625   5.423
  947   1HG   GLU 117          HG3       GLU 117  13.468  11.194   3.614
  948   2HG   GLU 117          HG2       GLU 117  15.038  10.802   2.914
  949    H    ARG 118           HN       ARG 118  15.558  12.267   7.813
  950    HA   ARG 118           HA       ARG 118  17.483  10.594   9.102
  951   1HB   ARG 118          HB3       ARG 118  17.112  13.055   9.516
  952   2HB   ARG 118          HB2       ARG 118  15.644  12.608  10.378
  953   1HG   ARG 118          HG3       ARG 118  17.022  11.210  11.900
  954   2HG   ARG 118          HG2       ARG 118  18.464  11.825  11.091
  955   1HD   ARG 118          HD2       ARG 118  18.044  13.047  13.133
  956   2HD   ARG 118          HD3       ARG 118  17.843  14.102  11.733
  957    HE   ARG 118           HE       ARG 118  15.414  12.844  12.715
  958   1HH1  ARG 118          HH11      ARG 118  17.032  15.744  12.006
  959   2HH1  ARG 118          HH12      ARG 118  16.068  16.755  13.040
  960   1HH2  ARG 118          HH21      ARG 118  13.706  14.847  13.187
  961   2HH2  ARG 118          HH22      ARG 118  14.434  14.864  14.761
  962    H    ASP 119           HN       ASP 119  14.025  11.219   9.632
  963    HA   ASP 119           HA       ASP 119  13.879   8.767  11.243
  964   1HB   ASP 119          HB3       ASP 119  11.914  11.072  11.100
  965   2HB   ASP 119          HB2       ASP 119  11.739   9.640  12.103
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1   9.530 -11.181  11.632
    2   2H    MET   1          HT2       MET   1   8.427 -10.086  12.363
    3   3H    MET   1          HT3       MET   1   8.537 -11.709  12.921
    4    HA   MET   1           HA       MET   1  10.429  -9.497  13.259
    5   1HB   MET   1          HB3       MET   1   8.760 -11.302  14.948
    6   2HB   MET   1          HB2       MET   1  10.294 -10.756  15.607
    7   1HG   MET   1          HG3       MET   1   8.524  -9.308  16.355
    8   2HG   MET   1          HG2       MET   1   9.600  -8.428  15.277
    9   1HE   MET   1          HE1       MET   1   5.302  -9.776  14.312
   10   2HE   MET   1          HE2       MET   1   6.611 -10.950  14.432
   11   3HE   MET   1          HE3       MET   1   6.129 -10.009  15.848
   12    H    GLY   2           HN       GLY   2  12.562  -9.892  13.550
   13   1HA   GLY   2          HA1       GLY   2  14.529 -11.077  13.761
   14   2HA   GLY   2          HA2       GLY   2  13.580 -12.527  14.065
   15    H    ASP   3           HN       ASP   3  14.225 -14.017  12.672
   16    HA   ASP   3           HA       ASP   3  15.246 -13.390  10.085
   17   1HB   ASP   3          HB2       ASP   3  14.436 -16.050  11.299
   18   2HB   ASP   3          HB3       ASP   3  15.161 -15.890   9.702
   19    H    THR   4           HN       THR   4  12.147 -14.288  11.373
   20    HA   THR   4           HA       THR   4  10.955 -14.847   8.823
   21    HB   THR   4           HB       THR   4   8.896 -14.463  10.593
   22    HG1  THR   4           HG1      THR   4   9.966 -14.167  12.428
   23   1HG2  THR   4          HG21      THR   4   9.989 -17.054  11.046
   24   2HG2  THR   4          HG22      THR   4  10.119 -16.623   9.337
   25   3HG2  THR   4          HG23      THR   4   8.553 -16.568  10.146
   26    H    GLY   5           HN       GLY   5  10.947 -13.133   7.458
   27   1HA   GLY   5          HA1       GLY   5   9.407 -11.342   6.800
   28   2HA   GLY   5          HA2       GLY   5   9.517 -10.741   8.446
   29    H    LYS   6           HN       LYS   6  12.235 -10.761   8.859
   30    HA   LYS   6           HA       LYS   6  14.173  -9.632   8.501
   31   1HB   LYS   6          HB3       LYS   6  13.133  -9.553   5.701
   32   2HB   LYS   6          HB2       LYS   6  14.475  -8.512   6.156
   33   1HG   LYS   6          HG3       LYS   6  15.359 -10.523   5.204
   34   2HG   LYS   6          HG2       LYS   6  15.727 -10.494   6.928
   35   1HD   LYS   6          HD3       LYS   6  13.882 -12.046   7.356
   36   2HD   LYS   6          HD2       LYS   6  13.466 -12.026   5.639
   37   1HE   LYS   6          HE2       LYS   6  15.686 -12.908   5.109
   38   2HE   LYS   6          HE3       LYS   6  16.023 -13.050   6.833
   39   1HZ   LYS   6          HZ1       LYS   6  13.883 -14.431   5.327
   40   2HZ   LYS   6          HZ2       LYS   6  14.097 -14.538   7.000
   41   3HZ   LYS   6          HZ3       LYS   6  15.298 -15.140   5.968
   42    H    LEU   7           HN       LEU   7  11.179  -8.134   7.509
   43    HA   LEU   7           HA       LEU   7  10.278  -6.084   7.856
   44   1HB   LEU   7          HB2       LEU   7  11.117  -6.673  10.169
   45   2HB   LEU   7          HB3       LEU   7  12.483  -5.623   9.846
   46    HG   LEU   7           HG       LEU   7  10.870  -3.718   9.520
   47   1HD1  LEU   7          HD11      LEU   7   8.600  -4.142  10.620
   48   2HD1  LEU   7          HD12      LEU   7   8.813  -4.681   8.949
   49   3HD1  LEU   7          HD13      LEU   7   8.915  -5.840  10.274
   50   1HD2  LEU   7          HD21      LEU   7  10.109  -4.437  12.200
   51   2HD2  LEU   7          HD22      LEU   7  11.760  -4.967  11.870
   52   3HD2  LEU   7          HD23      LEU   7  11.322  -3.281  11.638
   53    H    GLY   8           HN       GLY   8  11.882  -6.233   5.662
   54   1HA   GLY   8          HA2       GLY   8  13.741  -4.023   5.648
   55   2HA   GLY   8          HA1       GLY   8  13.276  -5.013   4.269
   56    H    ARG   9           HN       ARG   9  10.519  -4.138   5.770
   57    HA   ARG   9           HA       ARG   9   9.917  -2.154   3.740
   58   1HB   ARG   9          HB2       ARG   9   8.193  -3.412   5.884
   59   2HB   ARG   9          HB3       ARG   9   7.612  -2.290   4.663
   60   1HG   ARG   9          HG3       ARG   9   7.002  -4.315   3.773
   61   2HG   ARG   9          HG2       ARG   9   8.553  -4.040   2.984
   62   1HD   ARG   9          HD3       ARG   9   9.596  -5.431   4.825
   63   2HD   ARG   9          HD2       ARG   9   7.956  -5.873   5.290
   64    HE   ARG   9           HE       ARG   9   8.263  -6.359   2.543
   65   1HH1  ARG   9          HH12      ARG   9   8.402  -8.563   5.459
   66   2HH1  ARG   9          HH11      ARG   9  10.120  -8.571   5.180
   67   1HH2  ARG   9          HH22      ARG   9   9.732  -8.703   1.980
   68   2HH2  ARG   9          HH21      ARG   9   8.369  -9.520   2.680
   69    H    ILE  10           HN       ILE  10  11.562  -0.772   4.734
   70    HA   ILE  10           HA       ILE  10  11.904   0.417   7.014
   71    HB   ILE  10           HB       ILE  10  13.141   1.151   5.167
   72   1HG1  ILE  10          HG13      ILE  10  11.497   3.545   6.009
   73   2HG1  ILE  10          HG12      ILE  10  12.781   2.818   6.975
   74   1HG2  ILE  10          HG21      ILE  10  12.334   1.684   3.153
   75   2HG2  ILE  10          HG22      ILE  10  10.783   1.108   3.762
   76   3HG2  ILE  10          HG23      ILE  10  11.175   2.830   3.821
   77   1HD1  ILE  10          HD11      ILE  10  14.364   3.232   5.107
   78   2HD1  ILE  10          HD12      ILE  10  13.097   4.139   4.279
   79   3HD1  ILE  10          HD13      ILE  10  13.718   4.707   5.825
   80    H    ILE  11           HN       ILE  11   9.164   1.462   4.972
   81    HA   ILE  11           HA       ILE  11   8.239   3.256   7.035
   82    HB   ILE  11           HB       ILE  11   7.120   2.501   4.338
   83   1HG1  ILE  11          HG13      ILE  11   8.312   5.016   5.506
   84   2HG1  ILE  11          HG12      ILE  11   8.970   3.995   4.227
   85   1HG2  ILE  11          HG21      ILE  11   5.621   3.429   6.551
   86   2HG2  ILE  11          HG22      ILE  11   5.754   4.753   5.391
   87   3HG2  ILE  11          HG23      ILE  11   5.083   3.188   4.885
   88   1HD1  ILE  11          HD11      ILE  11   6.397   4.788   3.427
   89   2HD1  ILE  11          HD12      ILE  11   7.238   6.223   4.012
   90   3HD1  ILE  11          HD13      ILE  11   7.953   5.245   2.732
   91    H    ARG  12           HN       ARG  12   6.236   0.872   5.323
   92    HA   ARG  12           HA       ARG  12   5.784  -0.662   7.703
   93   1HB   ARG  12          HB2       ARG  12   4.298   1.650   7.501
   94   2HB   ARG  12          HB3       ARG  12   3.235   0.451   6.777
   95   1HG   ARG  12          HG3       ARG  12   2.559   0.242   8.937
   96   2HG   ARG  12          HG2       ARG  12   3.907  -0.898   8.989
   97   1HD   ARG  12          HD3       ARG  12   4.116   0.485  10.890
   98   2HD   ARG  12          HD2       ARG  12   5.355   1.012   9.745
   99    HE   ARG  12           HE       ARG  12   2.981   2.501   9.363
  100   1HH1  ARG  12          HH12      ARG  12   5.948   2.573  11.458
  101   2HH1  ARG  12          HH11      ARG  12   6.000   4.118  10.653
  102   1HH2  ARG  12          HH21      ARG  12   3.156   4.850   9.976
  103   2HH2  ARG  12          HH22      ARG  12   3.118   4.739  11.715
  104    H    HIS  13           HN       HIS  13   3.831  -2.170   7.279
  105    HA   HIS  13           HA       HIS  13   3.150  -2.638   4.551
  106   1HB   HIS  13          HB2       HIS  13   4.166  -4.714   4.184
  107   2HB   HIS  13          HB3       HIS  13   5.469  -3.730   4.831
  108    HD1  HIS  13           HD1      HIS  13   5.723  -4.134   7.604
  109    HD2  HIS  13           HD2      HIS  13   3.955  -7.137   5.325
  110    HE1  HIS  13           HE1      HIS  13   5.850  -6.226   8.976
  111    HE2  HIS  13           HE2      HIS  13   4.598  -7.959   7.668
  112    H    ASP  14           HN       ASP  14   1.254  -3.767   4.425
  113    HA   ASP  14           HA       ASP  14   0.333  -5.170   6.819
  114   1HB   ASP  14          HB2       ASP  14  -0.302  -2.587   6.693
  115   2HB   ASP  14          HB3       ASP  14  -1.583  -3.202   5.650
  116    H    ALA  15           HN       ALA  15  -2.304  -5.603   6.133
  117    HA   ALA  15           HA       ALA  15  -2.421  -6.546   3.385
  118   1HB   ALA  15          HB1       ALA  15  -1.631  -8.578   3.921
  119   2HB   ALA  15          HB2       ALA  15  -1.873  -8.317   5.644
  120   3HB   ALA  15          HB3       ALA  15  -3.223  -8.844   4.629
  121    H    PHE  16           HN       PHE  16  -4.477  -6.570   2.653
  122    HA   PHE  16           HA       PHE  16  -6.677  -6.411   4.588
  123   1HB   PHE  16          HB2       PHE  16  -6.170  -4.450   2.336
  124   2HB   PHE  16          HB3       PHE  16  -7.657  -4.532   3.273
  125    HD1  PHE  16           HD1      PHE  16  -7.184  -4.454   5.956
  126    HD2  PHE  16           HD2      PHE  16  -4.650  -2.887   2.906
  127    HE1  PHE  16           HE1      PHE  16  -6.195  -2.901   7.600
  128    HE2  PHE  16           HE2      PHE  16  -3.671  -1.338   4.535
  129    HZ   PHE  16           HZ       PHE  16  -4.437  -1.322   6.867
  130    H    GLN  17           HN       GLN  17  -8.830  -6.288   3.185
  131    HA   GLN  17           HA       GLN  17  -8.692  -7.832   0.732
  132   1HB   GLN  17          HB3       GLN  17  -8.800  -9.504   2.685
  133   2HB   GLN  17          HB2       GLN  17 -10.388  -8.835   3.028
  134   1HG   GLN  17          HG3       GLN  17 -11.155  -9.497   0.813
  135   2HG   GLN  17          HG2       GLN  17  -9.576 -10.210   0.478
  136   1HE2  GLN  17          HE21      GLN  17 -10.654 -10.437   3.704
  137   2HE2  GLN  17          HE22      GLN  17 -11.310 -12.035   3.661
  138    H    VAL  18           HN       VAL  18  -9.250  -5.546   0.488
  139    HA   VAL  18           HA       VAL  18 -12.020  -4.840   1.028
  140    HB   VAL  18           HB       VAL  18 -10.346  -3.308   1.759
  141   1HG1  VAL  18          HG11      VAL  18  -9.187  -2.355  -0.648
  142   2HG1  VAL  18          HG12      VAL  18  -8.429  -3.076   0.773
  143   3HG1  VAL  18          HG13      VAL  18  -8.989  -4.103  -0.546
  144   1HG2  VAL  18          HG21      VAL  18 -10.930  -1.419  -0.202
  145   2HG2  VAL  18          HG22      VAL  18 -12.342  -2.478  -0.123
  146   3HG2  VAL  18          HG23      VAL  18 -11.768  -1.676   1.331
  147    H    TRP  19           HN       TRP  19 -11.332  -2.976  -1.554
  148    HA   TRP  19           HA       TRP  19 -12.090  -5.012  -3.524
  149   1HB   TRP  19          HB2       TRP  19 -13.457  -2.347  -3.116
  150   2HB   TRP  19          HB3       TRP  19 -13.833  -3.530  -4.363
  151    HD1  TRP  19           HD1      TRP  19 -15.041  -5.844  -3.495
  152    HE1  TRP  19           HE1      TRP  19 -16.544  -6.290  -1.457
  153    HE3  TRP  19           HE3      TRP  19 -13.834  -1.744  -0.630
  154    HZ2  TRP  19           HZ2      TRP  19 -17.174  -5.063   0.982
  155    HZ3  TRP  19           HZ3      TRP  19 -14.989  -1.448   1.514
  156    HH2  TRP  19           HH2      TRP  19 -16.586  -3.081   2.312
  157    H    GLU  20           HN       GLU  20 -11.779  -4.438  -5.682
  158    HA   GLU  20           HA       GLU  20 -10.120  -2.095  -6.286
  159   1HB   GLU  20          HB2       GLU  20  -8.499  -3.921  -5.951
  160   2HB   GLU  20          HB3       GLU  20  -9.414  -4.945  -7.041
  161   1HG   GLU  20          HG3       GLU  20  -8.406  -2.391  -8.125
  162   2HG   GLU  20          HG2       GLU  20  -7.220  -3.659  -7.795
  163    H    GLY  21           HN       GLY  21 -10.705  -1.149  -8.126
  164   1HA   GLY  21          HA2       GLY  21 -11.853  -0.734 -10.078
  165   2HA   GLY  21          HA1       GLY  21 -11.857  -2.470 -10.357
  166    H    ASP  22           HN       ASP  22 -13.083  -1.528  -7.381
  167    HA   ASP  22           HA       ASP  22 -15.117  -1.588  -6.389
  168   1HB   ASP  22          HB2       ASP  22 -15.552   0.177  -8.382
  169   2HB   ASP  22          HB3       ASP  22 -16.670  -1.096  -8.861
  170    H    GLU  23           HN       GLU  23 -13.883  -3.824  -7.801
  171    HA   GLU  23           HA       GLU  23 -16.108  -5.508  -8.641
  172   1HB   GLU  23          HB2       GLU  23 -13.153  -6.142  -8.447
  173   2HB   GLU  23          HB3       GLU  23 -14.378  -7.096  -9.265
  174   1HG   GLU  23          HG3       GLU  23 -14.635  -5.435 -10.961
  175   2HG   GLU  23          HG2       GLU  23 -13.597  -4.308 -10.079
  176    HA   PRO  24           HA       PRO  24 -16.529  -8.020  -4.975
  177   1HB   PRO  24          HB2       PRO  24 -15.125 -10.382  -5.512
  178   2HB   PRO  24          HB3       PRO  24 -16.826 -10.084  -5.862
  179   1HG   PRO  24          HG3       PRO  24 -14.463  -9.914  -7.679
  180   2HG   PRO  24          HG2       PRO  24 -16.118 -10.461  -8.029
  181   1HD   PRO  24          HD3       PRO  24 -15.264  -8.057  -8.822
  182   2HD   PRO  24          HD2       PRO  24 -16.927  -8.287  -8.239
  183    HA   PRO  25           HA       PRO  25 -13.099  -7.281  -2.324
  184   1HB   PRO  25          HB2       PRO  25 -13.381  -9.468  -0.627
  185   2HB   PRO  25          HB3       PRO  25 -14.161  -7.906  -0.426
  186   1HG   PRO  25          HG3       PRO  25 -15.219 -10.430  -1.601
  187   2HG   PRO  25          HG2       PRO  25 -16.060  -9.210  -0.627
  188   1HD   PRO  25          HD3       PRO  25 -16.414  -9.361  -3.274
  189   2HD   PRO  25          HD2       PRO  25 -16.356  -7.793  -2.444
  190    H    LYS  26           HN       LYS  26 -11.055  -7.561  -2.711
  191    HA   LYS  26           HA       LYS  26 -10.107 -10.237  -3.508
  192   1HB   LYS  26          HB2       LYS  26 -10.348  -8.071  -5.123
  193   2HB   LYS  26          HB3       LYS  26  -8.729  -7.801  -4.503
  194   1HG   LYS  26          HG3       LYS  26  -8.018  -9.957  -5.357
  195   2HG   LYS  26          HG2       LYS  26  -9.661 -10.296  -5.904
  196   1HD   LYS  26          HD2       LYS  26  -7.959  -8.002  -6.881
  197   2HD   LYS  26          HD3       LYS  26  -8.213  -9.516  -7.751
  198   1HE   LYS  26          HE3       LYS  26 -10.627  -9.046  -7.811
  199   2HE   LYS  26          HE2       LYS  26 -10.326  -7.512  -6.994
  200   1HZ   LYS  26          HZ1       LYS  26 -10.563  -7.303  -9.418
  201   2HZ   LYS  26          HZ2       LYS  26  -9.181  -8.256  -9.624
  202   3HZ   LYS  26          HZ3       LYS  26  -9.066  -6.735  -8.875
  203    H    LEU  27           HN       LEU  27  -8.538 -11.040  -2.199
  204    HA   LEU  27           HA       LEU  27  -7.540  -9.576   0.004
  205   1HB   LEU  27          HB3       LEU  27  -7.684 -12.050  -0.104
  206   2HB   LEU  27          HB2       LEU  27  -6.387 -12.072  -1.278
  207    HG   LEU  27           HG       LEU  27  -4.857 -11.140   0.463
  208   1HD1  LEU  27          HD21      LEU  27  -7.185 -10.439   1.764
  209   2HD1  LEU  27          HD22      LEU  27  -6.601 -11.823   2.686
  210   3HD1  LEU  27          HD23      LEU  27  -5.563 -10.416   2.456
  211   1HD2  LEU  27          HD11      LEU  27  -4.402 -13.297   0.687
  212   2HD2  LEU  27          HD12      LEU  27  -5.554 -13.356   2.026
  213   3HD2  LEU  27          HD13      LEU  27  -6.084 -13.739   0.392
  214    H    ARG  28           HN       ARG  28  -5.649  -8.403   0.295
  215    HA   ARG  28           HA       ARG  28  -3.651  -8.437  -1.819
  216   1HB   ARG  28          HB2       ARG  28  -3.684  -5.993  -2.101
  217   2HB   ARG  28          HB3       ARG  28  -5.161  -6.760  -2.660
  218   1HG   ARG  28          HG3       ARG  28  -6.307  -6.082  -0.618
  219   2HG   ARG  28          HG2       ARG  28  -4.823  -5.322  -0.035
  220   1HD   ARG  28          HD2       ARG  28  -6.459  -3.735  -1.044
  221   2HD   ARG  28          HD3       ARG  28  -4.863  -3.717  -1.797
  222    HE   ARG  28           HE       ARG  28  -5.761  -4.508  -3.733
  223   1HH1  ARG  28          HH12      ARG  28  -9.121  -4.680  -1.877
  224   2HH1  ARG  28          HH11      ARG  28  -8.502  -6.295  -1.917
  225   1HH2  ARG  28          HH21      ARG  28  -7.345  -5.895  -4.945
  226   2HH2  ARG  28          HH22      ARG  28  -8.606  -4.705  -4.882
  227    H    TYR  29           HN       TYR  29  -1.648  -8.015  -1.128
  228    HA   TYR  29           HA       TYR  29  -1.348  -7.277   1.700
  229   1HB   TYR  29          HB3       TYR  29   0.416  -8.832  -0.184
  230   2HB   TYR  29          HB2       TYR  29   1.016  -8.221   1.355
  231    HD1  TYR  29           HD1      TYR  29  -2.124  -9.957   0.253
  232    HD2  TYR  29           HD2      TYR  29   1.175  -9.913   2.960
  233    HE1  TYR  29           HE1      TYR  29  -3.030 -11.932   1.409
  234    HE2  TYR  29           HE2      TYR  29   0.285 -11.889   4.092
  235    HH   TYR  29           HH       TYR  29  -2.286 -13.753   2.782
  236    H    VAL  30           HN       VAL  30  -1.307  -5.124   1.706
  237    HA   VAL  30           HA       VAL  30   0.138  -3.607  -0.256
  238    HB   VAL  30           HB       VAL  30  -1.298  -2.687   2.231
  239   1HG1  VAL  30          HG21      VAL  30  -0.046  -1.223  -0.061
  240   2HG1  VAL  30          HG22      VAL  30  -1.363  -0.510   0.876
  241   3HG1  VAL  30          HG23      VAL  30   0.148  -0.956   1.670
  242   1HG2  VAL  30          HG11      VAL  30  -3.208  -2.990   1.126
  243   2HG2  VAL  30          HG12      VAL  30  -2.611  -2.013  -0.216
  244   3HG2  VAL  30          HG13      VAL  30  -2.302  -3.751  -0.180
  245    H    PHE  31           HN       PHE  31   2.257  -3.428  -0.157
  246    HA   PHE  31           HA       PHE  31   3.561  -3.088   2.464
  247   1HB   PHE  31          HB2       PHE  31   4.896  -3.797  -0.173
  248   2HB   PHE  31          HB3       PHE  31   5.613  -3.869   1.435
  249    HD1  PHE  31           HD1      PHE  31   4.248  -5.417   3.107
  250    HD2  PHE  31           HD2      PHE  31   4.273  -5.761  -1.126
  251    HE1  PHE  31           HE1      PHE  31   3.635  -7.787   3.322
  252    HE2  PHE  31           HE2      PHE  31   3.663  -8.139  -0.932
  253    HZ   PHE  31           HZ       PHE  31   3.326  -9.153   1.284
  254    H    LEU  32           HN       LEU  32   4.693  -1.163   2.813
  255    HA   LEU  32           HA       LEU  32   4.860   0.667   0.527
  256   1HB   LEU  32          HB3       LEU  32   3.100   1.640   1.441
  257   2HB   LEU  32          HB2       LEU  32   3.384   0.956   3.018
  258    HG   LEU  32           HG       LEU  32   4.964   2.707   3.538
  259   1HD1  LEU  32          HD21      LEU  32   4.119   4.093   0.986
  260   2HD1  LEU  32          HD22      LEU  32   5.400   4.539   2.115
  261   3HD1  LEU  32          HD23      LEU  32   5.594   3.118   1.101
  262   1HD2  LEU  32          HD11      LEU  32   2.150   3.014   3.152
  263   2HD2  LEU  32          HD12      LEU  32   3.193   3.742   4.381
  264   3HD2  LEU  32          HD13      LEU  32   2.958   4.544   2.831
  265    H    PHE  33           HN       PHE  33   6.651   1.614   0.267
  266    HA   PHE  33           HA       PHE  33   8.713   1.550   2.390
  267   1HB   PHE  33          HB2       PHE  33   9.344   1.464  -0.553
  268   2HB   PHE  33          HB3       PHE  33  10.378   1.047   0.804
  269    HD1  PHE  33           HD1      PHE  33   9.274  -0.962   2.324
  270    HD2  PHE  33           HD2      PHE  33   8.718  -0.282  -1.860
  271    HE1  PHE  33           HE1      PHE  33   8.754  -3.352   1.995
  272    HE2  PHE  33           HE2      PHE  33   8.084  -2.629  -2.126
  273    HZ   PHE  33           HZ       PHE  33   8.133  -4.148  -0.229
  274    H    ARG  34           HN       ARG  34  10.602   3.180   1.734
  275    HA   ARG  34           HA       ARG  34   9.276   5.741   1.241
  276   1HB   ARG  34          HB2       ARG  34  10.916   5.442   3.148
  277   2HB   ARG  34          HB3       ARG  34  12.184   5.308   1.938
  278   1HG   ARG  34          HG2       ARG  34  11.414   7.556   1.079
  279   2HG   ARG  34          HG3       ARG  34  10.477   7.678   2.569
  280   1HD   ARG  34          HD3       ARG  34  12.371   7.776   3.906
  281   2HD   ARG  34          HD2       ARG  34  13.417   7.047   2.683
  282    HE   ARG  34           HE       ARG  34  12.470   9.438   1.636
  283   1HH1  ARG  34          HH12      ARG  34  14.559   9.624   4.837
  284   2HH1  ARG  34          HH11      ARG  34  15.563   8.791   3.687
  285   1HH2  ARG  34          HH21      ARG  34  14.291  11.028   1.357
  286   2HH2  ARG  34          HH22      ARG  34  14.696  11.663   2.928
  287    H    ASN  35           HN       ASN  35   8.927   4.766  -0.960
  288    HA   ASN  35           HA       ASN  35  10.562   6.100  -2.867
  289   1HB   ASN  35          HB3       ASN  35  12.109   4.284  -2.608
  290   2HB   ASN  35          HB2       ASN  35  10.816   3.088  -2.664
  291   1HD2  ASN  35          HD21      ASN  35  10.938   1.977  -4.467
  292   2HD2  ASN  35          HD22      ASN  35  11.546   2.562  -5.980
  293    H    LYS  36           HN       LYS  36   8.351   3.458  -2.247
  294    HA   LYS  36           HA       LYS  36   6.249   4.594  -3.742
  295   1HB   LYS  36          HB3       LYS  36   6.129   2.986  -5.589
  296   2HB   LYS  36          HB2       LYS  36   7.625   3.903  -5.647
  297   1HG   LYS  36          HG2       LYS  36   8.916   2.098  -5.007
  298   2HG   LYS  36          HG3       LYS  36   7.533   1.212  -4.361
  299   1HD   LYS  36          HD3       LYS  36   8.255   0.239  -6.474
  300   2HD   LYS  36          HD2       LYS  36   6.642   0.939  -6.637
  301   1HE   LYS  36          HE2       LYS  36   7.580   2.922  -7.675
  302   2HE   LYS  36          HE3       LYS  36   9.207   2.250  -7.524
  303   1HZ   LYS  36          HZ1       LYS  36   7.162   0.641  -8.884
  304   2HZ   LYS  36          HZ2       LYS  36   8.822   0.718  -9.164
  305   3HZ   LYS  36          HZ3       LYS  36   7.836   1.966  -9.731
  306    H    ILE  37           HN       ILE  37   4.550   2.715  -4.189
  307    HA   ILE  37           HA       ILE  37   4.491   1.110  -1.733
  308    HB   ILE  37           HB       ILE  37   2.192   2.156  -3.410
  309   1HG1  ILE  37          HG12      ILE  37   3.019   2.766  -0.572
  310   2HG1  ILE  37          HG13      ILE  37   3.329   3.814  -1.957
  311   1HG2  ILE  37          HG21      ILE  37   1.059   1.192  -1.141
  312   2HG2  ILE  37          HG22      ILE  37   1.161   0.299  -2.659
  313   3HG2  ILE  37          HG23      ILE  37   2.362   0.031  -1.393
  314   1HD1  ILE  37          HD11      ILE  37   1.353   4.783  -1.541
  315   2HD1  ILE  37          HD12      ILE  37   0.580   3.271  -2.016
  316   3HD1  ILE  37          HD13      ILE  37   0.968   3.569  -0.322
  317    H    MET  38           HN       MET  38   4.018  -1.080  -1.884
  318    HA   MET  38           HA       MET  38   3.645  -2.240  -4.569
  319   1HB   MET  38          HB2       MET  38   5.613  -3.119  -2.442
  320   2HB   MET  38          HB3       MET  38   5.089  -4.164  -3.754
  321   1HG   MET  38          HG2       MET  38   6.333  -1.481  -4.295
  322   2HG   MET  38          HG3       MET  38   7.289  -2.951  -4.073
  323   1HE   MET  38          HE1       MET  38   7.817  -1.491  -6.460
  324   2HE   MET  38          HE2       MET  38   8.350  -3.167  -6.562
  325   3HE   MET  38          HE3       MET  38   7.476  -2.438  -7.912
  326    H    PHE  39           HN       PHE  39   1.675  -3.063  -4.508
  327    HA   PHE  39           HA       PHE  39   0.971  -4.700  -2.169
  328   1HB   PHE  39          HB2       PHE  39  -1.298  -3.993  -2.296
  329   2HB   PHE  39          HB3       PHE  39  -0.299  -2.549  -2.351
  330    HD1  PHE  39           HD1      PHE  39   0.316  -1.763  -4.855
  331    HD2  PHE  39           HD2      PHE  39  -3.070  -4.086  -3.722
  332    HE1  PHE  39           HE1      PHE  39  -0.865  -1.034  -6.888
  333    HE2  PHE  39           HE2      PHE  39  -4.245  -3.353  -5.762
  334    HZ   PHE  39           HZ       PHE  39  -3.129  -1.829  -7.343
  335    H    THR  40           HN       THR  40   0.573  -6.748  -2.528
  336    HA   THR  40           HA       THR  40   0.351  -7.656  -5.278
  337    HB   THR  40           HB       THR  40   0.754  -9.933  -4.132
  338    HG1  THR  40           HG1      THR  40   1.823  -8.354  -2.065
  339   1HG2  THR  40          HG21      THR  40   2.927  -7.853  -3.983
  340   2HG2  THR  40          HG22      THR  40   2.485  -8.785  -5.414
  341   3HG2  THR  40          HG23      THR  40   3.139  -9.603  -3.998
  342    H    GLU  41           HN       GLU  41  -1.509  -8.274  -6.113
  343    HA   GLU  41           HA       GLU  41  -3.873  -8.511  -4.495
  344   1HB   GLU  41          HB2       GLU  41  -3.368  -8.755  -7.456
  345   2HB   GLU  41          HB3       GLU  41  -4.958  -8.880  -6.721
  346   1HG   GLU  41          HG2       GLU  41  -3.194  -6.457  -6.480
  347   2HG   GLU  41          HG3       GLU  41  -4.439  -6.658  -7.710
  348    H    GLN  42           HN       GLN  42  -5.052 -10.291  -4.088
  349    HA   GLN  42           HA       GLN  42  -4.238 -12.883  -5.188
  350   1HB   GLN  42          HB2       GLN  42  -4.563 -12.203  -2.265
  351   2HB   GLN  42          HB3       GLN  42  -4.838 -13.839  -2.849
  352   1HG   GLN  42          HG3       GLN  42  -2.514 -13.797  -3.804
  353   2HG   GLN  42          HG2       GLN  42  -2.268 -12.263  -2.969
  354   1HE2  GLN  42          HE21      GLN  42  -0.925 -12.678  -1.384
  355   2HE2  GLN  42          HE22      GLN  42  -1.109 -13.935  -0.208
  356    H    ASP  43           HN       ASP  43  -5.980 -13.689  -6.174
  357    HA   ASP  43           HA       ASP  43  -8.610 -12.816  -5.294
  358   1HB   ASP  43          HB2       ASP  43  -7.826 -12.469  -7.702
  359   2HB   ASP  43          HB3       ASP  43  -7.960 -14.215  -7.881
  360    H    ALA  44           HN       ALA  44  -9.377 -14.114  -3.851
  361    HA   ALA  44           HA       ALA  44 -10.368 -15.891  -2.950
  362   1HB   ALA  44          HB1       ALA  44  -9.973 -18.026  -4.755
  363   2HB   ALA  44          HB2       ALA  44 -11.448 -17.099  -4.461
  364   3HB   ALA  44          HB3       ALA  44 -10.312 -16.570  -5.693
  365    H    SER  45           HN       SER  45  -7.169 -15.658  -3.408
  366    HA   SER  45           HA       SER  45  -5.314 -16.670  -2.544
  367   1HB   SER  45          HB3       SER  45  -7.294 -17.958  -0.654
  368   2HB   SER  45          HB2       SER  45  -5.564 -17.769  -0.373
  369    HG   SER  45           HG       SER  45  -7.405 -15.611  -0.739
  370    H    THR  46           HN       THR  46  -6.496 -17.989  -4.778
  371    HA   THR  46           HA       THR  46  -5.542 -20.712  -4.260
  372    HB   THR  46           HB       THR  46  -7.380 -21.490  -5.890
  373    HG1  THR  46           HG1      THR  46  -9.210 -19.756  -5.377
  374   1HG2  THR  46          HG21      THR  46  -7.599 -20.870  -3.071
  375   2HG2  THR  46          HG22      THR  46  -8.202 -22.267  -3.956
  376   3HG2  THR  46          HG23      THR  46  -9.169 -20.791  -3.865
  377    H    SER  47           HN       SER  47  -7.001 -19.650  -7.219
  378    HA   SER  47           HA       SER  47  -4.337 -19.380  -8.474
  379   1HB   SER  47          HB3       SER  47  -6.819 -20.580  -9.761
  380   2HB   SER  47          HB2       SER  47  -5.208 -20.496 -10.471
  381    HG   SER  47           HG       SER  47  -6.260 -22.258  -8.614
  382    HA   PRO  48           HA       PRO  48  -6.824 -15.441  -8.584
  383   1HB   PRO  48          HB3       PRO  48  -4.067 -14.356  -8.690
  384   2HB   PRO  48          HB2       PRO  48  -5.422 -13.921  -7.646
  385   1HG   PRO  48          HG3       PRO  48  -3.349 -15.315  -6.704
  386   2HG   PRO  48          HG2       PRO  48  -5.008 -15.606  -6.149
  387   1HD   PRO  48          HD2       PRO  48  -3.351 -17.174  -8.069
  388   2HD   PRO  48          HD3       PRO  48  -4.503 -17.747  -6.852
  389    HA   PRO  49           HA       PRO  49  -6.081 -15.157 -13.037
  390   1HB   PRO  49          HB2       PRO  49  -8.655 -15.019 -13.745
  391   2HB   PRO  49          HB3       PRO  49  -7.931 -16.548 -13.246
  392   1HG   PRO  49          HG3       PRO  49  -9.803 -14.773 -11.793
  393   2HG   PRO  49          HG2       PRO  49  -9.605 -16.534 -11.685
  394   1HD   PRO  49          HD2       PRO  49  -8.538 -14.548  -9.935
  395   2HD   PRO  49          HD3       PRO  49  -8.222 -16.294  -9.904
  396    H    SER  50           HN       SER  50  -7.292 -13.102 -10.695
  397    HA   SER  50           HA       SER  50  -7.643 -10.872 -12.573
  398   1HB   SER  50          HB2       SER  50  -8.582 -10.994  -9.714
  399   2HB   SER  50          HB3       SER  50  -9.119  -9.906 -10.997
  400    HG   SER  50           HG       SER  50 -10.111 -12.285 -10.317
  401    H    TYR  51           HN       TYR  51  -5.063 -11.882 -11.580
  402    HA   TYR  51           HA       TYR  51  -4.262  -9.720  -9.787
  403   1HB   TYR  51          HB2       TYR  51  -3.475 -11.908  -9.099
  404   2HB   TYR  51          HB3       TYR  51  -2.765 -12.194 -10.686
  405    HD1  TYR  51           HD1      TYR  51  -2.650  -9.270  -8.392
  406    HD2  TYR  51           HD2      TYR  51  -0.440 -12.281 -10.436
  407    HE1  TYR  51           HE1      TYR  51  -0.547  -8.268  -7.602
  408    HE2  TYR  51           HE2      TYR  51   1.662 -11.289  -9.633
  409    HH   TYR  51           HH       TYR  51   1.713  -8.218  -7.951
  410    H    THR  52           HN       THR  52  -3.001 -11.273 -12.724
  411    HA   THR  52           HA       THR  52  -1.936 -10.526 -14.545
  412    HB   THR  52           HB       THR  52  -3.133  -7.841 -13.853
  413    HG1  THR  52           HG1      THR  52  -4.930  -8.728 -14.373
  414   1HG2  THR  52          HG21      THR  52  -2.206  -7.068 -15.693
  415   2HG2  THR  52          HG22      THR  52  -3.072  -8.298 -16.620
  416   3HG2  THR  52          HG23      THR  52  -1.458  -8.635 -15.996
  417    H    HIS  53           HN       HIS  53  -1.595  -7.511 -12.615
  418    HA   HIS  53           HA       HIS  53   1.159  -8.187 -12.066
  419   1HB   HIS  53          HB2       HIS  53   0.531  -6.600 -14.357
  420   2HB   HIS  53          HB3       HIS  53   1.328  -5.565 -13.176
  421    HD1  HIS  53           HD1      HIS  53   3.587  -7.035 -12.111
  422    HD2  HIS  53           HD2      HIS  53   2.350  -7.656 -16.028
  423    HE1  HIS  53           HE1      HIS  53   5.543  -8.087 -13.294
  424    HE2  HIS  53           HE2      HIS  53   4.841  -8.257 -15.695
  425    H    TYR  54           HN       TYR  54  -0.520  -5.059 -12.295
  426    HA   TYR  54           HA       TYR  54  -0.709  -3.361 -10.769
  427   1HB   TYR  54          HB3       TYR  54  -1.301  -5.694  -8.927
  428   2HB   TYR  54          HB2       TYR  54  -1.606  -4.007  -8.533
  429    HD1  TYR  54           HD1      TYR  54  -2.959  -2.820 -10.703
  430    HD2  TYR  54           HD2      TYR  54  -3.187  -6.861  -9.393
  431    HE1  TYR  54           HE1      TYR  54  -5.199  -3.008 -11.700
  432    HE2  TYR  54           HE2      TYR  54  -5.406  -7.068 -10.383
  433    HH   TYR  54           HH       TYR  54  -7.346  -5.195 -10.939
  434    H    SER  55           HN       SER  55  -0.096  -4.352  -7.812
  435    HA   SER  55           HA       SER  55   1.569  -4.253  -6.317
  436   1HB   SER  55          HB2       SER  55   3.455  -4.882  -8.578
  437   2HB   SER  55          HB3       SER  55   3.692  -5.207  -6.859
  438    HG   SER  55           HG       SER  55   1.666  -6.330  -8.509
  439    H    SER  56           HN       SER  56   3.245  -2.937  -9.183
  440    HA   SER  56           HA       SER  56   4.603  -1.014  -7.683
  441   1HB   SER  56          HB3       SER  56   5.352  -1.946  -9.878
  442   2HB   SER  56          HB2       SER  56   4.130  -0.944 -10.660
  443    HG   SER  56           HG       SER  56   5.286   0.796 -10.302
  444    H    ILE  57           HN       ILE  57   3.839   0.701  -6.757
  445    HA   ILE  57           HA       ILE  57   1.815   2.336  -8.141
  446    HB   ILE  57           HB       ILE  57   2.198   1.849  -5.168
  447   1HG1  ILE  57          HG12      ILE  57   0.821   0.205  -6.428
  448   2HG1  ILE  57          HG13      ILE  57  -0.088   1.066  -5.189
  449   1HG2  ILE  57          HG21      ILE  57   0.004   3.619  -6.023
  450   2HG2  ILE  57          HG22      ILE  57   1.042   3.703  -4.595
  451   3HG2  ILE  57          HG23      ILE  57   1.630   4.292  -6.141
  452   1HD1  ILE  57          HD11      ILE  57  -0.266   1.243  -8.159
  453   2HD1  ILE  57          HD12      ILE  57  -1.548   1.095  -6.958
  454   3HD1  ILE  57          HD13      ILE  57  -0.723   2.638  -7.181
  455    H    ARG  58           HN       ARG  58   2.393   4.509  -8.372
  456    HA   ARG  58           HA       ARG  58   4.927   5.241  -7.072
  457   1HB   ARG  58          HB2       ARG  58   5.806   6.162  -8.991
  458   2HB   ARG  58          HB3       ARG  58   4.887   4.826  -9.663
  459   1HG   ARG  58          HG2       ARG  58   3.054   6.857  -9.674
  460   2HG   ARG  58          HG3       ARG  58   4.565   7.693 -10.044
  461   1HD   ARG  58          HD3       ARG  58   4.886   5.643 -11.663
  462   2HD   ARG  58          HD2       ARG  58   3.126   5.595 -11.551
  463    HE   ARG  58           HE       ARG  58   3.991   8.234 -12.118
  464   1HH1  ARG  58          HH12      ARG  58   4.661   5.346 -13.896
  465   2HH1  ARG  58          HH11      ARG  58   3.452   5.635 -15.104
  466   1HH2  ARG  58          HH21      ARG  58   4.425   8.633 -14.886
  467   2HH2  ARG  58          HH22      ARG  58   2.687   8.576 -14.716
  468    H    LEU  59           HN       LEU  59   4.764   6.810  -5.740
  469    HA   LEU  59           HA       LEU  59   2.338   8.145  -5.262
  470   1HB   LEU  59          HB2       LEU  59   5.090   8.240  -4.146
  471   2HB   LEU  59          HB3       LEU  59   3.972   9.526  -3.732
  472    HG   LEU  59           HG       LEU  59   2.393   7.806  -2.859
  473   1HD1  LEU  59          HD11      LEU  59   4.722   5.906  -3.099
  474   2HD1  LEU  59          HD12      LEU  59   3.104   5.551  -2.498
  475   3HD1  LEU  59          HD13      LEU  59   3.357   5.908  -4.212
  476   1HD2  LEU  59          HD21      LEU  59   5.023   8.507  -1.757
  477   2HD2  LEU  59          HD22      LEU  59   3.417   8.667  -1.050
  478   3HD2  LEU  59          HD23      LEU  59   4.248   7.110  -1.008
  479    H    ASP  60           HN       ASP  60   4.538   8.897  -7.666
  480    HA   ASP  60           HA       ASP  60   4.496  11.730  -7.300
  481   1HB   ASP  60          HB3       ASP  60   6.432  10.624  -8.310
  482   2HB   ASP  60          HB2       ASP  60   5.414  10.032  -9.620
  483    H    LYS  61           HN       LYS  61   2.596   9.442  -9.266
  484    HA   LYS  61           HA       LYS  61   1.171  11.814 -10.259
  485   1HB   LYS  61          HB2       LYS  61   2.141   9.455 -11.749
  486   2HB   LYS  61          HB3       LYS  61   0.592  10.142 -12.226
  487   1HG   LYS  61          HG2       LYS  61   3.207  11.623 -12.004
  488   2HG   LYS  61          HG3       LYS  61   2.417  11.132 -13.506
  489   1HD   LYS  61          HD3       LYS  61   0.554  12.610 -13.066
  490   2HD   LYS  61          HD2       LYS  61   1.193  13.003 -11.470
  491   1HE   LYS  61          HE2       LYS  61   1.683  14.821 -12.943
  492   2HE   LYS  61          HE3       LYS  61   3.190  13.990 -12.565
  493   1HZ   LYS  61          HZ1       LYS  61   2.572  14.663 -15.012
  494   2HZ   LYS  61          HZ2       LYS  61   1.742  13.189 -14.972
  495   3HZ   LYS  61          HZ3       LYS  61   3.408  13.211 -14.672
  496    H    TYR  62           HN       TYR  62   0.629   9.086  -8.323
  497    HA   TYR  62           HA       TYR  62  -2.162   8.864  -9.180
  498   1HB   TYR  62          HB3       TYR  62  -2.329   6.894  -7.981
  499   2HB   TYR  62          HB2       TYR  62  -0.614   6.867  -8.369
  500    HD1  TYR  62           HD1      TYR  62   1.020   7.581  -6.610
  501    HD2  TYR  62           HD2      TYR  62  -3.074   6.933  -5.760
  502    HE1  TYR  62           HE1      TYR  62   1.548   7.452  -4.193
  503    HE2  TYR  62           HE2      TYR  62  -2.548   6.707  -3.361
  504    HH   TYR  62           HH       TYR  62  -0.979   7.208  -1.777
  505    H    ASN  63           HN       ASN  63  -3.827   9.697  -8.052
  506    HA   ASN  63           HA       ASN  63  -3.161  11.551  -5.906
  507   1HB   ASN  63          HB2       ASN  63  -5.686  11.226  -7.572
  508   2HB   ASN  63          HB3       ASN  63  -5.511  12.393  -6.262
  509   1HD2  ASN  63          HD21      ASN  63  -5.157  14.348  -6.986
  510   2HD2  ASN  63          HD22      ASN  63  -4.407  14.740  -8.499
  511    H    ILE  64           HN       ILE  64  -3.998  11.295  -3.859
  512    HA   ILE  64           HA       ILE  64  -5.598   8.866  -3.468
  513    HB   ILE  64           HB       ILE  64  -3.131   8.590  -2.859
  514   1HG1  ILE  64          HG12      ILE  64  -5.159   8.086  -0.687
  515   2HG1  ILE  64          HG13      ILE  64  -5.026   7.116  -2.154
  516   1HG2  ILE  64          HG21      ILE  64  -3.141  10.869  -1.635
  517   2HG2  ILE  64          HG22      ILE  64  -3.846   9.955  -0.298
  518   3HG2  ILE  64          HG23      ILE  64  -2.261   9.515  -0.923
  519   1HD1  ILE  64          HD11      ILE  64  -3.881   5.970  -0.432
  520   2HD1  ILE  64          HD12      ILE  64  -2.641   6.679  -1.473
  521   3HD1  ILE  64          HD13      ILE  64  -3.040   7.440   0.064
  522    H    ARG  65           HN       ARG  65  -7.064   8.834  -1.842
  523    HA   ARG  65           HA       ARG  65  -7.515  11.201  -0.186
  524   1HB   ARG  65          HB3       ARG  65  -9.537  10.120  -2.169
  525   2HB   ARG  65          HB2       ARG  65  -9.942  11.221  -0.864
  526   1HG   ARG  65          HG2       ARG  65  -7.912  11.912  -2.946
  527   2HG   ARG  65          HG3       ARG  65  -9.639  12.204  -3.167
  528   1HD   ARG  65          HD2       ARG  65  -9.669  13.535  -1.092
  529   2HD   ARG  65          HD3       ARG  65  -7.920  13.345  -0.960
  530    HE   ARG  65           HE       ARG  65  -8.468  14.377  -3.492
  531   1HH1  ARG  65          HH12      ARG  65  -8.670  15.762  -0.066
  532   2HH1  ARG  65          HH11      ARG  65  -9.861  16.740  -0.878
  533   1HH2  ARG  65          HH21      ARG  65  -8.982  17.000  -3.637
  534   2HH2  ARG  65          HH22      ARG  65  -7.560  17.440  -2.740
  535    H    GLN  66           HN       GLN  66  -9.904  10.576   0.924
  536    HA   GLN  66           HA       GLN  66 -10.084   7.768   1.532
  537   1HB   GLN  66          HB2       GLN  66  -9.913   8.114   3.993
  538   2HB   GLN  66          HB3       GLN  66  -8.383   8.345   3.157
  539   1HG   GLN  66          HG3       GLN  66  -8.567  10.709   3.340
  540   2HG   GLN  66          HG2       GLN  66 -10.229  10.588   3.921
  541   1HE2  GLN  66          HE21      GLN  66  -9.149   8.120   5.497
  542   2HE2  GLN  66          HE22      GLN  66  -8.441   8.855   6.897
  543    H    HIS  67           HN       HIS  67 -12.048   7.287   2.638
  544    HA   HIS  67           HA       HIS  67 -13.936   9.519   2.898
  545   1HB   HIS  67          HB3       HIS  67 -14.478   6.939   1.411
  546   2HB   HIS  67          HB2       HIS  67 -15.706   8.117   1.865
  547    HD1  HIS  67           HD1      HIS  67 -15.036  10.689   0.905
  548    HD2  HIS  67           HD2      HIS  67 -13.600   7.342  -1.105
  549    HE1  HIS  67           HE1      HIS  67 -14.373  11.488  -1.382
  550    HE2  HIS  67           HE2      HIS  67 -13.672   9.420  -2.627
  551    H    THR  68           HN       THR  68 -14.712   9.532   4.859
  552    HA   THR  68           HA       THR  68 -14.405   7.267   6.589
  553    HB   THR  68           HB       THR  68 -15.851   9.800   7.294
  554    HG1  THR  68           HG1      THR  68 -13.030   9.382   7.163
  555   1HG2  THR  68          HG21      THR  68 -15.319   7.709   8.873
  556   2HG2  THR  68          HG22      THR  68 -15.346   9.374   9.447
  557   3HG2  THR  68          HG23      THR  68 -13.809   8.600   9.057
  558    H    THR  69           HN       THR  69 -17.164   8.686   7.730
  559    HA   THR  69           HA       THR  69 -19.361   8.087   7.834
  560    HB   THR  69           HB       THR  69 -18.945   6.520   5.277
  561    HG1  THR  69           HG1      THR  69 -18.559   9.030   5.518
  562   1HG2  THR  69          HG21      THR  69 -21.039   5.919   6.057
  563   2HG2  THR  69          HG22      THR  69 -21.374   7.287   4.991
  564   3HG2  THR  69          HG23      THR  69 -21.353   7.515   6.738
  565    H    ASP  70           HN       ASP  70 -18.390   6.967   9.645
  566    HA   ASP  70           HA       ASP  70 -18.469   5.181  11.080
  567   1HB   ASP  70          HB2       ASP  70 -20.426   4.313   9.849
  568   2HB   ASP  70          HB3       ASP  70 -19.345   3.562   8.684
  569    H    GLU  71           HN       GLU  71 -17.575   3.420   8.166
  570    HA   GLU  71           HA       GLU  71 -14.931   2.849   9.336
  571   1HB   GLU  71          HB3       GLU  71 -16.589   1.047   8.408
  572   2HB   GLU  71          HB2       GLU  71 -16.044   1.613   6.838
  573   1HG   GLU  71          HG3       GLU  71 -13.827   0.926   7.234
  574   2HG   GLU  71          HG2       GLU  71 -14.157   0.612   8.939
  575    H    ASP  72           HN       ASP  72 -13.154   3.767   8.491
  576    HA   ASP  72           HA       ASP  72 -13.537   5.634   6.271
  577   1HB   ASP  72          HB3       ASP  72 -12.347   6.183   8.509
  578   2HB   ASP  72          HB2       ASP  72 -10.978   5.333   7.800
  579    H    THR  73           HN       THR  73 -12.969   5.196   4.327
  580    HA   THR  73           HA       THR  73 -11.122   2.960   3.807
  581    HB   THR  73           HB       THR  73 -13.344   4.129   2.147
  582    HG1  THR  73           HG1      THR  73 -13.533   2.558   4.153
  583   1HG2  THR  73          HG21      THR  73 -13.051   2.159   0.693
  584   2HG2  THR  73          HG22      THR  73 -11.578   1.753   1.584
  585   3HG2  THR  73          HG23      THR  73 -11.681   3.257   0.663
  586    H    ILE  74           HN       ILE  74  -9.280   3.355   2.707
  587    HA   ILE  74           HA       ILE  74  -8.704   6.066   1.830
  588    HB   ILE  74           HB       ILE  74  -6.903   3.630   1.855
  589   1HG1  ILE  74          HG12      ILE  74  -7.723   4.296   4.087
  590   2HG1  ILE  74          HG13      ILE  74  -5.982   4.490   3.920
  591   1HG2  ILE  74          HG21      ILE  74  -6.445   5.699   0.338
  592   2HG2  ILE  74          HG22      ILE  74  -5.940   6.437   1.858
  593   3HG2  ILE  74          HG23      ILE  74  -5.140   4.977   1.290
  594   1HD1  ILE  74          HD11      ILE  74  -6.804   6.387   5.108
  595   2HD1  ILE  74          HD12      ILE  74  -6.422   6.933   3.473
  596   3HD1  ILE  74          HD13      ILE  74  -8.093   6.643   3.927
  597    H    VAL  75           HN       VAL  75  -8.794   6.649  -0.321
  598    HA   VAL  75           HA       VAL  75  -9.047   4.447  -2.246
  599    HB   VAL  75           HB       VAL  75 -10.428   5.769  -3.607
  600   1HG1  VAL  75          HG11      VAL  75 -11.304   4.900  -1.315
  601   2HG1  VAL  75          HG12      VAL  75 -11.503   6.619  -0.975
  602   3HG1  VAL  75          HG13      VAL  75 -12.327   5.890  -2.357
  603   1HG2  VAL  75          HG21      VAL  75  -9.402   7.854  -3.693
  604   2HG2  VAL  75          HG22      VAL  75 -11.014   8.152  -3.031
  605   3HG2  VAL  75          HG23      VAL  75  -9.608   8.136  -1.962
  606    H    LEU  76           HN       LEU  76  -7.930   4.478  -4.126
  607    HA   LEU  76           HA       LEU  76  -5.884   6.574  -4.374
  608   1HB   LEU  76          HB2       LEU  76  -5.712   3.649  -5.156
  609   2HB   LEU  76          HB3       LEU  76  -4.534   4.867  -5.590
  610    HG   LEU  76           HG       LEU  76  -4.162   5.222  -3.095
  611   1HD1  LEU  76          HD11      LEU  76  -5.000   3.779  -1.541
  612   2HD1  LEU  76          HD12      LEU  76  -6.309   3.644  -2.713
  613   3HD1  LEU  76          HD13      LEU  76  -5.036   2.416  -2.665
  614   1HD2  LEU  76          HD21      LEU  76  -3.119   3.393  -4.966
  615   2HD2  LEU  76          HD22      LEU  76  -2.312   4.122  -3.580
  616   3HD2  LEU  76          HD23      LEU  76  -3.155   2.586  -3.396
  617    H    GLN  77           HN       GLN  77  -5.770   7.592  -6.330
  618    HA   GLN  77           HA       GLN  77  -7.902   7.032  -8.219
  619   1HB   GLN  77          HB3       GLN  77  -6.085   9.346  -7.708
  620   2HB   GLN  77          HB2       GLN  77  -6.869   9.187  -9.270
  621   1HG   GLN  77          HG3       GLN  77  -9.056   9.121  -8.186
  622   2HG   GLN  77          HG2       GLN  77  -8.273   9.249  -6.612
  623   1HE2  GLN  77          HE21      GLN  77  -8.616  11.222  -5.813
  624   2HE2  GLN  77          HE22      GLN  77  -8.477  12.709  -6.694
  625    HA   PRO  78           HA       PRO  78  -5.586   4.923 -11.180
  626   1HB   PRO  78          HB2       PRO  78  -7.382   6.114 -13.181
  627   2HB   PRO  78          HB3       PRO  78  -7.219   4.428 -12.685
  628   1HG   PRO  78          HG2       PRO  78  -9.381   5.850 -12.007
  629   2HG   PRO  78          HG3       PRO  78  -8.657   4.686 -10.879
  630   1HD   PRO  78          HD3       PRO  78  -8.343   7.654 -10.972
  631   2HD   PRO  78          HD2       PRO  78  -8.666   6.611  -9.573
  632    H    GLN  79           HN       GLN  79  -3.727   6.569 -10.932
  633    HA   GLN  79           HA       GLN  79  -3.345   8.682 -12.688
  634   1HB   GLN  79          HB3       GLN  79  -0.908   8.198 -12.238
  635   2HB   GLN  79          HB2       GLN  79  -1.917   8.440 -10.819
  636   1HG   GLN  79          HG3       GLN  79  -1.707   6.284 -10.145
  637   2HG   GLN  79          HG2       GLN  79  -1.594   5.667 -11.792
  638   1HE2  GLN  79          HE21      GLN  79   0.191   4.533 -11.805
  639   2HE2  GLN  79          HE22      GLN  79   1.764   5.188 -11.538
  640    H    GLU  80           HN       GLU  80  -2.881   5.242 -13.271
  641    HA   GLU  80           HA       GLU  80  -2.006   5.894 -15.997
  642   1HB   GLU  80          HB3       GLU  80  -0.779   3.998 -14.015
  643   2HB   GLU  80          HB2       GLU  80  -0.589   3.744 -15.741
  644   1HG   GLU  80          HG3       GLU  80   0.107   6.393 -14.551
  645   2HG   GLU  80          HG2       GLU  80   1.228   5.043 -14.399
  646    HA   PRO  81           HA       PRO  81  -4.909   2.912 -17.481
  647   1HB   PRO  81          HB2       PRO  81  -2.890   2.003 -19.425
  648   2HB   PRO  81          HB3       PRO  81  -4.447   2.787 -19.703
  649   1HG   PRO  81          HG3       PRO  81  -2.153   4.100 -20.126
  650   2HG   PRO  81          HG2       PRO  81  -3.592   4.903 -19.462
  651   1HD   PRO  81          HD3       PRO  81  -1.180   3.850 -18.021
  652   2HD   PRO  81          HD2       PRO  81  -1.987   5.420 -17.830
  653    H    GLY  82           HN       GLY  82  -5.419   0.907 -16.779
  654   1HA   GLY  82          HA1       GLY  82  -4.931  -1.435 -16.485
  655   2HA   GLY  82          HA2       GLY  82  -3.220  -1.023 -16.362
  656    H    LEU  83           HN       LEU  83  -4.726   1.333 -14.870
  657    HA   LEU  83           HA       LEU  83  -4.854   0.049 -12.234
  658   1HB   LEU  83          HB3       LEU  83  -2.780   1.312 -12.331
  659   2HB   LEU  83          HB2       LEU  83  -3.620   2.717 -12.954
  660    HG   LEU  83           HG       LEU  83  -4.786   2.986 -10.803
  661   1HD1  LEU  83          HD11      LEU  83  -3.195   0.563  -9.992
  662   2HD1  LEU  83          HD12      LEU  83  -3.996   1.634  -8.851
  663   3HD1  LEU  83          HD13      LEU  83  -4.949   0.713 -10.030
  664   1HD2  LEU  83          HD21      LEU  83  -2.401   3.910 -11.279
  665   2HD2  LEU  83          HD22      LEU  83  -2.960   3.890  -9.607
  666   3HD2  LEU  83          HD23      LEU  83  -1.848   2.648 -10.182
  667    HA   PRO  84           HA       PRO  84  -8.796   2.210 -12.979
  668   1HB   PRO  84          HB3       PRO  84 -10.374   0.355 -11.848
  669   2HB   PRO  84          HB2       PRO  84  -9.678   0.114 -13.450
  670   1HG   PRO  84          HG2       PRO  84  -8.803  -1.009 -10.818
  671   2HG   PRO  84          HG3       PRO  84  -8.878  -1.788 -12.407
  672   1HD   PRO  84          HD3       PRO  84  -6.580  -0.765 -11.287
  673   2HD   PRO  84          HD2       PRO  84  -6.848  -1.035 -13.021
  674    H    SER  85           HN       SER  85 -10.688   1.650 -10.831
  675    HA   SER  85           HA       SER  85  -9.645   3.572  -8.951
  676   1HB   SER  85          HB2       SER  85 -12.285   2.066  -8.833
  677   2HB   SER  85          HB3       SER  85 -11.852   3.542  -7.966
  678    HG   SER  85           HG       SER  85 -11.983   3.295 -10.798
  679    H    PHE  86           HN       PHE  86  -9.126   3.104  -6.775
  680    HA   PHE  86           HA       PHE  86  -9.172   0.299  -5.984
  681   1HB   PHE  86          HB3       PHE  86  -7.049   0.496  -7.079
  682   2HB   PHE  86          HB2       PHE  86  -6.715   2.028  -6.288
  683    HD1  PHE  86           HD1      PHE  86  -7.858  -1.172  -4.785
  684    HD2  PHE  86           HD2      PHE  86  -4.783   1.723  -5.154
  685    HE1  PHE  86           HE1      PHE  86  -6.561  -2.346  -3.056
  686    HE2  PHE  86           HE2      PHE  86  -3.491   0.581  -3.407
  687    HZ   PHE  86           HZ       PHE  86  -4.357  -1.451  -2.352
  688    H    ARG  87           HN       ARG  87  -9.756   0.107  -3.950
  689    HA   ARG  87           HA       ARG  87  -9.423   2.371  -2.098
  690   1HB   ARG  87          HB2       ARG  87 -11.904   0.716  -2.581
  691   2HB   ARG  87          HB3       ARG  87 -11.708   1.824  -1.233
  692   1HG   ARG  87          HG3       ARG  87 -12.069   3.631  -2.523
  693   2HG   ARG  87          HG2       ARG  87 -11.225   2.943  -3.912
  694   1HD   ARG  87          HD3       ARG  87 -13.689   3.249  -4.234
  695   2HD   ARG  87          HD2       ARG  87 -13.131   1.591  -4.482
  696    HE   ARG  87           HE       ARG  87 -13.892   1.807  -1.813
  697   1HH1  ARG  87          HH12      ARG  87 -16.220   2.711  -4.540
  698   2HH1  ARG  87          HH11      ARG  87 -16.340   0.979  -4.704
  699   1HH2  ARG  87          HH21      ARG  87 -16.775   1.951  -1.411
  700   2HH2  ARG  87          HH22      ARG  87 -16.665   0.311  -1.973
  701    H    ILE  88           HN       ILE  88  -8.938   1.805  -0.023
  702    HA   ILE  88           HA       ILE  88  -8.937  -1.087   0.613
  703    HB   ILE  88           HB       ILE  88  -6.874  -0.507   2.098
  704   1HG1  ILE  88          HG12      ILE  88  -6.627   1.618  -0.046
  705   2HG1  ILE  88          HG13      ILE  88  -6.895   1.909   1.673
  706   1HG2  ILE  88          HG21      ILE  88  -5.910  -1.919   0.679
  707   2HG2  ILE  88          HG22      ILE  88  -7.210  -1.620  -0.475
  708   3HG2  ILE  88          HG23      ILE  88  -5.742  -0.642  -0.527
  709   1HD1  ILE  88          HD11      ILE  88  -4.432   1.068   0.254
  710   2HD1  ILE  88          HD12      ILE  88  -4.634   2.186   1.596
  711   3HD1  ILE  88          HD13      ILE  88  -4.692   0.437   1.877
  712    H    LYS  89           HN       LYS  89  -9.831  -1.643   2.501
  713    HA   LYS  89           HA       LYS  89 -10.431   0.541   4.376
  714   1HB   LYS  89          HB3       LYS  89 -12.411  -0.779   5.055
  715   2HB   LYS  89          HB2       LYS  89 -12.456  -0.335   3.353
  716   1HG   LYS  89          HG2       LYS  89 -12.027  -2.505   2.632
  717   2HG   LYS  89          HG3       LYS  89 -11.403  -3.003   4.216
  718   1HD   LYS  89          HD2       LYS  89 -13.699  -2.621   5.111
  719   2HD   LYS  89          HD3       LYS  89 -14.225  -2.406   3.440
  720   1HE   LYS  89          HE2       LYS  89 -13.578  -4.632   2.873
  721   2HE   LYS  89          HE3       LYS  89 -12.780  -4.838   4.432
  722   1HZ   LYS  89          HZ1       LYS  89 -15.516  -5.236   3.722
  723   2HZ   LYS  89          HZ2       LYS  89 -15.387  -4.176   5.036
  724   3HZ   LYS  89          HZ3       LYS  89 -14.700  -5.725   5.122
  725    HA   PRO  90           HA       PRO  90  -7.955  -1.780   7.156
  726   1HB   PRO  90          HB3       PRO  90  -9.060  -0.357   9.403
  727   2HB   PRO  90          HB2       PRO  90  -7.496  -0.134   8.618
  728   1HG   PRO  90          HG3       PRO  90  -9.549   1.703   8.540
  729   2HG   PRO  90          HG2       PRO  90  -8.258   1.584   7.328
  730   1HD   PRO  90          HD3       PRO  90 -11.067   0.553   7.230
  731   2HD   PRO  90          HD2       PRO  90 -10.101   1.288   5.929
  732    H    LYS  91           HN       LYS  91  -9.706  -3.459   6.486
  733    HA   LYS  91           HA       LYS  91 -10.990  -4.382   8.966
  734   1HB   LYS  91          HB2       LYS  91 -12.429  -3.525   6.817
  735   2HB   LYS  91          HB3       LYS  91 -12.282  -5.249   6.493
  736   1HG   LYS  91          HG3       LYS  91 -14.317  -4.696   7.748
  737   2HG   LYS  91          HG2       LYS  91 -13.241  -5.790   8.622
  738   1HD   LYS  91          HD2       LYS  91 -12.373  -3.940   9.939
  739   2HD   LYS  91          HD3       LYS  91 -13.379  -2.801   9.040
  740   1HE   LYS  91          HE2       LYS  91 -14.439  -5.085  10.681
  741   2HE   LYS  91          HE3       LYS  91 -14.301  -3.422  11.258
  742   1HZ   LYS  91          HZ1       LYS  91 -16.472  -3.627  10.506
  743   2HZ   LYS  91          HZ2       LYS  91 -16.030  -4.473   9.105
  744   3HZ   LYS  91          HZ3       LYS  91 -15.669  -2.820   9.244
  745    H    ASP  92           HN       ASP  92  -8.570  -5.201   8.462
  746    HA   ASP  92           HA       ASP  92  -8.826  -8.019   8.379
  747   1HB   ASP  92          HB3       ASP  92  -8.604  -7.223   5.917
  748   2HB   ASP  92          HB2       ASP  92  -6.932  -6.885   6.342
  749    H    PHE  93           HN       PHE  93  -7.246  -8.868   9.705
  750    HA   PHE  93           HA       PHE  93  -4.639  -7.836   9.962
  751   1HB   PHE  93          HB3       PHE  93  -4.701  -6.770  12.132
  752   2HB   PHE  93          HB2       PHE  93  -5.792  -5.936  11.038
  753    HD1  PHE  93           HD1      PHE  93  -5.721  -5.812  14.105
  754    HD2  PHE  93           HD2      PHE  93  -8.038  -8.128  11.363
  755    HE1  PHE  93           HE1      PHE  93  -7.552  -5.966  15.747
  756    HE2  PHE  93           HE2      PHE  93  -9.863  -8.263  13.010
  757    HZ   PHE  93           HZ       PHE  93  -9.613  -7.194  15.204
  758    H    GLU  94           HN       GLU  94  -3.588  -8.549  12.032
  759    HA   GLU  94           HA       GLU  94  -4.376 -11.310  12.595
  760   1HB   GLU  94          HB2       GLU  94  -2.027 -10.960  11.934
  761   2HB   GLU  94          HB3       GLU  94  -1.845  -9.720  13.164
  762   1HG   GLU  94          HG3       GLU  94  -0.799 -11.595  14.039
  763   2HG   GLU  94          HG2       GLU  94  -2.350 -11.526  14.865
  764    H    THR  95           HN       THR  95  -3.239  -8.380  14.205
  765    HA   THR  95           HA       THR  95  -5.231  -8.477  16.279
  766    HB   THR  95           HB       THR  95  -2.319  -8.761  17.081
  767    HG1  THR  95           HG1      THR  95  -4.217 -10.677  16.503
  768   1HG2  THR  95          HG21      THR  95  -4.435  -9.469  18.953
  769   2HG2  THR  95          HG22      THR  95  -4.391  -7.753  18.556
  770   3HG2  THR  95          HG23      THR  95  -2.964  -8.545  19.233
  771    H    SER  96           HN       SER  96  -5.313  -6.446  17.408
  772    HA   SER  96           HA       SER  96  -4.901  -4.300  17.872
  773   1HB   SER  96          HB3       SER  96  -2.540  -4.873  18.024
  774   2HB   SER  96          HB2       SER  96  -2.367  -4.630  16.291
  775    HG   SER  96           HG       SER  96  -2.449  -2.797  18.333
  776    H    GLU  97           HN       GLU  97  -6.728  -3.851  16.712
  777    HA   GLU  97           HA       GLU  97  -6.778  -3.164  13.953
  778   1HB   GLU  97          HB3       GLU  97  -8.783  -3.678  15.243
  779   2HB   GLU  97          HB2       GLU  97  -8.508  -2.279  16.265
  780   1HG   GLU  97          HG2       GLU  97  -8.764  -0.870  14.220
  781   2HG   GLU  97          HG3       GLU  97  -9.217  -2.336  13.353
  782    H    TYR  98           HN       TYR  98  -5.553  -1.761  16.707
  783    HA   TYR  98           HA       TYR  98  -5.600   1.007  16.263
  784   1HB   TYR  98          HB2       TYR  98  -3.323  -0.603  17.448
  785   2HB   TYR  98          HB3       TYR  98  -3.579   1.125  17.656
  786    HD1  TYR  98           HD1      TYR  98  -5.556  -2.033  18.185
  787    HD2  TYR  98           HD2      TYR  98  -4.428   1.794  19.670
  788    HE1  TYR  98           HE1      TYR  98  -6.876  -2.438  20.218
  789    HE2  TYR  98           HE2      TYR  98  -5.732   1.398  21.704
  790    HH   TYR  98           HH       TYR  98  -6.566  -1.202  22.870
  791    H    VAL  99           HN       VAL  99  -3.307  -1.441  15.153
  792    HA   VAL  99           HA       VAL  99  -1.568   0.235  13.748
  793    HB   VAL  99           HB       VAL  99  -2.205  -2.695  13.330
  794   1HG1  VAL  99          HG21      VAL  99  -0.857  -2.783  11.564
  795   2HG1  VAL  99          HG22      VAL  99  -0.761  -1.022  11.598
  796   3HG1  VAL  99          HG23      VAL  99   0.439  -1.989  12.459
  797   1HG2  VAL  99          HG11      VAL  99  -1.125  -1.622  15.513
  798   2HG2  VAL  99          HG12      VAL  99  -0.591  -3.181  14.884
  799   3HG2  VAL  99          HG13      VAL  99   0.335  -1.715  14.535
  800    H    ARG 100           HN       ARG 100  -4.635  -1.179  12.784
  801    HA   ARG 100           HA       ARG 100  -4.450  -0.723   9.983
  802   1HB   ARG 100          HB2       ARG 100  -6.715  -1.089  11.914
  803   2HB   ARG 100          HB3       ARG 100  -7.062  -0.554  10.277
  804   1HG   ARG 100          HG3       ARG 100  -7.321  -2.807  10.048
  805   2HG   ARG 100          HG2       ARG 100  -5.620  -2.628   9.617
  806   1HD   ARG 100          HD2       ARG 100  -6.327  -3.143  12.473
  807   2HD   ARG 100          HD3       ARG 100  -6.364  -4.481  11.325
  808    HE   ARG 100           HE       ARG 100  -4.068  -3.379  12.509
  809   1HH1  ARG 100          HH11      ARG 100  -5.015  -5.116   9.469
  810   2HH1  ARG 100          HH12      ARG 100  -3.628  -4.404   8.705
  811   1HH2  ARG 100          HH22      ARG 100  -2.088  -5.151  11.437
  812   2HH2  ARG 100          HH21      ARG 100  -1.769  -3.913  10.265
  813    H    LYS 101           HN       LYS 101  -5.630   1.216  12.666
  814    HA   LYS 101           HA       LYS 101  -6.582   3.423  11.148
  815   1HB   LYS 101          HB2       LYS 101  -7.049   2.746  13.597
  816   2HB   LYS 101          HB3       LYS 101  -5.558   3.585  13.957
  817   1HG   LYS 101          HG3       LYS 101  -6.517   5.636  12.958
  818   2HG   LYS 101          HG2       LYS 101  -8.042   4.771  12.744
  819   1HD   LYS 101          HD3       LYS 101  -6.641   5.326  15.359
  820   2HD   LYS 101          HD2       LYS 101  -8.109   6.107  14.780
  821   1HE   LYS 101          HE3       LYS 101  -9.254   3.924  14.840
  822   2HE   LYS 101          HE2       LYS 101  -7.782   3.192  15.475
  823   1HZ   LYS 101          HZ1       LYS 101  -9.789   4.748  16.831
  824   2HZ   LYS 101          HZ2       LYS 101  -8.201   5.245  17.175
  825   3HZ   LYS 101          HZ3       LYS 101  -8.660   3.639  17.447
  826    H    ALA 102           HN       ALA 102  -3.515   2.517  12.602
  827    HA   ALA 102           HA       ALA 102  -2.253   5.032  12.278
  828   1HB   ALA 102          HB1       ALA 102  -0.627   2.558  12.434
  829   2HB   ALA 102          HB2       ALA 102  -0.433   4.104  13.258
  830   3HB   ALA 102          HB3       ALA 102  -1.669   2.963  13.799
  831    H    TRP 103           HN       TRP 103  -3.349   3.204   9.840
  832    HA   TRP 103           HA       TRP 103  -0.983   3.626   8.143
  833   1HB   TRP 103          HB3       TRP 103  -3.205   1.705   8.033
  834   2HB   TRP 103          HB2       TRP 103  -2.788   2.438   6.484
  835    HD1  TRP 103           HD1      TRP 103  -1.209   0.364   9.299
  836    HE1  TRP 103           HE1      TRP 103   0.841  -0.897   8.368
  837    HE3  TRP 103           HE3      TRP 103  -1.069   2.385   4.604
  838    HZ2  TRP 103           HZ2      TRP 103   2.354  -0.966   5.952
  839    HZ3  TRP 103           HZ3      TRP 103   0.718   1.620   3.076
  840    HH2  TRP 103           HH2      TRP 103   2.359  -0.006   3.737
  841    H    LEU 104           HN       LEU 104  -4.122   4.751   8.923
  842    HA   LEU 104           HA       LEU 104  -4.612   6.202   6.526
  843   1HB   LEU 104          HB2       LEU 104  -5.686   6.361   9.322
  844   2HB   LEU 104          HB3       LEU 104  -6.051   7.643   8.183
  845    HG   LEU 104           HG       LEU 104  -7.016   5.899   6.644
  846   1HD1  LEU 104          HD11      LEU 104  -6.079   4.151   8.800
  847   2HD1  LEU 104          HD12      LEU 104  -7.716   3.836   8.227
  848   3HD1  LEU 104          HD13      LEU 104  -6.367   3.816   7.091
  849   1HD2  LEU 104          HD21      LEU 104  -8.863   6.754   7.549
  850   2HD2  LEU 104          HD22      LEU 104  -8.847   5.391   8.665
  851   3HD2  LEU 104          HD23      LEU 104  -8.092   6.916   9.129
  852    H    ARG 105           HN       ARG 105  -2.845   6.768   9.460
  853    HA   ARG 105           HA       ARG 105  -2.273   9.543   8.974
  854   1HB   ARG 105          HB3       ARG 105  -1.254   7.494  10.886
  855   2HB   ARG 105          HB2       ARG 105  -0.286   8.935  10.610
  856   1HG   ARG 105          HG3       ARG 105  -2.706  10.057  11.032
  857   2HG   ARG 105          HG2       ARG 105  -2.845   8.610  12.036
  858   1HD   ARG 105          HD3       ARG 105  -1.946  10.611  13.243
  859   2HD   ARG 105          HD2       ARG 105  -0.878   9.207  13.295
  860    HE   ARG 105           HE       ARG 105  -0.128  10.756  11.110
  861   1HH1  ARG 105          HH12      ARG 105  -0.292  11.627  14.588
  862   2HH1  ARG 105          HH11      ARG 105   1.445  11.680  14.627
  863   1HH2  ARG 105          HH21      ARG 105   2.133  11.676  11.466
  864   2HH2  ARG 105          HH22      ARG 105   1.667  13.152  12.254
  865    H    ASP 106           HN       ASP 106  -0.843   6.480   8.156
  866    HA   ASP 106           HA       ASP 106   1.642   7.422   7.199
  867   1HB   ASP 106          HB2       ASP 106   0.062   4.888   6.756
  868   2HB   ASP 106          HB3       ASP 106   1.537   5.201   5.849
  869    H    ILE 107           HN       ILE 107  -1.554   7.328   5.948
  870    HA   ILE 107           HA       ILE 107  -0.704   7.961   3.232
  871    HB   ILE 107           HB       ILE 107  -3.243   7.023   4.452
  872   1HG1  ILE 107          HG13      ILE 107  -3.358   5.714   2.375
  873   2HG1  ILE 107          HG12      ILE 107  -1.930   6.553   1.776
  874   1HG2  ILE 107          HG21      ILE 107  -3.376   8.513   1.852
  875   2HG2  ILE 107          HG22      ILE 107  -4.696   7.807   2.788
  876   3HG2  ILE 107          HG23      ILE 107  -3.842   9.221   3.398
  877   1HD1  ILE 107          HD11      ILE 107  -0.542   5.290   2.972
  878   2HD1  ILE 107          HD12      ILE 107  -1.584   5.289   4.393
  879   3HD1  ILE 107          HD13      ILE 107  -1.905   4.178   3.052
  880    H    ALA 108           HN       ALA 108  -1.915   9.494   6.097
  881    HA   ALA 108           HA       ALA 108  -2.847  11.896   4.879
  882   1HB   ALA 108          HB1       ALA 108  -3.656  11.410   7.060
  883   2HB   ALA 108          HB2       ALA 108  -2.028  11.194   7.690
  884   3HB   ALA 108          HB3       ALA 108  -2.593  12.807   7.233
  885    H    GLU 109           HN       GLU 109   0.215  10.576   5.767
  886    HA   GLU 109           HA       GLU 109   1.632  12.637   4.427
  887   1HB   GLU 109          HB2       GLU 109   3.152  13.186   6.362
  888   2HB   GLU 109          HB3       GLU 109   1.548  13.893   6.440
  889   1HG   GLU 109          HG2       GLU 109   0.877  12.167   8.038
  890   2HG   GLU 109          HG3       GLU 109   2.507  11.499   7.970
  891    H    GLU 110           HN       GLU 110   2.127  10.936   3.205
  892    HA   GLU 110           HA       GLU 110   3.186   8.486   4.056
  893   1HB   GLU 110          HB2       GLU 110   3.855   8.204   1.697
  894   2HB   GLU 110          HB3       GLU 110   2.189   8.726   1.886
  895   1HG   GLU 110          HG3       GLU 110   4.330  10.744   1.350
  896   2HG   GLU 110          HG2       GLU 110   3.641   9.786   0.041
  897    H    GLN 111           HN       GLN 111   5.304   7.656   3.497
  898    HA   GLN 111           HA       GLN 111   7.489   7.481   3.863
  899   1HB   GLN 111          HB2       GLN 111   7.154   9.954   2.307
  900   2HB   GLN 111          HB3       GLN 111   8.769   9.585   2.895
  901   1HG   GLN 111          HG3       GLN 111   8.633   7.416   1.758
  902   2HG   GLN 111          HG2       GLN 111   7.019   7.826   1.186
  903   1HE2  GLN 111          HE21      GLN 111   8.033  10.679   0.847
  904   2HE2  GLN 111          HE22      GLN 111   8.687  10.593  -0.751
  905    H    GLU 112           HN       GLU 112   7.118   7.540   6.179
  906    HA   GLU 112           HA       GLU 112   7.263   9.834   7.790
  907   1HB   GLU 112          HB2       GLU 112   8.302   7.077   8.436
  908   2HB   GLU 112          HB3       GLU 112   7.888   8.327   9.595
  909   1HG   GLU 112          HG2       GLU 112   5.573   8.140   9.044
  910   2HG   GLU 112          HG3       GLU 112   5.934   6.990   7.750
  911    H    LYS 113           HN       LYS 113   9.720   7.536   6.786
  912    HA   LYS 113           HA       LYS 113  11.874   8.774   8.101
  913   1HB   LYS 113          HB3       LYS 113  11.734   6.748   5.869
  914   2HB   LYS 113          HB2       LYS 113  13.268   7.317   6.512
  915   1HG   LYS 113          HG2       LYS 113  12.784   5.280   7.572
  916   2HG   LYS 113          HG3       LYS 113  12.531   6.557   8.756
  917   1HD   LYS 113          HD2       LYS 113  10.064   6.420   8.210
  918   2HD   LYS 113          HD3       LYS 113  10.444   4.967   7.280
  919   1HE   LYS 113          HE2       LYS 113  11.494   4.019   9.336
  920   2HE   LYS 113          HE3       LYS 113  10.893   5.407  10.236
  921   1HZ   LYS 113          HZ1       LYS 113   9.395   3.168   9.040
  922   2HZ   LYS 113          HZ2       LYS 113   8.614   4.649   9.308
  923   3HZ   LYS 113          HZ3       LYS 113   9.298   3.808  10.612
  924    H    TYR 114           HN       TYR 114  10.160   9.801   5.447
  925    HA   TYR 114           HA       TYR 114  12.293  10.979   3.942
  926   1HB   TYR 114          HB2       TYR 114   9.911  10.507   3.099
  927   2HB   TYR 114          HB3       TYR 114   9.435  11.944   4.000
  928    HD1  TYR 114           HD1      TYR 114  10.617  14.140   3.404
  929    HD2  TYR 114           HD2      TYR 114  10.774  10.716   0.934
  930    HE1  TYR 114           HE1      TYR 114  11.289  15.564   1.523
  931    HE2  TYR 114           HE2      TYR 114  11.367  12.111  -0.988
  932    HH   TYR 114           HH       TYR 114  11.005  14.683  -1.577
  933    H    ALA 115           HN       ALA 115  10.281  11.851   6.644
  934    HA   ALA 115           HA       ALA 115  11.374  14.547   6.777
  935   1HB   ALA 115          HB1       ALA 115   8.874  13.856   7.237
  936   2HB   ALA 115          HB2       ALA 115   9.505  13.462   8.837
  937   3HB   ALA 115          HB3       ALA 115   9.655  15.101   8.212
  938    H    ALA 116           HN       ALA 116  11.641  15.141   9.313
  939    HA   ALA 116           HA       ALA 116  12.919  14.974  11.183
  940   1HB   ALA 116          HB1       ALA 116  14.013  12.330  11.078
  941   2HB   ALA 116          HB2       ALA 116  12.873  13.025  12.230
  942   3HB   ALA 116          HB3       ALA 116  12.282  12.276  10.746
  943    H    GLU 117           HN       GLU 117  14.091  13.784   8.153
  944    HA   GLU 117           HA       GLU 117  16.881  13.973   8.690
  945   1HB   GLU 117          HB3       GLU 117  15.258  14.063   6.147
  946   2HB   GLU 117          HB2       GLU 117  17.013  14.145   6.157
  947   1HG   GLU 117          HG3       GLU 117  15.405  11.880   7.313
  948   2HG   GLU 117          HG2       GLU 117  16.102  11.875   5.694
  949    H    ARG 118           HN       ARG 118  14.502  16.144   7.248
  950    HA   ARG 118           HA       ARG 118  16.112  18.441   8.018
  951   1HB   ARG 118          HB3       ARG 118  17.053  17.908   5.861
  952   2HB   ARG 118          HB2       ARG 118  15.452  17.739   5.161
  953   1HG   ARG 118          HG2       ARG 118  15.049  20.139   5.465
  954   2HG   ARG 118          HG3       ARG 118  16.683  20.322   6.110
  955   1HD   ARG 118          HD2       ARG 118  16.498  20.924   3.717
  956   2HD   ARG 118          HD3       ARG 118  17.647  19.628   4.041
  957    HE   ARG 118           HE       ARG 118  16.431  18.306   2.661
  958   1HH1  ARG 118          HH11      ARG 118  13.927  21.080   2.648
  959   2HH1  ARG 118          HH12      ARG 118  13.190  20.048   3.845
  960   1HH2  ARG 118          HH22      ARG 118  14.288  17.335   1.924
  961   2HH2  ARG 118          HH21      ARG 118  13.717  18.661   0.952
  962    H    ASP 119           HN       ASP 119  13.189  17.163   6.507
  963    HA   ASP 119           HA       ASP 119  11.018  17.803   6.538
  964   1HB   ASP 119          HB3       ASP 119  12.032  19.253   8.946
  965   2HB   ASP 119          HB2       ASP 119  10.453  19.696   8.302
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1   6.203 -13.603  10.440
    2   2H    MET   1          HT2       MET   1   4.946 -14.413   9.586
    3   3H    MET   1          HT3       MET   1   4.789 -12.746   9.991
    4    HA   MET   1           HA       MET   1   6.623 -13.967   8.075
    5   1HB   MET   1          HB3       MET   1   4.333 -12.001   7.922
    6   2HB   MET   1          HB2       MET   1   5.482 -12.246   6.617
    7   1HG   MET   1          HG2       MET   1   4.824 -14.658   6.629
    8   2HG   MET   1          HG3       MET   1   3.540 -14.232   7.760
    9   1HE   MET   1          HE1       MET   1   1.496 -15.146   5.672
   10   2HE   MET   1          HE2       MET   1   2.223 -15.001   4.074
   11   3HE   MET   1          HE3       MET   1   3.118 -15.783   5.376
   12    H    GLY   2           HN       GLY   2   8.084 -12.486   7.023
   13   1HA   GLY   2          HA1       GLY   2   8.685  -9.944   7.255
   14   2HA   GLY   2          HA2       GLY   2   9.117 -10.463   8.879
   15    H    ASP   3           HN       ASP   3  11.077  -9.362   7.400
   16    HA   ASP   3           HA       ASP   3  12.668 -11.648   6.402
   17   1HB   ASP   3          HB2       ASP   3  12.799  -8.698   5.701
   18   2HB   ASP   3          HB3       ASP   3  14.091  -9.823   5.300
   19    H    THR   4           HN       THR   4  14.842  -9.307   6.633
   20    HA   THR   4           HA       THR   4  15.852 -10.257   9.177
   21    HB   THR   4           HB       THR   4  17.086  -8.091   7.511
   22    HG1  THR   4           HG1      THR   4  17.151 -10.898   7.070
   23   1HG2  THR   4          HG21      THR   4  18.059  -9.978   9.577
   24   2HG2  THR   4          HG22      THR   4  18.472  -8.290   9.297
   25   3HG2  THR   4          HG23      THR   4  19.161  -9.549   8.273
   26    H    GLY   5           HN       GLY   5  13.732  -9.234   9.976
   27   1HA   GLY   5          HA2       GLY   5  14.253  -7.230  11.797
   28   2HA   GLY   5          HA1       GLY   5  13.619  -6.416  10.370
   29    H    LYS   6           HN       LYS   6  12.262  -6.350  12.798
   30    HA   LYS   6           HA       LYS   6  10.156  -8.329  12.708
   31   1HB   LYS   6          HB3       LYS   6  10.583  -5.954  14.530
   32   2HB   LYS   6          HB2       LYS   6   9.279  -7.123  14.698
   33   1HG   LYS   6          HG3       LYS   6  10.909  -8.903  15.010
   34   2HG   LYS   6          HG2       LYS   6  12.215  -7.731  14.842
   35   1HD   LYS   6          HD3       LYS   6  11.451  -6.552  16.841
   36   2HD   LYS   6          HD2       LYS   6  10.116  -7.699  16.991
   37   1HE   LYS   6          HE2       LYS   6  11.720  -9.538  17.252
   38   2HE   LYS   6          HE3       LYS   6  13.050  -8.394  17.093
   39   1HZ   LYS   6          HZ1       LYS   6  11.442  -7.423  19.128
   40   2HZ   LYS   6          HZ2       LYS   6  12.972  -8.139  19.277
   41   3HZ   LYS   6          HZ3       LYS   6  11.573  -9.086  19.409
   42    H    LEU   7           HN       LEU   7   7.953  -6.888  13.481
   43    HA   LEU   7           HA       LEU   7   7.082  -5.893  10.919
   44   1HB   LEU   7          HB2       LEU   7   5.742  -7.311  12.602
   45   2HB   LEU   7          HB3       LEU   7   5.488  -5.809  13.472
   46    HG   LEU   7           HG       LEU   7   4.373  -4.860  11.483
   47   1HD1  LEU   7          HD11      LEU   7   5.482  -7.220  10.226
   48   2HD1  LEU   7          HD12      LEU   7   3.731  -7.151  10.042
   49   3HD1  LEU   7          HD13      LEU   7   4.719  -5.803   9.480
   50   1HD2  LEU   7          HD21      LEU   7   3.419  -6.791  13.280
   51   2HD2  LEU   7          HD22      LEU   7   2.510  -5.568  12.397
   52   3HD2  LEU   7          HD23      LEU   7   2.700  -7.184  11.711
   53    H    GLY   8           HN       GLY   8   8.896  -4.148  11.333
   54   1HA   GLY   8          HA1       GLY   8   7.574  -1.788  12.516
   55   2HA   GLY   8          HA2       GLY   8   9.323  -2.013  12.461
   56    H    ARG   9           HN       ARG   9   7.320  -3.019   9.828
   57    HA   ARG   9           HA       ARG   9   8.757  -1.580   7.910
   58   1HB   ARG   9          HB3       ARG   9   6.128  -2.999   7.878
   59   2HB   ARG   9          HB2       ARG   9   6.609  -2.031   6.493
   60   1HG   ARG   9          HG3       ARG   9   7.368  -4.113   5.892
   61   2HG   ARG   9          HG2       ARG   9   8.806  -3.386   6.606
   62   1HD   ARG   9          HD2       ARG   9   8.194  -4.521   8.753
   63   2HD   ARG   9          HD3       ARG   9   6.929  -5.365   7.860
   64    HE   ARG   9           HE       ARG   9   8.534  -6.684   6.862
   65   1HH1  ARG   9          HH12      ARG   9  10.367  -5.306   9.428
   66   2HH1  ARG   9          HH11      ARG   9  11.173  -4.214   8.334
   67   1HH2  ARG   9          HH22      ARG   9  10.600  -7.216   6.178
   68   2HH2  ARG   9          HH21      ARG   9  11.976  -6.399   6.857
   69    H    ILE  10           HN       ILE  10   8.929   0.498   8.096
   70    HA   ILE  10           HA       ILE  10   7.088   2.298   9.096
   71    HB   ILE  10           HB       ILE  10   9.382   2.950   8.856
   72   1HG1  ILE  10          HG13      ILE  10   7.835   4.681   6.918
   73   2HG1  ILE  10          HG12      ILE  10   7.610   4.730   8.665
   74   1HG2  ILE  10          HG21      ILE  10   9.784   1.599   6.774
   75   2HG2  ILE  10          HG22      ILE  10   9.080   2.937   5.865
   76   3HG2  ILE  10          HG23      ILE  10  10.549   3.191   6.799
   77   1HD1  ILE  10          HD11      ILE  10   9.273   6.341   7.329
   78   2HD1  ILE  10          HD12      ILE  10   9.494   5.873   9.016
   79   3HD1  ILE  10          HD13      ILE  10  10.383   5.033   7.750
   80    H    ILE  11           HN       ILE  11   5.097   2.501   8.397
   81    HA   ILE  11           HA       ILE  11   3.341   3.172   7.168
   82    HB   ILE  11           HB       ILE  11   5.330   3.724   4.967
   83   1HG1  ILE  11          HG12      ILE  11   4.141   5.599   7.031
   84   2HG1  ILE  11          HG13      ILE  11   5.834   5.132   6.884
   85   1HG2  ILE  11          HG21      ILE  11   2.454   3.886   5.091
   86   2HG2  ILE  11          HG22      ILE  11   3.211   5.420   4.685
   87   3HG2  ILE  11          HG23      ILE  11   3.539   4.002   3.701
   88   1HD1  ILE  11          HD11      ILE  11   4.704   7.330   5.779
   89   2HD1  ILE  11          HD12      ILE  11   6.242   6.606   5.325
   90   3HD1  ILE  11          HD13      ILE  11   4.768   6.202   4.418
   91    H    ARG  12           HN       ARG  12   5.559   0.907   5.474
   92    HA   ARG  12           HA       ARG  12   3.578   0.318   3.561
   93   1HB   ARG  12          HB3       ARG  12   5.046  -0.824   2.413
   94   2HB   ARG  12          HB2       ARG  12   6.165   0.129   3.393
   95   1HG   ARG  12          HG2       ARG  12   6.344  -1.788   4.977
   96   2HG   ARG  12          HG3       ARG  12   5.329  -2.726   3.885
   97   1HD   ARG  12          HD2       ARG  12   8.087  -1.651   3.328
   98   2HD   ARG  12          HD3       ARG  12   7.616  -3.335   3.519
   99    HE   ARG  12           HE       ARG  12   6.312  -1.964   1.353
  100   1HH1  ARG  12          HH11      ARG  12   8.224  -5.082   1.409
  101   2HH1  ARG  12          HH12      ARG  12   9.505  -3.957   1.802
  102   1HH2  ARG  12          HH21      ARG  12   7.608  -2.217  -0.861
  103   2HH2  ARG  12          HH22      ARG  12   7.189  -3.905  -0.843
  104    H    HIS  13           HN       HIS  13   3.829  -1.256   6.648
  105    HA   HIS  13           HA       HIS  13   2.731  -3.509   5.177
  106   1HB   HIS  13          HB3       HIS  13   4.901  -3.714   6.480
  107   2HB   HIS  13          HB2       HIS  13   3.906  -3.668   7.941
  108    HD1  HIS  13           HD1      HIS  13   1.967  -5.638   8.041
  109    HD2  HIS  13           HD2      HIS  13   5.241  -6.276   5.540
  110    HE1  HIS  13           HE1      HIS  13   1.950  -8.078   7.503
  111    HE2  HIS  13           HE2      HIS  13   3.792  -8.400   5.843
  112    H    ASP  14           HN       ASP  14   0.763  -3.896   5.153
  113    HA   ASP  14           HA       ASP  14  -0.756  -4.423   7.504
  114   1HB   ASP  14          HB2       ASP  14  -1.019  -1.865   7.182
  115   2HB   ASP  14          HB3       ASP  14  -1.986  -2.293   5.773
  116    H    ALA  15           HN       ALA  15  -2.707  -5.509   7.018
  117    HA   ALA  15           HA       ALA  15  -2.725  -6.660   4.308
  118   1HB   ALA  15          HB1       ALA  15  -4.268  -7.673   6.689
  119   2HB   ALA  15          HB2       ALA  15  -3.816  -8.541   5.220
  120   3HB   ALA  15          HB3       ALA  15  -2.582  -8.104   6.401
  121    H    PHE  16           HN       PHE  16  -4.045  -5.764   2.945
  122    HA   PHE  16           HA       PHE  16  -6.579  -4.631   3.932
  123   1HB   PHE  16          HB2       PHE  16  -4.795  -3.880   1.650
  124   2HB   PHE  16          HB3       PHE  16  -6.454  -3.301   1.766
  125    HD1  PHE  16           HD1      PHE  16  -7.031  -2.226   4.126
  126    HD2  PHE  16           HD2      PHE  16  -3.141  -2.593   2.506
  127    HE1  PHE  16           HE1      PHE  16  -6.247  -0.355   5.530
  128    HE2  PHE  16           HE2      PHE  16  -2.368  -0.694   3.881
  129    HZ   PHE  16           HZ       PHE  16  -3.937   0.414   5.395
  130    H    GLN  17           HN       GLN  17  -8.034  -6.117   3.723
  131    HA   GLN  17           HA       GLN  17  -8.315  -7.595   1.193
  132   1HB   GLN  17          HB3       GLN  17  -8.512  -8.866   3.335
  133   2HB   GLN  17          HB2       GLN  17  -9.863  -7.837   3.785
  134   1HG   GLN  17          HG3       GLN  17 -11.149  -8.673   1.909
  135   2HG   GLN  17          HG2       GLN  17  -9.789  -9.678   1.398
  136   1HE2  GLN  17          HE21      GLN  17  -9.908 -11.717   2.051
  137   2HE2  GLN  17          HE22      GLN  17 -10.641 -12.268   3.514
  138    H    VAL  18           HN       VAL  18  -9.409  -6.515  -0.293
  139    HA   VAL  18           HA       VAL  18 -11.861  -5.173   0.414
  140    HB   VAL  18           HB       VAL  18 -10.293  -3.569   1.170
  141   1HG1  VAL  18          HG11      VAL  18  -8.633  -4.587  -0.712
  142   2HG1  VAL  18          HG12      VAL  18  -8.986  -2.999  -1.388
  143   3HG1  VAL  18          HG13      VAL  18  -8.302  -3.143   0.240
  144   1HG2  VAL  18          HG21      VAL  18 -10.906  -1.611  -0.153
  145   2HG2  VAL  18          HG22      VAL  18 -11.387  -2.652  -1.492
  146   3HG2  VAL  18          HG23      VAL  18 -12.279  -2.699   0.031
  147    H    TRP  19           HN       TRP  19 -12.901  -4.265  -1.289
  148    HA   TRP  19           HA       TRP  19 -13.103  -5.808  -3.556
  149   1HB   TRP  19          HB2       TRP  19 -14.118  -3.012  -3.105
  150   2HB   TRP  19          HB3       TRP  19 -14.845  -4.263  -4.112
  151    HD1  TRP  19           HD1      TRP  19 -15.966  -6.409  -2.733
  152    HE1  TRP  19           HE1      TRP  19 -17.083  -6.482  -0.428
  153    HE3  TRP  19           HE3      TRP  19 -13.990  -2.121  -0.714
  154    HZ2  TRP  19           HZ2      TRP  19 -17.071  -4.962   1.948
  155    HZ3  TRP  19           HZ3      TRP  19 -14.572  -1.534   1.589
  156    HH2  TRP  19           HH2      TRP  19 -16.095  -2.940   2.899
  157    H    GLU  20           HN       GLU  20 -11.735  -5.904  -5.152
  158    HA   GLU  20           HA       GLU  20 -10.187  -3.550  -5.961
  159   1HB   GLU  20          HB2       GLU  20  -9.050  -5.726  -5.436
  160   2HB   GLU  20          HB3       GLU  20  -9.852  -6.408  -6.840
  161   1HG   GLU  20          HG3       GLU  20  -8.295  -3.959  -7.285
  162   2HG   GLU  20          HG2       GLU  20  -7.396  -5.428  -6.907
  163    H    GLY  21           HN       GLY  21 -11.183  -2.377  -7.454
  164   1HA   GLY  21          HA1       GLY  21 -12.073  -1.797  -9.471
  165   2HA   GLY  21          HA2       GLY  21 -11.583  -3.385 -10.027
  166    H    ASP  22           HN       ASP  22 -13.087  -5.102  -9.986
  167    HA   ASP  22           HA       ASP  22 -15.807  -4.259 -10.455
  168   1HB   ASP  22          HB3       ASP  22 -14.752  -7.093 -10.241
  169   2HB   ASP  22          HB2       ASP  22 -16.248  -6.581 -11.017
  170    H    GLU  23           HN       GLU  23 -14.896  -3.828  -7.765
  171    HA   GLU  23           HA       GLU  23 -15.375  -4.025  -5.614
  172   1HB   GLU  23          HB3       GLU  23 -17.945  -4.326  -7.013
  173   2HB   GLU  23          HB2       GLU  23 -17.929  -4.632  -5.279
  174   1HG   GLU  23          HG2       GLU  23 -16.600  -2.348  -5.247
  175   2HG   GLU  23          HG3       GLU  23 -17.421  -2.127  -6.791
  176    HA   PRO  24           HA       PRO  24 -15.755  -8.616  -4.872
  177   1HB   PRO  24          HB2       PRO  24 -13.578  -9.843  -5.841
  178   2HB   PRO  24          HB3       PRO  24 -15.017  -9.599  -6.835
  179   1HG   PRO  24          HG3       PRO  24 -12.375  -8.292  -6.972
  180   2HG   PRO  24          HG2       PRO  24 -13.633  -8.372  -8.207
  181   1HD   PRO  24          HD3       PRO  24 -13.003  -6.218  -6.387
  182   2HD   PRO  24          HD2       PRO  24 -14.167  -6.231  -7.726
  183    HA   PRO  25           HA       PRO  25 -13.055  -7.484  -1.514
  184   1HB   PRO  25          HB3       PRO  25 -13.806  -9.949  -0.195
  185   2HB   PRO  25          HB2       PRO  25 -14.123  -8.284   0.255
  186   1HG   PRO  25          HG3       PRO  25 -16.074  -9.971  -0.614
  187   2HG   PRO  25          HG2       PRO  25 -16.128  -8.224  -0.896
  188   1HD   PRO  25          HD3       PRO  25 -15.326 -10.422  -2.789
  189   2HD   PRO  25          HD2       PRO  25 -16.270  -8.944  -3.113
  190    H    LYS  26           HN       LYS  26 -11.444  -7.856  -2.948
  191    HA   LYS  26           HA       LYS  26  -9.966 -10.350  -2.973
  192   1HB   LYS  26          HB2       LYS  26 -10.401  -8.805  -4.942
  193   2HB   LYS  26          HB3       LYS  26  -9.286  -7.679  -4.187
  194   1HG   LYS  26          HG3       LYS  26  -7.488  -9.251  -4.424
  195   2HG   LYS  26          HG2       LYS  26  -8.587 -10.483  -5.057
  196   1HD   LYS  26          HD2       LYS  26  -9.157  -8.874  -6.889
  197   2HD   LYS  26          HD3       LYS  26  -7.853  -7.834  -6.325
  198   1HE   LYS  26          HE2       LYS  26  -6.282  -9.721  -6.687
  199   2HE   LYS  26          HE3       LYS  26  -7.610 -10.627  -7.414
  200   1HZ   LYS  26          HZ1       LYS  26  -7.627  -8.204  -8.683
  201   2HZ   LYS  26          HZ2       LYS  26  -7.044  -9.676  -9.300
  202   3HZ   LYS  26          HZ3       LYS  26  -5.978  -8.599  -8.540
  203    H    LEU  27           HN       LEU  27  -8.682 -10.798  -1.344
  204    HA   LEU  27           HA       LEU  27  -7.656  -9.006   0.572
  205   1HB   LEU  27          HB3       LEU  27  -7.817 -11.708   0.324
  206   2HB   LEU  27          HB2       LEU  27  -6.118 -11.454  -0.018
  207    HG   LEU  27           HG       LEU  27  -7.577 -10.666   2.499
  208   1HD1  LEU  27          HD11      LEU  27  -5.428 -12.738   2.105
  209   2HD1  LEU  27          HD12      LEU  27  -6.302 -12.357   3.594
  210   3HD1  LEU  27          HD13      LEU  27  -7.158 -13.076   2.232
  211   1HD2  LEU  27          HD21      LEU  27  -5.499  -9.281   1.575
  212   2HD2  LEU  27          HD22      LEU  27  -5.809  -9.580   3.285
  213   3HD2  LEU  27          HD23      LEU  27  -4.645 -10.581   2.415
  214    H    ARG  28           HN       ARG  28  -5.723  -7.849   0.613
  215    HA   ARG  28           HA       ARG  28  -3.746  -8.354  -1.450
  216   1HB   ARG  28          HB3       ARG  28  -5.535  -6.065  -1.469
  217   2HB   ARG  28          HB2       ARG  28  -3.847  -5.592  -1.387
  218   1HG   ARG  28          HG3       ARG  28  -4.147  -5.669  -3.665
  219   2HG   ARG  28          HG2       ARG  28  -3.586  -7.315  -3.356
  220   1HD   ARG  28          HD3       ARG  28  -5.553  -7.226  -4.863
  221   2HD   ARG  28          HD2       ARG  28  -5.839  -8.156  -3.397
  222    HE   ARG  28           HE       ARG  28  -7.536  -6.761  -2.908
  223   1HH1  ARG  28          HH11      ARG  28  -6.061  -5.095  -5.741
  224   2HH1  ARG  28          HH12      ARG  28  -5.807  -3.715  -4.714
  225   1HH2  ARG  28          HH21      ARG  28  -8.973  -4.982  -3.309
  226   2HH2  ARG  28          HH22      ARG  28  -8.110  -3.485  -3.434
  227    H    TYR  29           HN       TYR  29  -1.733  -8.111  -0.747
  228    HA   TYR  29           HA       TYR  29  -1.301  -7.086   1.975
  229   1HB   TYR  29          HB2       TYR  29   0.393  -8.707   0.058
  230   2HB   TYR  29          HB3       TYR  29   1.053  -8.020   1.541
  231    HD1  TYR  29           HD1      TYR  29   1.411 -10.784   1.417
  232    HD2  TYR  29           HD2      TYR  29  -2.171  -8.721   2.425
  233    HE1  TYR  29           HE1      TYR  29   0.653 -12.739   2.682
  234    HE2  TYR  29           HE2      TYR  29  -2.930 -10.698   3.702
  235    HH   TYR  29           HH       TYR  29  -1.898 -13.612   3.393
  236    H    VAL  30           HN       VAL  30  -1.426  -4.842   1.609
  237    HA   VAL  30           HA       VAL  30  -0.042  -3.661  -0.621
  238    HB   VAL  30           HB       VAL  30  -1.427  -2.312   1.707
  239   1HG1  VAL  30          HG21      VAL  30  -1.650  -0.599  -0.398
  240   2HG1  VAL  30          HG22      VAL  30  -0.341  -0.520   0.776
  241   3HG1  VAL  30          HG23      VAL  30  -0.099  -1.343  -0.768
  242   1HG2  VAL  30          HG11      VAL  30  -2.495  -3.839  -0.438
  243   2HG2  VAL  30          HG12      VAL  30  -3.354  -2.943   0.816
  244   3HG2  VAL  30          HG13      VAL  30  -2.901  -2.146  -0.694
  245    H    PHE  31           HN       PHE  31   1.888  -2.691  -0.634
  246    HA   PHE  31           HA       PHE  31   3.255  -2.257   1.923
  247   1HB   PHE  31          HB3       PHE  31   4.437  -3.495  -0.574
  248   2HB   PHE  31          HB2       PHE  31   5.347  -3.075   0.866
  249    HD1  PHE  31           HD1      PHE  31   4.433  -4.246   3.097
  250    HD2  PHE  31           HD2      PHE  31   3.802  -5.626  -0.878
  251    HE1  PHE  31           HE1      PHE  31   4.072  -6.555   3.922
  252    HE2  PHE  31           HE2      PHE  31   3.457  -7.909  -0.048
  253    HZ   PHE  31           HZ       PHE  31   3.582  -8.367   2.346
  254    H    LEU  32           HN       LEU  32   3.423  -0.013   2.011
  255    HA   LEU  32           HA       LEU  32   4.709   1.196  -0.361
  256   1HB   LEU  32          HB2       LEU  32   3.665   3.393   0.593
  257   2HB   LEU  32          HB3       LEU  32   2.843   2.373  -0.557
  258    HG   LEU  32           HG       LEU  32   2.184   1.629   2.192
  259   1HD1  LEU  32          HD11      LEU  32   1.043   4.252   1.401
  260   2HD1  LEU  32          HD12      LEU  32   1.315   3.577   3.015
  261   3HD1  LEU  32          HD13      LEU  32   2.669   4.243   2.097
  262   1HD2  LEU  32          HD21      LEU  32   0.820   2.305  -0.392
  263   2HD2  LEU  32          HD22      LEU  32   0.694   0.847   0.594
  264   3HD2  LEU  32          HD23      LEU  32  -0.123   2.336   1.098
  265    H    PHE  33           HN       PHE  33   6.638   1.768  -0.004
  266    HA   PHE  33           HA       PHE  33   7.483   2.701   2.654
  267   1HB   PHE  33          HB2       PHE  33   8.750   0.950   0.657
  268   2HB   PHE  33          HB3       PHE  33   9.810   2.181   1.320
  269    HD1  PHE  33           HD1      PHE  33  10.995  -0.068   1.920
  270    HD2  PHE  33           HD2      PHE  33   7.460   1.324   3.791
  271    HE1  PHE  33           HE1      PHE  33  11.492  -1.453   3.879
  272    HE2  PHE  33           HE2      PHE  33   7.904  -0.113   5.740
  273    HZ   PHE  33           HZ       PHE  33   9.957  -1.508   5.794
  274    H    ARG  34           HN       ARG  34  10.046   3.415   0.894
  275    HA   ARG  34           HA       ARG  34   9.077   6.119   0.319
  276   1HB   ARG  34          HB3       ARG  34  11.831   5.019   0.818
  277   2HB   ARG  34          HB2       ARG  34  11.580   6.607   0.108
  278   1HG   ARG  34          HG2       ARG  34  10.365   7.342   2.056
  279   2HG   ARG  34          HG3       ARG  34  10.488   5.732   2.769
  280   1HD   ARG  34          HD2       ARG  34  12.130   7.456   3.603
  281   2HD   ARG  34          HD3       ARG  34  12.798   5.917   3.070
  282    HE   ARG  34           HE       ARG  34  12.892   7.678   0.900
  283   1HH1  ARG  34          HH12      ARG  34  14.452   8.729   4.041
  284   2HH1  ARG  34          HH11      ARG  34  15.304   7.219   3.837
  285   1HH2  ARG  34          HH21      ARG  34  14.838   9.300   0.722
  286   2HH2  ARG  34          HH22      ARG  34  16.081   8.113   1.029
  287    H    ASN  35           HN       ASN  35   9.785   3.278  -1.283
  288    HA   ASN  35           HA       ASN  35  10.737   4.593  -3.695
  289   1HB   ASN  35          HB2       ASN  35  10.304   1.653  -3.097
  290   2HB   ASN  35          HB3       ASN  35  10.897   2.283  -4.629
  291   1HD2  ASN  35          HD21      ASN  35  12.994   2.580  -4.875
  292   2HD2  ASN  35          HD22      ASN  35  14.181   2.618  -3.608
  293    H    LYS  36           HN       LYS  36   8.059   2.372  -2.870
  294    HA   LYS  36           HA       LYS  36   6.157   3.845  -4.360
  295   1HB   LYS  36          HB3       LYS  36   5.801   2.301  -6.231
  296   2HB   LYS  36          HB2       LYS  36   7.429   2.958  -6.248
  297   1HG   LYS  36          HG3       LYS  36   8.312   0.910  -5.348
  298   2HG   LYS  36          HG2       LYS  36   6.687   0.227  -5.269
  299   1HD   LYS  36          HD2       LYS  36   6.504   0.378  -7.719
  300   2HD   LYS  36          HD3       LYS  36   8.103   1.121  -7.797
  301   1HE   LYS  36          HE2       LYS  36   9.095  -0.882  -6.876
  302   2HE   LYS  36          HE3       LYS  36   7.509  -1.636  -6.737
  303   1HZ   LYS  36          HZ1       LYS  36   7.395  -1.254  -9.270
  304   2HZ   LYS  36          HZ2       LYS  36   8.404  -2.492  -8.710
  305   3HZ   LYS  36          HZ3       LYS  36   9.065  -1.007  -9.191
  306    H    ILE  37           HN       ILE  37   4.198   2.218  -4.849
  307    HA   ILE  37           HA       ILE  37   3.762   0.786  -2.317
  308    HB   ILE  37           HB       ILE  37   1.673   1.650  -4.319
  309   1HG1  ILE  37          HG12      ILE  37   2.482   3.031  -1.751
  310   2HG1  ILE  37          HG13      ILE  37   2.809   3.626  -3.374
  311   1HG2  ILE  37          HG21      ILE  37   0.446   0.204  -3.121
  312   2HG2  ILE  37          HG22      ILE  37   1.660   0.089  -1.845
  313   3HG2  ILE  37          HG23      ILE  37   0.490   1.420  -1.846
  314   1HD1  ILE  37          HD11      ILE  37   0.398   3.827  -1.768
  315   2HD1  ILE  37          HD12      ILE  37   0.904   4.775  -3.160
  316   3HD1  ILE  37          HD13      ILE  37   0.078   3.234  -3.393
  317    H    MET  38           HN       MET  38   4.103  -1.342  -2.487
  318    HA   MET  38           HA       MET  38   3.305  -2.671  -5.012
  319   1HB   MET  38          HB3       MET  38   5.287  -3.665  -2.949
  320   2HB   MET  38          HB2       MET  38   4.873  -4.475  -4.449
  321   1HG   MET  38          HG2       MET  38   5.814  -2.566  -5.687
  322   2HG   MET  38          HG3       MET  38   6.268  -1.832  -4.156
  323   1HE   MET  38          HE1       MET  38   6.382  -4.727  -6.359
  324   2HE   MET  38          HE2       MET  38   8.057  -5.270  -6.390
  325   3HE   MET  38          HE3       MET  38   6.962  -5.853  -5.134
  326    H    PHE  39           HN       PHE  39   1.421  -3.693  -4.813
  327    HA   PHE  39           HA       PHE  39   0.909  -5.043  -2.264
  328   1HB   PHE  39          HB2       PHE  39  -1.510  -4.676  -2.547
  329   2HB   PHE  39          HB3       PHE  39  -0.600  -3.194  -2.315
  330    HD1  PHE  39           HD1      PHE  39   0.093  -2.075  -4.710
  331    HD2  PHE  39           HD2      PHE  39  -3.200  -4.626  -3.996
  332    HE1  PHE  39           HE1      PHE  39  -1.040  -1.179  -6.691
  333    HE2  PHE  39           HE2      PHE  39  -4.359  -3.717  -5.946
  334    HZ   PHE  39           HZ       PHE  39  -3.277  -1.978  -7.302
  335    H    THR  40           HN       THR  40   1.246  -7.081  -2.575
  336    HA   THR  40           HA       THR  40   1.157  -8.343  -5.078
  337    HB   THR  40           HB       THR  40   1.438 -10.443  -3.744
  338    HG1  THR  40           HG1      THR  40   0.580 -10.265  -1.810
  339   1HG2  THR  40          HG21      THR  40   3.609  -9.984  -2.975
  340   2HG2  THR  40          HG22      THR  40   3.230  -8.288  -2.678
  341   3HG2  THR  40          HG23      THR  40   3.350  -8.883  -4.334
  342    H    GLU  41           HN       GLU  41  -0.262  -9.730  -6.031
  343    HA   GLU  41           HA       GLU  41  -2.996  -9.264  -5.426
  344   1HB   GLU  41          HB2       GLU  41  -1.583 -10.035  -7.622
  345   2HB   GLU  41          HB3       GLU  41  -2.418 -11.519  -7.180
  346   1HG   GLU  41          HG2       GLU  41  -3.838 -10.431  -8.670
  347   2HG   GLU  41          HG3       GLU  41  -4.516 -10.074  -7.088
  348    H    GLN  42           HN       GLN  42  -3.795 -10.149  -3.583
  349    HA   GLN  42           HA       GLN  42  -3.277 -12.998  -3.070
  350   1HB   GLN  42          HB2       GLN  42  -4.227 -10.744  -1.338
  351   2HB   GLN  42          HB3       GLN  42  -4.547 -12.408  -0.877
  352   1HG   GLN  42          HG3       GLN  42  -1.774 -11.436  -1.479
  353   2HG   GLN  42          HG2       GLN  42  -2.503 -11.270   0.119
  354   1HE2  GLN  42          HE21      GLN  42  -0.437 -13.073  -1.499
  355   2HE2  GLN  42          HE22      GLN  42  -0.659 -14.576  -0.662
  356    H    ASP  43           HN       ASP  43  -4.677 -13.375  -4.968
  357    HA   ASP  43           HA       ASP  43  -7.530 -12.890  -4.608
  358   1HB   ASP  43          HB3       ASP  43  -6.108 -12.685  -6.764
  359   2HB   ASP  43          HB2       ASP  43  -6.254 -14.435  -6.837
  360    H    ALA  44           HN       ALA  44  -6.849 -14.362  -2.598
  361    HA   ALA  44           HA       ALA  44  -8.433 -16.538  -2.389
  362   1HB   ALA  44          HB1       ALA  44  -7.420 -18.450  -3.030
  363   2HB   ALA  44          HB2       ALA  44  -6.653 -17.383  -4.205
  364   3HB   ALA  44          HB3       ALA  44  -5.801 -17.827  -2.720
  365    H    SER  45           HN       SER  45  -7.166 -18.313  -0.790
  366    HA   SER  45           HA       SER  45  -5.895 -16.619   1.258
  367   1HB   SER  45          HB2       SER  45  -8.202 -17.470   1.827
  368   2HB   SER  45          HB3       SER  45  -7.540 -19.103   1.775
  369    HG   SER  45           HG       SER  45  -5.977 -17.554   3.296
  370    H    THR  46           HN       THR  46  -3.857 -17.067   1.372
  371    HA   THR  46           HA       THR  46  -1.834 -18.049   1.321
  372    HB   THR  46           HB       THR  46  -1.567 -20.368   2.176
  373    HG1  THR  46           HG1      THR  46  -4.203 -20.532   1.546
  374   1HG2  THR  46          HG21      THR  46  -2.522 -20.013   4.410
  375   2HG2  THR  46          HG22      THR  46  -3.399 -18.618   3.792
  376   3HG2  THR  46          HG23      THR  46  -1.638 -18.618   3.804
  377    H    SER  47           HN       SER  47  -0.975 -18.047  -0.578
  378    HA   SER  47           HA       SER  47  -0.240 -18.702  -2.620
  379   1HB   SER  47          HB3       SER  47   0.149 -20.910  -1.548
  380   2HB   SER  47          HB2       SER  47  -1.508 -21.375  -1.936
  381    HG   SER  47           HG       SER  47  -1.003 -21.502  -4.046
  382    HA   PRO  48           HA       PRO  48  -4.494 -17.900  -4.259
  383   1HB   PRO  48          HB2       PRO  48  -3.950 -15.504  -5.394
  384   2HB   PRO  48          HB3       PRO  48  -4.317 -15.654  -3.669
  385   1HG   PRO  48          HG2       PRO  48  -1.660 -15.399  -5.018
  386   2HG   PRO  48          HG3       PRO  48  -2.274 -14.589  -3.565
  387   1HD   PRO  48          HD2       PRO  48  -0.630 -16.783  -3.469
  388   2HD   PRO  48          HD3       PRO  48  -1.825 -16.411  -2.207
  389    HA   PRO  49           HA       PRO  49  -3.230 -19.530  -8.225
  390   1HB   PRO  49          HB3       PRO  49  -5.654 -19.517  -9.445
  391   2HB   PRO  49          HB2       PRO  49  -5.232 -20.682  -8.183
  392   1HG   PRO  49          HG3       PRO  49  -6.782 -18.134  -7.955
  393   2HG   PRO  49          HG2       PRO  49  -7.145 -19.731  -7.282
  394   1HD   PRO  49          HD2       PRO  49  -6.037 -17.769  -5.804
  395   2HD   PRO  49          HD3       PRO  49  -5.647 -19.483  -5.547
  396    H    SER  50           HN       SER  50  -4.772 -16.488  -7.777
  397    HA   SER  50           HA       SER  50  -4.149 -15.681 -10.538
  398   1HB   SER  50          HB2       SER  50  -5.834 -14.266  -8.455
  399   2HB   SER  50          HB3       SER  50  -5.658 -13.801 -10.150
  400    HG   SER  50           HG       SER  50  -6.426 -16.127 -10.482
  401    H    TYR  51           HN       TYR  51  -2.036 -16.011  -8.621
  402    HA   TYR  51           HA       TYR  51  -1.353 -13.293  -7.822
  403   1HB   TYR  51          HB2       TYR  51  -0.951 -15.141  -6.235
  404   2HB   TYR  51          HB3       TYR  51   0.158 -15.874  -7.382
  405    HD1  TYR  51           HD1      TYR  51  -0.096 -12.249  -6.538
  406    HD2  TYR  51           HD2      TYR  51   2.157 -15.841  -6.114
  407    HE1  TYR  51           HE1      TYR  51   1.746 -10.974  -5.500
  408    HE2  TYR  51           HE2      TYR  51   4.028 -14.575  -5.194
  409    HH   TYR  51           HH       TYR  51   4.620 -12.603  -4.228
  410    H    THR  52           HN       THR  52  -1.522 -14.211 -10.631
  411    HA   THR  52           HA       THR  52   1.232 -14.136 -11.561
  412    HB   THR  52           HB       THR  52  -1.232 -13.848 -13.301
  413    HG1  THR  52           HG1      THR  52  -0.434 -16.007 -11.760
  414   1HG2  THR  52          HG21      THR  52   0.207 -15.310 -14.814
  415   2HG2  THR  52          HG22      THR  52   1.548 -14.902 -13.743
  416   3HG2  THR  52          HG23      THR  52   0.702 -13.628 -14.624
  417    H    HIS  53           HN       HIS  53  -1.094 -12.026 -10.509
  418    HA   HIS  53           HA       HIS  53  -0.184  -9.730 -12.077
  419   1HB   HIS  53          HB2       HIS  53  -2.523 -10.252 -10.277
  420   2HB   HIS  53          HB3       HIS  53  -1.983  -8.595 -10.493
  421    HD1  HIS  53           HD1      HIS  53  -2.804 -11.504 -12.816
  422    HD2  HIS  53           HD2      HIS  53  -3.392  -7.409 -12.442
  423    HE1  HIS  53           HE1      HIS  53  -4.180 -10.828 -14.820
  424    HE2  HIS  53           HE2      HIS  53  -4.636  -8.365 -14.503
  425    H    TYR  54           HN       TYR  54   1.457  -8.540 -11.327
  426    HA   TYR  54           HA       TYR  54   1.966  -8.515  -8.430
  427   1HB   TYR  54          HB3       TYR  54   3.790  -8.205 -10.789
  428   2HB   TYR  54          HB2       TYR  54   4.221  -7.517  -9.227
  429    HD1  TYR  54           HD1      TYR  54   3.012 -10.774 -10.661
  430    HD2  TYR  54           HD2      TYR  54   5.472  -8.787  -7.822
  431    HE1  TYR  54           HE1      TYR  54   3.861 -12.944  -9.890
  432    HE2  TYR  54           HE2      TYR  54   6.377 -10.948  -7.075
  433    HH   TYR  54           HH       TYR  54   6.433 -13.140  -7.444
  434    H    SER  55           HN       SER  55   0.129  -6.999  -8.414
  435    HA   SER  55           HA       SER  55   0.122  -4.529  -9.666
  436   1HB   SER  55          HB3       SER  55  -1.050  -5.403  -7.027
  437   2HB   SER  55          HB2       SER  55  -1.379  -3.836  -7.762
  438    HG   SER  55           HG       SER  55  -2.279  -6.363  -8.442
  439    H    SER  56           HN       SER  56   1.506  -2.952  -9.604
  440    HA   SER  56           HA       SER  56   2.668  -2.128  -7.046
  441   1HB   SER  56          HB3       SER  56   4.296  -2.579  -9.561
  442   2HB   SER  56          HB2       SER  56   4.908  -1.900  -8.049
  443    HG   SER  56           HG       SER  56   3.634  -4.387  -7.927
  444    H    ILE  57           HN       ILE  57   2.112  -0.127  -6.770
  445    HA   ILE  57           HA       ILE  57   1.783   1.695  -9.074
  446    HB   ILE  57           HB       ILE  57   0.495   1.500  -6.366
  447   1HG1  ILE  57          HG13      ILE  57  -0.504   1.748  -9.188
  448   2HG1  ILE  57          HG12      ILE  57  -0.673   0.396  -8.076
  449   1HG2  ILE  57          HG21      ILE  57   0.324   3.990  -8.050
  450   2HG2  ILE  57          HG22      ILE  57  -0.447   3.687  -6.491
  451   3HG2  ILE  57          HG23      ILE  57   1.305   3.823  -6.592
  452   1HD1  ILE  57          HD11      ILE  57  -2.303   2.822  -8.341
  453   2HD1  ILE  57          HD12      ILE  57  -2.730   1.207  -7.760
  454   3HD1  ILE  57          HD13      ILE  57  -1.921   2.336  -6.687
  455    H    ARG  58           HN       ARG  58   2.638   3.987  -8.711
  456    HA   ARG  58           HA       ARG  58   4.967   3.920  -6.953
  457   1HB   ARG  58          HB2       ARG  58   5.982   5.610  -8.284
  458   2HB   ARG  58          HB3       ARG  58   5.363   4.385  -9.386
  459   1HG   ARG  58          HG2       ARG  58   3.903   6.932  -8.768
  460   2HG   ARG  58          HG3       ARG  58   5.070   6.787 -10.077
  461   1HD   ARG  58          HD3       ARG  58   3.688   5.005 -11.077
  462   2HD   ARG  58          HD2       ARG  58   2.514   5.207  -9.772
  463    HE   ARG  58           HE       ARG  58   2.900   7.696 -10.936
  464   1HH1  ARG  58          HH11      ARG  58   1.946   4.584 -12.200
  465   2HH1  ARG  58          HH12      ARG  58   0.958   5.306 -13.445
  466   1HH2  ARG  58          HH22      ARG  58   0.435   8.225 -12.122
  467   2HH2  ARG  58          HH21      ARG  58   1.359   7.907 -13.569
  468    H    LEU  59           HN       LEU  59   5.438   6.084  -5.885
  469    HA   LEU  59           HA       LEU  59   3.088   7.032  -4.554
  470   1HB   LEU  59          HB2       LEU  59   5.950   7.135  -4.276
  471   2HB   LEU  59          HB3       LEU  59   5.197   8.683  -3.933
  472    HG   LEU  59           HG       LEU  59   5.461   7.374  -1.952
  473   1HD1  LEU  59          HD21      LEU  59   3.580   8.214  -1.099
  474   2HD1  LEU  59          HD22      LEU  59   3.165   8.655  -2.753
  475   3HD1  LEU  59          HD23      LEU  59   2.580   7.133  -2.075
  476   1HD2  LEU  59          HD11      LEU  59   5.088   5.183  -3.394
  477   2HD2  LEU  59          HD12      LEU  59   4.813   5.227  -1.649
  478   3HD2  LEU  59          HD13      LEU  59   3.459   5.397  -2.759
  479    H    ASP  60           HN       ASP  60   5.680   8.562  -6.409
  480    HA   ASP  60           HA       ASP  60   5.330  10.973  -6.874
  481   1HB   ASP  60          HB3       ASP  60   6.698   9.584  -8.301
  482   2HB   ASP  60          HB2       ASP  60   5.288   9.040  -9.203
  483    H    LYS  61           HN       LYS  61   3.478   9.476  -9.412
  484    HA   LYS  61           HA       LYS  61   1.476  11.554  -8.998
  485   1HB   LYS  61          HB3       LYS  61   2.541  10.199 -11.374
  486   2HB   LYS  61          HB2       LYS  61   0.840  10.636 -11.438
  487   1HG   LYS  61          HG2       LYS  61   2.356  12.376 -12.386
  488   2HG   LYS  61          HG3       LYS  61   1.341  12.938 -11.056
  489   1HD   LYS  61          HD2       LYS  61   3.127  12.907  -9.523
  490   2HD   LYS  61          HD3       LYS  61   4.159  12.000 -10.629
  491   1HE   LYS  61          HE3       LYS  61   4.065  13.957 -12.176
  492   2HE   LYS  61          HE2       LYS  61   3.259  14.836 -10.875
  493   1HZ   LYS  61          HZ1       LYS  61   5.958  14.623 -11.246
  494   2HZ   LYS  61          HZ2       LYS  61   5.659  13.552  -9.966
  495   3HZ   LYS  61          HZ3       LYS  61   5.201  15.190  -9.842
  496    H    TYR  62           HN       TYR  62   0.411  10.280  -7.293
  497    HA   TYR  62           HA       TYR  62  -1.825   8.890  -8.528
  498   1HB   TYR  62          HB3       TYR  62  -1.816   6.947  -7.271
  499   2HB   TYR  62          HB2       TYR  62  -0.087   7.201  -7.456
  500    HD1  TYR  62           HD1      TYR  62   1.031   8.572  -5.534
  501    HD2  TYR  62           HD2      TYR  62  -2.657   6.498  -5.134
  502    HE1  TYR  62           HE1      TYR  62   1.334   8.502  -3.098
  503    HE2  TYR  62           HE2      TYR  62  -2.371   6.427  -2.686
  504    HH   TYR  62           HH       TYR  62  -0.746   6.648  -1.019
  505    H    ASN  63           HN       ASN  63  -3.775   9.327  -7.490
  506    HA   ASN  63           HA       ASN  63  -3.546  11.418  -5.453
  507   1HB   ASN  63          HB3       ASN  63  -4.872  12.025  -7.371
  508   2HB   ASN  63          HB2       ASN  63  -5.900  10.615  -7.151
  509   1HD2  ASN  63          HD21      ASN  63  -7.806  11.631  -6.773
  510   2HD2  ASN  63          HD22      ASN  63  -8.088  12.826  -5.560
  511    H    ILE  64           HN       ILE  64  -3.561  10.711  -3.460
  512    HA   ILE  64           HA       ILE  64  -5.125   8.324  -2.793
  513    HB   ILE  64           HB       ILE  64  -2.764   8.352  -2.077
  514   1HG1  ILE  64          HG12      ILE  64  -3.209   7.790   0.358
  515   2HG1  ILE  64          HG13      ILE  64  -4.886   8.251   0.062
  516   1HG2  ILE  64          HG21      ILE  64  -3.587  10.837  -0.657
  517   2HG2  ILE  64          HG22      ILE  64  -2.400   9.797   0.121
  518   3HG2  ILE  64          HG23      ILE  64  -2.082  10.461  -1.484
  519   1HD1  ILE  64          HD11      ILE  64  -4.921   6.567  -1.789
  520   2HD1  ILE  64          HD12      ILE  64  -3.353   6.005  -1.224
  521   3HD1  ILE  64          HD13      ILE  64  -4.770   5.886  -0.170
  522    H    ARG  65           HN       ARG  65  -6.920   8.392  -1.570
  523    HA   ARG  65           HA       ARG  65  -7.538  10.913  -0.196
  524   1HB   ARG  65          HB3       ARG  65  -9.428   9.383  -1.990
  525   2HB   ARG  65          HB2       ARG  65  -9.862  10.776  -1.014
  526   1HG   ARG  65          HG2       ARG  65  -7.834  10.813  -3.242
  527   2HG   ARG  65          HG3       ARG  65  -9.522  11.312  -3.402
  528   1HD   ARG  65          HD3       ARG  65  -7.552  12.518  -1.463
  529   2HD   ARG  65          HD2       ARG  65  -7.975  13.220  -3.024
  530    HE   ARG  65           HE       ARG  65  -9.419  13.428  -0.598
  531   1HH1  ARG  65          HH11      ARG  65  -9.891  14.387  -3.999
  532   2HH1  ARG  65          HH12      ARG  65 -11.194  13.225  -4.090
  533   1HH2  ARG  65          HH21      ARG  65 -11.364  14.968  -0.915
  534   2HH2  ARG  65          HH22      ARG  65 -12.492  13.844  -1.625
  535    H    GLN  66           HN       GLN  66 -10.236   9.963   0.432
  536    HA   GLN  66           HA       GLN  66 -10.041   7.457   1.754
  537   1HB   GLN  66          HB3       GLN  66 -10.365   8.355   4.071
  538   2HB   GLN  66          HB2       GLN  66  -8.758   8.617   3.402
  539   1HG   GLN  66          HG2       GLN  66  -9.409  10.931   2.836
  540   2HG   GLN  66          HG3       GLN  66 -10.986  10.646   3.582
  541   1HE2  GLN  66          HE21      GLN  66 -11.163  11.343   5.544
  542   2HE2  GLN  66          HE22      GLN  66  -9.935  11.331   6.759
  543    H    HIS  67           HN       HIS  67 -12.031   6.816   2.724
  544    HA   HIS  67           HA       HIS  67 -14.336   8.557   2.200
  545   1HB   HIS  67          HB3       HIS  67 -13.796   5.897   0.952
  546   2HB   HIS  67          HB2       HIS  67 -15.458   6.367   1.296
  547    HD1  HIS  67           HD1      HIS  67 -15.680   9.174   0.396
  548    HD2  HIS  67           HD2      HIS  67 -13.352   6.416  -1.657
  549    HE1  HIS  67           HE1      HIS  67 -15.513  10.035  -1.963
  550    HE2  HIS  67           HE2      HIS  67 -13.874   8.515  -3.087
  551    H    THR  68           HN       THR  68 -16.414   6.966   2.736
  552    HA   THR  68           HA       THR  68 -17.640   5.884   4.300
  553    HB   THR  68           HB       THR  68 -14.974   5.156   5.517
  554    HG1  THR  68           HG1      THR  68 -16.479   4.157   3.443
  555   1HG2  THR  68          HG21      THR  68 -16.069   4.327   7.236
  556   2HG2  THR  68          HG22      THR  68 -16.841   3.193   6.125
  557   3HG2  THR  68          HG23      THR  68 -17.631   4.724   6.519
  558    H    THR  69           HN       THR  69 -18.710   6.563   6.140
  559    HA   THR  69           HA       THR  69 -18.234   9.186   7.000
  560    HB   THR  69           HB       THR  69 -19.966   7.101   8.334
  561    HG1  THR  69           HG1      THR  69 -20.380   8.761   6.055
  562   1HG2  THR  69          HG21      THR  69 -20.220   8.838   9.754
  563   2HG2  THR  69          HG22      THR  69 -21.408   9.304   8.533
  564   3HG2  THR  69          HG23      THR  69 -19.803  10.038   8.536
  565    H    ASP  70           HN       ASP  70 -18.026   6.177   8.926
  566    HA   ASP  70           HA       ASP  70 -16.689   7.647  11.036
  567   1HB   ASP  70          HB3       ASP  70 -18.412   5.907  11.548
  568   2HB   ASP  70          HB2       ASP  70 -17.324   4.694  10.880
  569    H    GLU  71           HN       GLU  71 -16.031   4.670   9.227
  570    HA   GLU  71           HA       GLU  71 -13.263   4.739   9.897
  571   1HB   GLU  71          HB2       GLU  71 -14.806   3.121   7.888
  572   2HB   GLU  71          HB3       GLU  71 -13.070   2.979   8.107
  573   1HG   GLU  71          HG2       GLU  71 -13.488   2.400  10.500
  574   2HG   GLU  71          HG3       GLU  71 -15.212   2.364  10.122
  575    H    ASP  72           HN       ASP  72 -11.523   5.058   8.489
  576    HA   ASP  72           HA       ASP  72 -12.161   6.872   6.275
  577   1HB   ASP  72          HB2       ASP  72  -9.625   6.609   7.916
  578   2HB   ASP  72          HB3       ASP  72  -9.838   7.722   6.565
  579    H    THR  73           HN       THR  73 -12.511   5.196   4.769
  580    HA   THR  73           HA       THR  73 -10.677   3.094   4.297
  581    HB   THR  73           HB       THR  73 -12.807   4.315   2.530
  582    HG1  THR  73           HG1      THR  73 -14.106   3.316   3.825
  583   1HG2  THR  73          HG21      THR  73 -12.800   2.375   1.201
  584   2HG2  THR  73          HG22      THR  73 -11.716   1.528   2.306
  585   3HG2  THR  73          HG23      THR  73 -11.114   2.868   1.329
  586    H    ILE  74           HN       ILE  74  -8.760   3.208   3.317
  587    HA   ILE  74           HA       ILE  74  -7.902   5.664   2.101
  588    HB   ILE  74           HB       ILE  74  -6.495   3.029   2.500
  589   1HG1  ILE  74          HG13      ILE  74  -6.992   4.249   4.572
  590   2HG1  ILE  74          HG12      ILE  74  -5.260   4.282   4.264
  591   1HG2  ILE  74          HG21      ILE  74  -4.573   3.856   1.648
  592   2HG2  ILE  74          HG22      ILE  74  -5.738   4.591   0.551
  593   3HG2  ILE  74          HG23      ILE  74  -5.038   5.540   1.871
  594   1HD1  ILE  74          HD11      ILE  74  -7.267   6.487   4.096
  595   2HD1  ILE  74          HD12      ILE  74  -5.706   6.445   4.919
  596   3HD1  ILE  74          HD13      ILE  74  -5.774   6.577   3.162
  597    H    VAL  75           HN       VAL  75  -8.665   6.086   0.122
  598    HA   VAL  75           HA       VAL  75  -8.836   3.921  -1.841
  599    HB   VAL  75           HB       VAL  75 -10.434   5.252  -3.010
  600   1HG1  VAL  75          HG11      VAL  75 -11.617   4.145  -1.386
  601   2HG1  VAL  75          HG12      VAL  75 -10.795   4.987  -0.072
  602   3HG1  VAL  75          HG13      VAL  75 -12.034   5.816  -1.003
  603   1HG2  VAL  75          HG21      VAL  75 -11.106   7.527  -1.979
  604   2HG2  VAL  75          HG22      VAL  75  -9.483   7.500  -1.293
  605   3HG2  VAL  75          HG23      VAL  75  -9.711   7.422  -3.045
  606    H    LEU  76           HN       LEU  76  -7.745   4.013  -3.751
  607    HA   LEU  76           HA       LEU  76  -5.839   6.194  -4.089
  608   1HB   LEU  76          HB2       LEU  76  -5.700   3.321  -5.004
  609   2HB   LEU  76          HB3       LEU  76  -4.592   4.563  -5.557
  610    HG   LEU  76           HG       LEU  76  -4.139   4.926  -3.004
  611   1HD1  LEU  76          HD11      LEU  76  -4.261   2.415  -2.044
  612   2HD1  LEU  76          HD12      LEU  76  -5.511   3.631  -1.771
  613   3HD1  LEU  76          HD13      LEU  76  -5.714   2.440  -3.045
  614   1HD2  LEU  76          HD21      LEU  76  -2.622   3.935  -4.838
  615   2HD2  LEU  76          HD22      LEU  76  -2.238   3.617  -3.146
  616   3HD2  LEU  76          HD23      LEU  76  -3.051   2.387  -4.116
  617    H    GLN  77           HN       GLN  77  -6.470   7.618  -5.513
  618    HA   GLN  77           HA       GLN  77  -8.179   6.776  -7.739
  619   1HB   GLN  77          HB3       GLN  77  -8.968   8.535  -6.197
  620   2HB   GLN  77          HB2       GLN  77  -7.620   9.550  -6.688
  621   1HG   GLN  77          HG2       GLN  77  -8.488   9.636  -8.943
  622   2HG   GLN  77          HG3       GLN  77  -9.791   8.531  -8.501
  623   1HE2  GLN  77          HE21      GLN  77  -9.035  11.712  -8.957
  624   2HE2  GLN  77          HE22      GLN  77 -10.173  12.474  -7.886
  625    HA   PRO  78           HA       PRO  78  -4.639   7.171 -10.420
  626   1HB   PRO  78          HB2       PRO  78  -6.046   6.825 -12.737
  627   2HB   PRO  78          HB3       PRO  78  -5.478   5.512 -11.706
  628   1HG   PRO  78          HG2       PRO  78  -8.185   6.733 -11.952
  629   2HG   PRO  78          HG3       PRO  78  -7.748   5.034 -11.681
  630   1HD   PRO  78          HD2       PRO  78  -8.653   6.674  -9.707
  631   2HD   PRO  78          HD3       PRO  78  -7.529   5.323  -9.428
  632    H    GLN  79           HN       GLN  79  -4.081   9.339 -10.212
  633    HA   GLN  79           HA       GLN  79  -5.681  11.403 -11.454
  634   1HB   GLN  79          HB3       GLN  79  -4.045  12.977 -10.723
  635   2HB   GLN  79          HB2       GLN  79  -4.266  11.812  -9.424
  636   1HG   GLN  79          HG2       GLN  79  -2.234  10.706 -10.006
  637   2HG   GLN  79          HG3       GLN  79  -2.019  11.757 -11.401
  638   1HE2  GLN  79          HE21      GLN  79  -0.767  13.462 -11.132
  639   2HE2  GLN  79          HE22      GLN  79  -0.482  14.303  -9.649
  640    H    GLU  80           HN       GLU  80  -3.690   9.070 -12.692
  641    HA   GLU  80           HA       GLU  80  -3.218  10.671 -15.101
  642   1HB   GLU  80          HB3       GLU  80  -1.301   8.746 -13.764
  643   2HB   GLU  80          HB2       GLU  80  -1.150   9.238 -15.442
  644   1HG   GLU  80          HG2       GLU  80  -1.097  11.136 -13.126
  645   2HG   GLU  80          HG3       GLU  80   0.335  10.452 -13.897
  646    HA   PRO  81           HA       PRO  81  -5.407   7.235 -16.888
  647   1HB   PRO  81          HB2       PRO  81  -4.585   7.468 -19.465
  648   2HB   PRO  81          HB3       PRO  81  -5.791   8.521 -18.723
  649   1HG   PRO  81          HG2       PRO  81  -2.898   9.015 -19.259
  650   2HG   PRO  81          HG3       PRO  81  -4.268  10.132 -19.396
  651   1HD   PRO  81          HD2       PRO  81  -2.539  10.147 -17.293
  652   2HD   PRO  81          HD3       PRO  81  -4.233  10.666 -17.180
  653    H    GLY  82           HN       GLY  82  -4.482   5.460 -16.000
  654   1HA   GLY  82          HA1       GLY  82  -3.318   3.513 -17.370
  655   2HA   GLY  82          HA2       GLY  82  -1.907   4.487 -16.994
  656    H    LEU  83           HN       LEU  83  -4.306   4.715 -14.674
  657    HA   LEU  83           HA       LEU  83  -2.992   2.666 -13.029
  658   1HB   LEU  83          HB3       LEU  83  -4.006   5.385 -12.233
  659   2HB   LEU  83          HB2       LEU  83  -3.791   4.083 -11.082
  660    HG   LEU  83           HG       LEU  83  -1.597   5.213 -12.784
  661   1HD1  LEU  83          HD21      LEU  83  -2.078   5.658  -9.844
  662   2HD1  LEU  83          HD22      LEU  83  -0.820   6.357 -10.865
  663   3HD1  LEU  83          HD23      LEU  83  -2.511   6.813 -11.111
  664   1HD2  LEU  83          HD11      LEU  83  -1.529   2.780 -11.890
  665   2HD2  LEU  83          HD12      LEU  83  -0.142   3.847 -11.637
  666   3HD2  LEU  83          HD13      LEU  83  -1.274   3.572 -10.333
  667    HA   PRO  84           HA       PRO  84  -7.077   1.053 -12.752
  668   1HB   PRO  84          HB2       PRO  84  -6.689  -0.741 -10.736
  669   2HB   PRO  84          HB3       PRO  84  -6.095  -1.012 -12.377
  670   1HG   PRO  84          HG2       PRO  84  -4.652  -0.131  -9.927
  671   2HG   PRO  84          HG3       PRO  84  -4.088  -1.183 -11.238
  672   1HD   PRO  84          HD3       PRO  84  -3.452   1.509 -10.977
  673   2HD   PRO  84          HD2       PRO  84  -3.366   0.610 -12.501
  674    H    SER  85           HN       SER  85  -8.857   0.910 -11.209
  675    HA   SER  85           HA       SER  85  -8.550   2.942  -9.088
  676   1HB   SER  85          HB2       SER  85 -11.144   1.941 -10.270
  677   2HB   SER  85          HB3       SER  85 -10.877   3.395  -9.301
  678    HG   SER  85           HG       SER  85  -9.570   3.040 -11.770
  679    H    PHE  86           HN       PHE  86  -8.252   2.107  -7.164
  680    HA   PHE  86           HA       PHE  86 -10.050   0.005  -6.267
  681   1HB   PHE  86          HB3       PHE  86  -8.470  -1.611  -5.674
  682   2HB   PHE  86          HB2       PHE  86  -7.823  -1.019  -7.199
  683    HD1  PHE  86           HD1      PHE  86  -6.077   1.006  -6.895
  684    HD2  PHE  86           HD2      PHE  86  -7.076  -1.877  -3.931
  685    HE1  PHE  86           HE1      PHE  86  -3.949   1.425  -5.779
  686    HE2  PHE  86           HE2      PHE  86  -4.929  -1.447  -2.793
  687    HZ   PHE  86           HZ       PHE  86  -3.365   0.204  -3.699
  688    H    ARG  87           HN       ARG  87 -10.104  -0.216  -3.976
  689    HA   ARG  87           HA       ARG  87  -8.923   2.037  -2.515
  690   1HB   ARG  87          HB3       ARG  87 -11.706   0.908  -2.116
  691   2HB   ARG  87          HB2       ARG  87 -10.986   2.209  -1.195
  692   1HG   ARG  87          HG3       ARG  87 -12.463   3.240  -2.664
  693   2HG   ARG  87          HG2       ARG  87 -10.873   3.485  -3.378
  694   1HD   ARG  87          HD3       ARG  87 -12.533   2.914  -5.062
  695   2HD   ARG  87          HD2       ARG  87 -11.264   1.699  -4.974
  696    HE   ARG  87           HE       ARG  87 -12.890   0.173  -4.581
  697   1HH1  ARG  87          HH12      ARG  87 -14.806   3.222  -3.388
  698   2HH1  ARG  87          HH11      ARG  87 -14.754   2.142  -2.019
  699   1HH2  ARG  87          HH22      ARG  87 -15.518  -0.159  -2.948
  700   2HH2  ARG  87          HH21      ARG  87 -15.868   0.170  -4.612
  701    H    ILE  88           HN       ILE  88  -8.426   1.398  -0.199
  702    HA   ILE  88           HA       ILE  88  -8.560  -1.531   0.119
  703    HB   ILE  88           HB       ILE  88  -6.433  -1.298   1.489
  704   1HG1  ILE  88          HG12      ILE  88  -6.334   1.314  -0.016
  705   2HG1  ILE  88          HG13      ILE  88  -6.376   1.119   1.734
  706   1HG2  ILE  88          HG21      ILE  88  -5.983  -0.716  -1.410
  707   2HG2  ILE  88          HG22      ILE  88  -5.220  -1.914  -0.364
  708   3HG2  ILE  88          HG23      ILE  88  -6.880  -2.154  -0.909
  709   1HD1  ILE  88          HD11      ILE  88  -4.174  -0.309   0.491
  710   2HD1  ILE  88          HD12      ILE  88  -4.118   1.424   0.205
  711   3HD1  ILE  88          HD13      ILE  88  -4.172   0.799   1.857
  712    H    LYS  89           HN       LYS  89  -9.826  -2.147   1.552
  713    HA   LYS  89           HA       LYS  89 -10.344  -0.549   3.966
  714   1HB   LYS  89          HB2       LYS  89 -12.000  -2.119   2.116
  715   2HB   LYS  89          HB3       LYS  89 -12.292  -2.512   3.798
  716   1HG   LYS  89          HG3       LYS  89 -12.351   0.326   2.845
  717   2HG   LYS  89          HG2       LYS  89 -13.746  -0.748   2.687
  718   1HD   LYS  89          HD2       LYS  89 -12.324  -0.059   5.270
  719   2HD   LYS  89          HD3       LYS  89 -13.901   0.550   4.771
  720   1HE   LYS  89          HE3       LYS  89 -14.782  -1.755   4.805
  721   2HE   LYS  89          HE2       LYS  89 -13.193  -2.343   5.284
  722   1HZ   LYS  89          HZ1       LYS  89 -13.574  -0.618   7.200
  723   2HZ   LYS  89          HZ2       LYS  89 -14.177  -2.202   7.301
  724   3HZ   LYS  89          HZ3       LYS  89 -15.194  -0.916   6.848
  725    HA   PRO  90           HA       PRO  90  -8.819  -4.104   6.259
  726   1HB   PRO  90          HB3       PRO  90  -9.516  -3.342   8.742
  727   2HB   PRO  90          HB2       PRO  90  -8.239  -2.493   7.853
  728   1HG   PRO  90          HG2       PRO  90 -11.043  -1.676   8.380
  729   2HG   PRO  90          HG3       PRO  90  -9.582  -0.687   8.253
  730   1HD   PRO  90          HD3       PRO  90 -11.505  -1.067   6.248
  731   2HD   PRO  90          HD2       PRO  90  -9.887  -0.371   6.010
  732    H    LYS  91           HN       LYS  91 -10.778  -5.097   4.948
  733    HA   LYS  91           HA       LYS  91 -13.331  -5.417   5.732
  734   1HB   LYS  91          HB3       LYS  91 -11.628  -6.655   3.937
  735   2HB   LYS  91          HB2       LYS  91 -12.200  -7.989   4.931
  736   1HG   LYS  91          HG3       LYS  91 -14.110  -6.018   3.753
  737   2HG   LYS  91          HG2       LYS  91 -13.512  -7.392   2.828
  738   1HD   LYS  91          HD2       LYS  91 -14.907  -7.564   5.499
  739   2HD   LYS  91          HD3       LYS  91 -15.690  -7.799   3.940
  740   1HE   LYS  91          HE2       LYS  91 -14.172  -9.693   3.505
  741   2HE   LYS  91          HE3       LYS  91 -13.471  -9.472   5.109
  742   1HZ   LYS  91          HZ1       LYS  91 -16.199  -9.585   5.485
  743   2HZ   LYS  91          HZ2       LYS  91 -15.074 -10.804   5.858
  744   3HZ   LYS  91          HZ3       LYS  91 -15.864 -10.794   4.355
  745    H    ASP  92           HN       ASP  92 -11.313  -8.249   6.427
  746    HA   ASP  92           HA       ASP  92 -12.469  -8.259   9.110
  747   1HB   ASP  92          HB2       ASP  92 -12.455 -10.707   9.034
  748   2HB   ASP  92          HB3       ASP  92 -13.467 -10.045   7.769
  749    H    PHE  93           HN       PHE  93 -11.094 -10.007  10.428
  750    HA   PHE  93           HA       PHE  93  -9.081 -10.662  11.343
  751   1HB   PHE  93          HB2       PHE  93  -8.133 -10.724   9.040
  752   2HB   PHE  93          HB3       PHE  93  -7.671  -9.038   9.212
  753    HD1  PHE  93           HD1      PHE  93  -7.453 -11.754  11.699
  754    HD2  PHE  93           HD2      PHE  93  -5.333  -9.118   9.126
  755    HE1  PHE  93           HE1      PHE  93  -5.325 -12.490  12.694
  756    HE2  PHE  93           HE2      PHE  93  -3.194  -9.868  10.118
  757    HZ   PHE  93           HZ       PHE  93  -3.197 -11.531  11.911
  758    H    GLU  94           HN       GLU  94  -9.452  -9.653  13.185
  759    HA   GLU  94           HA       GLU  94  -9.627  -6.944  13.702
  760   1HB   GLU  94          HB3       GLU  94  -8.648  -9.044  15.649
  761   2HB   GLU  94          HB2       GLU  94  -9.391  -7.503  16.054
  762   1HG   GLU  94          HG3       GLU  94 -11.489  -8.254  15.029
  763   2HG   GLU  94          HG2       GLU  94 -10.728  -9.800  14.648
  764    H    THR  95           HN       THR  95  -6.776  -9.051  13.907
  765    HA   THR  95           HA       THR  95  -5.114  -6.834  14.758
  766    HB   THR  95           HB       THR  95  -4.198  -9.525  13.743
  767    HG1  THR  95           HG1      THR  95  -5.480  -8.842  16.117
  768   1HG2  THR  95          HG21      THR  95  -2.964  -7.789  15.871
  769   2HG2  THR  95          HG22      THR  95  -2.467  -7.785  14.182
  770   3HG2  THR  95          HG23      THR  95  -2.295  -9.251  15.143
  771    H    SER  96           HN       SER  96  -5.905  -5.519  12.887
  772    HA   SER  96           HA       SER  96  -3.964  -5.252  10.921
  773   1HB   SER  96          HB3       SER  96  -5.318  -7.379  10.199
  774   2HB   SER  96          HB2       SER  96  -6.556  -6.215   9.739
  775    HG   SER  96           HG       SER  96  -4.647  -5.176   8.579
  776    H    GLU  97           HN       GLU  97  -7.351  -4.885  11.832
  777    HA   GLU  97           HA       GLU  97  -8.016  -2.589  10.379
  778   1HB   GLU  97          HB2       GLU  97  -8.978  -3.464  13.104
  779   2HB   GLU  97          HB3       GLU  97  -9.751  -2.217  12.137
  780   1HG   GLU  97          HG2       GLU  97 -10.283  -3.852  10.422
  781   2HG   GLU  97          HG3       GLU  97  -9.474  -5.113  11.351
  782    H    TYR  98           HN       TYR  98  -6.665  -2.859  13.651
  783    HA   TYR  98           HA       TYR  98  -6.609  -0.057  14.154
  784   1HB   TYR  98          HB2       TYR  98  -4.996  -2.273  15.447
  785   2HB   TYR  98          HB3       TYR  98  -5.113  -0.622  16.044
  786    HD1  TYR  98           HD1      TYR  98  -7.151  -3.659  15.336
  787    HD2  TYR  98           HD2      TYR  98  -6.861   0.027  17.459
  788    HE1  TYR  98           HE1      TYR  98  -9.184  -4.227  16.608
  789    HE2  TYR  98           HE2      TYR  98  -8.871  -0.561  18.760
  790    HH   TYR  98           HH       TYR  98 -11.000  -2.141  18.174
  791    H    VAL  99           HN       VAL  99  -4.475  -2.212  12.489
  792    HA   VAL  99           HA       VAL  99  -2.200  -0.471  12.504
  793    HB   VAL  99           HB       VAL  99  -2.821  -2.705  10.559
  794   1HG1  VAL  99          HG21      VAL  99  -0.909  -0.894  10.230
  795   2HG1  VAL  99          HG22      VAL  99  -0.052  -1.972  11.338
  796   3HG1  VAL  99          HG23      VAL  99  -0.682  -2.593   9.812
  797   1HG2  VAL  99          HG11      VAL  99  -0.972  -3.644  12.403
  798   2HG2  VAL  99          HG12      VAL  99  -2.185  -2.797  13.365
  799   3HG2  VAL  99          HG13      VAL  99  -2.674  -4.097  12.274
  800    H    ARG 100           HN       ARG 100  -4.958  -1.139  10.384
  801    HA   ARG 100           HA       ARG 100  -4.208   0.387   8.173
  802   1HB   ARG 100          HB2       ARG 100  -6.106  -1.116   8.122
  803   2HB   ARG 100          HB3       ARG 100  -6.962  -0.147   9.312
  804   1HG   ARG 100          HG2       ARG 100  -6.116   1.146   6.772
  805   2HG   ARG 100          HG3       ARG 100  -7.488   0.039   6.753
  806   1HD   ARG 100          HD2       ARG 100  -7.215   2.522   8.432
  807   2HD   ARG 100          HD3       ARG 100  -8.301   2.289   7.066
  808    HE   ARG 100           HE       ARG 100  -8.726   0.369   9.126
  809   1HH1  ARG 100          HH12      ARG 100 -10.172   3.344   7.726
  810   2HH1  ARG 100          HH11      ARG 100 -10.058   4.009   9.332
  811   1HH2  ARG 100          HH22      ARG 100 -10.665   1.458  11.017
  812   2HH2  ARG 100          HH21      ARG 100 -11.636   1.018   9.630
  813    H    LYS 101           HN       LYS 101  -5.607   1.331  11.260
  814    HA   LYS 101           HA       LYS 101  -6.315   3.998  10.655
  815   1HB   LYS 101          HB3       LYS 101  -5.609   2.555  13.207
  816   2HB   LYS 101          HB2       LYS 101  -5.987   4.265  13.204
  817   1HG   LYS 101          HG2       LYS 101  -8.151   3.757  12.218
  818   2HG   LYS 101          HG3       LYS 101  -7.757   2.041  12.283
  819   1HD   LYS 101          HD2       LYS 101  -9.185   2.665  14.167
  820   2HD   LYS 101          HD3       LYS 101  -7.600   2.142  14.742
  821   1HE   LYS 101          HE2       LYS 101  -6.977   4.573  14.892
  822   2HE   LYS 101          HE3       LYS 101  -8.643   4.943  14.454
  823   1HZ   LYS 101          HZ1       LYS 101  -8.959   3.243  16.515
  824   2HZ   LYS 101          HZ2       LYS 101  -9.025   4.935  16.604
  825   3HZ   LYS 101          HZ3       LYS 101  -7.591   4.122  16.988
  826    H    ALA 102           HN       ALA 102  -3.290   2.476  11.351
  827    HA   ALA 102           HA       ALA 102  -1.860   4.864  12.006
  828   1HB   ALA 102          HB1       ALA 102  -1.266   2.031  11.747
  829   2HB   ALA 102          HB2       ALA 102   0.013   3.024  11.046
  830   3HB   ALA 102          HB3       ALA 102  -0.468   3.259  12.727
  831    H    TRP 103           HN       TRP 103  -2.509   3.051   9.053
  832    HA   TRP 103           HA       TRP 103  -0.706   4.425   7.372
  833   1HB   TRP 103          HB3       TRP 103  -3.298   3.024   6.683
  834   2HB   TRP 103          HB2       TRP 103  -2.170   3.652   5.482
  835    HD1  TRP 103           HD1      TRP 103  -1.747   1.469   8.623
  836    HE1  TRP 103           HE1      TRP 103  -0.296  -0.564   8.026
  837    HE3  TRP 103           HE3      TRP 103  -0.925   2.441   3.662
  838    HZ2  TRP 103           HZ2      TRP 103   1.033  -1.556   5.774
  839    HZ3  TRP 103           HZ3      TRP 103   0.548   0.843   2.432
  840    HH2  TRP 103           HH2      TRP 103   1.460  -1.051   3.430
  841    H    LEU 104           HN       LEU 104  -3.712   5.332   8.785
  842    HA   LEU 104           HA       LEU 104  -4.498   7.385   6.974
  843   1HB   LEU 104          HB2       LEU 104  -5.098   6.770   9.850
  844   2HB   LEU 104          HB3       LEU 104  -5.535   8.333   9.199
  845    HG   LEU 104           HG       LEU 104  -7.083   7.332   7.647
  846   1HD1  LEU 104          HD11      LEU 104  -6.479   4.581   8.698
  847   2HD1  LEU 104          HD12      LEU 104  -7.314   5.060   7.215
  848   3HD1  LEU 104          HD13      LEU 104  -5.576   5.259   7.343
  849   1HD2  LEU 104          HD21      LEU 104  -7.476   5.810  10.178
  850   2HD2  LEU 104          HD22      LEU 104  -7.571   7.568  10.180
  851   3HD2  LEU 104          HD23      LEU 104  -8.688   6.615   9.187
  852    H    ARG 105           HN       ARG 105  -2.356   7.183   9.721
  853    HA   ARG 105           HA       ARG 105  -1.789  10.023   9.867
  854   1HB   ARG 105          HB2       ARG 105  -1.573   8.510  11.856
  855   2HB   ARG 105          HB3       ARG 105  -0.251   7.683  11.040
  856   1HG   ARG 105          HG3       ARG 105   0.706   9.200  12.603
  857   2HG   ARG 105          HG2       ARG 105   0.978   9.858  10.983
  858   1HD   ARG 105          HD3       ARG 105  -1.122  11.194  11.307
  859   2HD   ARG 105          HD2       ARG 105  -1.057  10.730  13.007
  860    HE   ARG 105           HE       ARG 105   1.432  11.777  12.270
  861   1HH1  ARG 105          HH11      ARG 105  -1.884  13.213  13.186
  862   2HH1  ARG 105          HH12      ARG 105  -1.410  14.271  11.881
  863   1HH2  ARG 105          HH22      ARG 105   1.217  14.448  13.830
  864   2HH2  ARG 105          HH21      ARG 105   1.267  14.728  12.114
  865    H    ASP 106           HN       ASP 106  -0.320   7.125   8.461
  866    HA   ASP 106           HA       ASP 106   2.085   8.293   7.593
  867   1HB   ASP 106          HB2       ASP 106   0.556   5.982   6.364
  868   2HB   ASP 106          HB3       ASP 106   2.228   6.406   6.027
  869    H    ILE 107           HN       ILE 107  -0.868   7.545   5.779
  870    HA   ILE 107           HA       ILE 107  -0.263   8.893   3.421
  871    HB   ILE 107           HB       ILE 107  -2.708   7.861   4.717
  872   1HG1  ILE 107          HG12      ILE 107  -3.076   7.021   2.356
  873   2HG1  ILE 107          HG13      ILE 107  -1.539   7.768   1.931
  874   1HG2  ILE 107          HG21      ILE 107  -2.979   9.847   2.468
  875   2HG2  ILE 107          HG22      ILE 107  -4.275   8.971   3.279
  876   3HG2  ILE 107          HG23      ILE 107  -3.351  10.197   4.155
  877   1HD1  ILE 107          HD11      ILE 107  -2.126   5.316   3.460
  878   2HD1  ILE 107          HD12      ILE 107  -0.813   5.663   2.340
  879   3HD1  ILE 107          HD13      ILE 107  -0.734   6.254   4.002
  880    H    ALA 108           HN       ALA 108  -1.730  10.125   6.376
  881    HA   ALA 108           HA       ALA 108  -2.600  12.588   5.454
  882   1HB   ALA 108          HB1       ALA 108  -3.213  12.931   7.586
  883   2HB   ALA 108          HB2       ALA 108  -2.632  11.292   7.863
  884   3HB   ALA 108          HB3       ALA 108  -1.578  12.665   8.193
  885    H    GLU 109           HN       GLU 109   0.546  11.704   6.827
  886    HA   GLU 109           HA       GLU 109   1.800  13.838   5.405
  887   1HB   GLU 109          HB3       GLU 109   2.630  15.026   7.485
  888   2HB   GLU 109          HB2       GLU 109   0.941  15.282   7.074
  889   1HG   GLU 109          HG3       GLU 109   0.178  14.180   8.887
  890   2HG   GLU 109          HG2       GLU 109   1.547  13.071   8.956
  891    H    GLU 110           HN       GLU 110   2.061  10.977   7.357
  892    HA   GLU 110           HA       GLU 110   4.734  11.301   8.054
  893   1HB   GLU 110          HB2       GLU 110   2.833   9.502   8.657
  894   2HB   GLU 110          HB3       GLU 110   3.893   8.546   7.625
  895   1HG   GLU 110          HG3       GLU 110   5.729   8.870   9.022
  896   2HG   GLU 110          HG2       GLU 110   4.982  10.249   9.819
  897    H    GLN 111           HN       GLN 111   3.258   9.844   5.201
  898    HA   GLN 111           HA       GLN 111   5.754   9.106   4.015
  899   1HB   GLN 111          HB3       GLN 111   4.409   8.835   1.922
  900   2HB   GLN 111          HB2       GLN 111   3.857   7.878   3.283
  901   1HG   GLN 111          HG3       GLN 111   2.101   9.560   3.694
  902   2HG   GLN 111          HG2       GLN 111   2.611  10.391   2.227
  903   1HE2  GLN 111          HE21      GLN 111   1.350   9.970   0.567
  904   2HE2  GLN 111          HE22      GLN 111   0.566   8.465   0.237
  905    H    GLU 112           HN       GLU 112   6.575  11.291   4.672
  906    HA   GLU 112           HA       GLU 112   5.978  13.723   3.618
  907   1HB   GLU 112          HB3       GLU 112   8.433  14.224   3.906
  908   2HB   GLU 112          HB2       GLU 112   7.623  13.538   5.312
  909   1HG   GLU 112          HG2       GLU 112   8.533  11.322   4.720
  910   2HG   GLU 112          HG3       GLU 112   9.358  12.044   3.337
  911    H    LYS 113           HN       LYS 113   7.628  11.116   1.922
  912    HA   LYS 113           HA       LYS 113   8.729  12.700  -0.150
  913   1HB   LYS 113          HB3       LYS 113   7.835   9.819  -0.332
  914   2HB   LYS 113          HB2       LYS 113   8.966  10.635  -1.400
  915   1HG   LYS 113          HG2       LYS 113   9.351   9.783   1.433
  916   2HG   LYS 113          HG3       LYS 113  10.309   9.376   0.011
  917   1HD   LYS 113          HD3       LYS 113  11.114  11.646  -0.124
  918   2HD   LYS 113          HD2       LYS 113  10.122  12.092   1.263
  919   1HE   LYS 113          HE3       LYS 113  11.405  10.559   2.684
  920   2HE   LYS 113          HE2       LYS 113  12.351  10.054   1.283
  921   1HZ   LYS 113          HZ1       LYS 113  12.310  12.769   2.458
  922   2HZ   LYS 113          HZ2       LYS 113  13.128  12.339   1.032
  923   3HZ   LYS 113          HZ3       LYS 113  13.576  11.659   2.521
  924    H    TYR 114           HN       TYR 114   5.540  11.440   0.393
  925    HA   TYR 114           HA       TYR 114   4.622  11.911  -2.274
  926   1HB   TYR 114          HB3       TYR 114   3.488  10.294  -0.842
  927   2HB   TYR 114          HB2       TYR 114   3.037  11.580   0.275
  928    HD1  TYR 114           HD1      TYR 114   2.778  10.961  -3.431
  929    HD2  TYR 114           HD2      TYR 114   0.855  12.302   0.128
  930    HE1  TYR 114           HE1      TYR 114   0.712  11.400  -4.705
  931    HE2  TYR 114           HE2      TYR 114  -1.215  12.673  -1.135
  932    HH   TYR 114           HH       TYR 114  -1.483  11.739  -4.518
  933    H    ALA 115           HN       ALA 115   3.825  13.451   0.801
  934    HA   ALA 115           HA       ALA 115   3.200  15.536   1.386
  935   1HB   ALA 115          HB1       ALA 115   4.394  17.394   0.285
  936   2HB   ALA 115          HB2       ALA 115   5.453  16.081   0.798
  937   3HB   ALA 115          HB3       ALA 115   5.027  16.248  -0.901
  938    H    ALA 116           HN       ALA 116   3.397  17.288  -1.413
  939    HA   ALA 116           HA       ALA 116   0.796  16.641  -2.473
  940   1HB   ALA 116          HB1       ALA 116   1.090  19.457  -1.563
  941   2HB   ALA 116          HB2       ALA 116  -0.376  18.507  -1.834
  942   3HB   ALA 116          HB3       ALA 116   0.603  18.226  -0.394
  943    H    GLU 117           HN       GLU 117   1.535  16.442  -4.523
  944    HA   GLU 117           HA       GLU 117   3.156  18.612  -5.629
  945   1HB   GLU 117          HB3       GLU 117   2.787  15.764  -6.326
  946   2HB   GLU 117          HB2       GLU 117   3.090  16.872  -7.654
  947   1HG   GLU 117          HG3       GLU 117   5.121  17.642  -6.321
  948   2HG   GLU 117          HG2       GLU 117   4.843  16.220  -5.317
  949    H    ARG 118           HN       ARG 118   2.716  19.351  -7.780
  950    HA   ARG 118           HA       ARG 118  -0.114  19.250  -8.542
  951   1HB   ARG 118          HB3       ARG 118   1.605  21.733  -8.300
  952   2HB   ARG 118          HB2       ARG 118   0.012  21.691  -9.034
  953   1HG   ARG 118          HG2       ARG 118  -1.051  21.241  -6.981
  954   2HG   ARG 118          HG3       ARG 118   0.483  20.866  -6.196
  955   1HD   ARG 118          HD3       ARG 118   1.170  23.148  -6.275
  956   2HD   ARG 118          HD2       ARG 118  -0.198  23.587  -7.295
  957    HE   ARG 118           HE       ARG 118  -1.364  23.951  -5.398
  958   1HH1  ARG 118          HH11      ARG 118   1.386  22.072  -3.706
  959   2HH1  ARG 118          HH12      ARG 118   0.216  20.792  -3.919
  960   1HH2  ARG 118          HH22      ARG 118  -2.282  22.795  -3.086
  961   2HH2  ARG 118          HH21      ARG 118  -0.902  23.521  -2.302
  962    H    ASP 119           HN       ASP 119   3.019  20.616  -9.516
  963    HA   ASP 119           HA       ASP 119   2.690  19.397 -12.158
  964   1HB   ASP 119          HB3       ASP 119   2.105  21.815 -12.273
  965   2HB   ASP 119          HB2       ASP 119   3.700  22.205 -11.644
  Start of MODEL   21
    1   1H    MET   1          HT1       MET   1  22.394  -7.012   9.914
    2   2H    MET   1          HT2       MET   1  23.098  -6.610  11.433
    3   3H    MET   1          HT3       MET   1  23.557  -5.744  10.018
    4    HA   MET   1           HA       MET   1  20.829  -5.798  11.123
    5   1HB   MET   1          HB2       MET   1  21.359  -3.543  11.994
    6   2HB   MET   1          HB3       MET   1  22.353  -4.782  12.741
    7   1HG   MET   1          HG3       MET   1  24.229  -4.166  11.344
    8   2HG   MET   1          HG2       MET   1  23.243  -2.981  10.494
    9   1HE   MET   1          HE1       MET   1  23.996  -4.314  13.839
   10   2HE   MET   1          HE2       MET   1  25.303  -3.215  14.305
   11   3HE   MET   1          HE3       MET   1  23.681  -2.966  14.932
   12    H    GLY   2           HN       GLY   2  20.255  -3.180  10.478
   13   1HA   GLY   2          HA1       GLY   2  20.497  -1.726   8.473
   14   2HA   GLY   2          HA2       GLY   2  20.513  -3.215   7.537
   15    H    ASP   3           HN       ASP   3  18.614  -4.553   7.617
   16    HA   ASP   3           HA       ASP   3  16.216  -2.933   7.426
   17   1HB   ASP   3          HB3       ASP   3  16.805  -5.815   6.720
   18   2HB   ASP   3          HB2       ASP   3  15.213  -5.088   6.557
   19    H    THR   4           HN       THR   4  16.778  -2.829   9.942
   20    HA   THR   4           HA       THR   4  15.813  -5.004  11.513
   21    HB   THR   4           HB       THR   4  16.217  -2.119  12.342
   22    HG1  THR   4           HG1      THR   4  18.066  -4.230  12.645
   23   1HG2  THR   4          HG21      THR   4  15.428  -4.464  13.803
   24   2HG2  THR   4          HG22      THR   4  15.540  -2.786  14.332
   25   3HG2  THR   4          HG23      THR   4  16.959  -3.832  14.398
   26    H    GLY   5           HN       GLY   5  13.798  -5.558  11.704
   27   1HA   GLY   5          HA2       GLY   5  11.651  -4.645  12.710
   28   2HA   GLY   5          HA1       GLY   5  11.696  -3.518  11.355
   29    H    LYS   6           HN       LYS   6  11.603  -6.886  12.258
   30    HA   LYS   6           HA       LYS   6  11.316  -8.121   9.834
   31   1HB   LYS   6          HB3       LYS   6   9.900  -8.839  12.409
   32   2HB   LYS   6          HB2       LYS   6   9.986  -9.876  10.998
   33   1HG   LYS   6          HG3       LYS   6  11.655 -10.723  12.358
   34   2HG   LYS   6          HG2       LYS   6  12.545  -9.664  11.264
   35   1HD   LYS   6          HD2       LYS   6  12.521  -7.903  12.969
   36   2HD   LYS   6          HD3       LYS   6  11.659  -8.988  14.060
   37   1HE   LYS   6          HE3       LYS   6  13.546 -10.582  13.890
   38   2HE   LYS   6          HE2       LYS   6  14.424  -9.391  12.935
   39   1HZ   LYS   6          HZ1       LYS   6  13.383  -8.498  15.507
   40   2HZ   LYS   6          HZ2       LYS   6  14.848  -8.124  14.739
   41   3HZ   LYS   6          HZ3       LYS   6  14.660  -9.597  15.559
   42    H    LEU   7           HN       LEU   7   8.619  -6.994  11.865
   43    HA   LEU   7           HA       LEU   7   6.986  -7.030   9.427
   44   1HB   LEU   7          HB3       LEU   7   6.139  -7.010  12.323
   45   2HB   LEU   7          HB2       LEU   7   5.037  -7.013  10.957
   46    HG   LEU   7           HG       LEU   7   7.010  -9.214  11.585
   47   1HD1  LEU   7          HD21      LEU   7   4.113  -9.656  11.830
   48   2HD1  LEU   7          HD22      LEU   7   5.445 -10.321  12.779
   49   3HD1  LEU   7          HD23      LEU   7   4.866  -8.681  13.097
   50   1HD2  LEU   7          HD11      LEU   7   6.452 -10.160   9.662
   51   2HD2  LEU   7          HD12      LEU   7   4.739  -9.856   9.889
   52   3HD2  LEU   7          HD13      LEU   7   5.771  -8.598   9.209
   53    H    GLY   8           HN       GLY   8   8.688  -4.965   9.547
   54   1HA   GLY   8          HA1       GLY   8   6.852  -2.743   9.723
   55   2HA   GLY   8          HA2       GLY   8   8.234  -2.646  10.807
   56    H    ARG   9           HN       ARG   9  10.347  -3.335   9.567
   57    HA   ARG   9           HA       ARG   9  11.955  -2.577   8.155
   58   1HB   ARG   9          HB3       ARG   9   9.758  -3.023   6.123
   59   2HB   ARG   9          HB2       ARG   9  11.478  -2.884   5.754
   60   1HG   ARG   9          HG2       ARG   9  11.776  -4.865   7.329
   61   2HG   ARG   9          HG3       ARG   9  10.034  -5.065   7.198
   62   1HD   ARG   9          HD2       ARG   9  10.125  -5.516   4.914
   63   2HD   ARG   9          HD3       ARG   9  11.757  -4.854   4.748
   64    HE   ARG   9           HE       ARG   9  12.579  -6.911   5.274
   65   1HH1  ARG   9          HH12      ARG   9   9.073  -7.804   5.438
   66   2HH1  ARG   9          HH11      ARG   9   9.244  -7.742   7.172
   67   1HH2  ARG   9          HH22      ARG   9  11.658  -9.570   5.488
   68   2HH2  ARG   9          HH21      ARG   9  11.923  -9.235   7.175
   69    H    ILE  10           HN       ILE  10  10.385  -1.198   5.675
   70    HA   ILE  10           HA       ILE  10  10.648   1.459   6.864
   71    HB   ILE  10           HB       ILE  10  12.186   1.299   5.079
   72   1HG1  ILE  10          HG12      ILE  10  11.358   3.013   3.485
   73   2HG1  ILE  10          HG13      ILE  10   9.730   2.776   4.116
   74   1HG2  ILE  10          HG21      ILE  10  11.991   0.151   3.208
   75   2HG2  ILE  10          HG22      ILE  10  10.586  -0.596   3.988
   76   3HG2  ILE  10          HG23      ILE  10  10.372   0.756   2.870
   77   1HD1  ILE  10          HD11      ILE  10  11.875   3.466   6.052
   78   2HD1  ILE  10          HD12      ILE  10  11.269   4.726   4.977
   79   3HD1  ILE  10          HD13      ILE  10  10.155   3.883   6.046
   80    H    ILE  11           HN       ILE  11   8.912   2.625   7.083
   81    HA   ILE  11           HA       ILE  11   6.805   3.316   7.144
   82    HB   ILE  11           HB       ILE  11   6.299   1.957   4.493
   83   1HG1  ILE  11          HG13      ILE  11   7.513   4.679   5.062
   84   2HG1  ILE  11          HG12      ILE  11   8.290   3.333   4.227
   85   1HG2  ILE  11          HG21      ILE  11   4.457   3.028   6.022
   86   2HG2  ILE  11          HG22      ILE  11   5.101   4.540   5.389
   87   3HG2  ILE  11          HG23      ILE  11   4.461   3.328   4.285
   88   1HD1  ILE  11          HD11      ILE  11   6.657   5.420   3.167
   89   2HD1  ILE  11          HD12      ILE  11   7.565   4.165   2.315
   90   3HD1  ILE  11          HD13      ILE  11   5.904   3.857   2.844
   91    H    ARG  12           HN       ARG  12   5.116   1.019   5.390
   92    HA   ARG  12           HA       ARG  12   4.941  -0.922   7.550
   93   1HB   ARG  12          HB2       ARG  12   3.281   1.217   7.727
   94   2HB   ARG  12          HB3       ARG  12   2.308   0.158   6.701
   95   1HG   ARG  12          HG2       ARG  12   1.678  -0.174   8.974
   96   2HG   ARG  12          HG3       ARG  12   2.537  -1.616   8.425
   97   1HD   ARG  12          HD2       ARG  12   3.276  -1.024  10.643
   98   2HD   ARG  12          HD3       ARG  12   4.591  -0.743   9.503
   99    HE   ARG  12           HE       ARG  12   3.000   1.601   9.986
  100   1HH1  ARG  12          HH11      ARG  12   6.429   0.826  10.263
  101   2HH1  ARG  12          HH12      ARG  12   6.030   0.086  11.782
  102   1HH2  ARG  12          HH21      ARG  12   4.652   3.427  10.775
  103   2HH2  ARG  12          HH22      ARG  12   4.609   2.920  12.444
  104    H    HIS  13           HN       HIS  13   3.640  -2.797   7.011
  105    HA   HIS  13           HA       HIS  13   2.700  -3.017   4.281
  106   1HB   HIS  13          HB2       HIS  13   4.060  -4.818   3.605
  107   2HB   HIS  13          HB3       HIS  13   5.172  -3.662   4.325
  108    HD1  HIS  13           HD1      HIS  13   5.339  -4.345   7.183
  109    HD2  HIS  13           HD2      HIS  13   4.824  -7.261   4.272
  110    HE1  HIS  13           HE1      HIS  13   6.230  -6.476   8.185
  111    HE2  HIS  13           HE2      HIS  13   5.984  -8.210   6.382
  112    H    ASP  14           HN       ASP  14   0.735  -3.756   4.460
  113    HA   ASP  14           HA       ASP  14   0.149  -6.022   6.208
  114   1HB   ASP  14          HB3       ASP  14  -0.237  -3.936   7.539
  115   2HB   ASP  14          HB2       ASP  14  -1.433  -3.438   6.339
  116    H    ALA  15           HN       ALA  15  -1.738  -7.168   5.613
  117    HA   ALA  15           HA       ALA  15  -2.667  -6.614   2.878
  118   1HB   ALA  15          HB1       ALA  15  -3.496  -8.896   2.860
  119   2HB   ALA  15          HB2       ALA  15  -1.786  -8.845   3.277
  120   3HB   ALA  15          HB3       ALA  15  -2.988  -9.110   4.535
  121    H    PHE  16           HN       PHE  16  -4.699  -6.115   2.384
  122    HA   PHE  16           HA       PHE  16  -6.661  -6.068   4.576
  123   1HB   PHE  16          HB2       PHE  16  -6.399  -4.176   2.223
  124   2HB   PHE  16          HB3       PHE  16  -7.730  -4.165   3.375
  125    HD1  PHE  16           HD1      PHE  16  -6.926  -4.073   5.891
  126    HD2  PHE  16           HD2      PHE  16  -4.700  -2.661   2.579
  127    HE1  PHE  16           HE1      PHE  16  -5.645  -2.597   7.392
  128    HE2  PHE  16           HE2      PHE  16  -3.397  -1.186   4.070
  129    HZ   PHE  16           HZ       PHE  16  -3.871  -1.153   6.479
  130    H    GLN  17           HN       GLN  17  -8.978  -6.050   3.606
  131    HA   GLN  17           HA       GLN  17  -9.024  -7.975   1.383
  132   1HB   GLN  17          HB3       GLN  17  -9.433  -9.106   3.529
  133   2HB   GLN  17          HB2       GLN  17 -10.750  -7.994   3.873
  134   1HG   GLN  17          HG3       GLN  17 -12.139  -8.946   2.276
  135   2HG   GLN  17          HG2       GLN  17 -10.798  -9.704   1.419
  136   1HE2  GLN  17          HE21      GLN  17 -10.762 -11.828   1.645
  137   2HE2  GLN  17          HE22      GLN  17 -11.055 -12.692   3.105
  138    H    VAL  18           HN       VAL  18  -9.215  -6.062   0.163
  139    HA   VAL  18           HA       VAL  18 -11.967  -5.208  -0.180
  140    HB   VAL  18           HB       VAL  18 -11.014  -2.832  -0.413
  141   1HG1  VAL  18          HG21      VAL  18 -11.402  -4.012   2.339
  142   2HG1  VAL  18          HG22      VAL  18 -11.636  -2.332   1.860
  143   3HG1  VAL  18          HG23      VAL  18 -12.706  -3.588   1.220
  144   1HG2  VAL  18          HG11      VAL  18  -8.765  -2.941  -0.141
  145   2HG2  VAL  18          HG12      VAL  18  -9.244  -2.616   1.524
  146   3HG2  VAL  18          HG13      VAL  18  -8.848  -4.262   1.021
  147    H    TRP  19           HN       TRP  19 -12.279  -3.993  -1.974
  148    HA   TRP  19           HA       TRP  19 -11.609  -5.058  -4.360
  149   1HB   TRP  19          HB2       TRP  19 -12.308  -2.171  -4.027
  150   2HB   TRP  19          HB3       TRP  19 -12.898  -3.321  -5.229
  151    HD1  TRP  19           HD1      TRP  19 -14.787  -5.094  -4.384
  152    HE1  TRP  19           HE1      TRP  19 -16.493  -4.965  -2.466
  153    HE3  TRP  19           HE3      TRP  19 -12.613  -1.417  -1.609
  154    HZ2  TRP  19           HZ2      TRP  19 -16.866  -3.491  -0.074
  155    HZ3  TRP  19           HZ3      TRP  19 -13.688  -0.676   0.477
  156    HH2  TRP  19           HH2      TRP  19 -15.788  -1.715   1.230
  157    H    GLU  20           HN       GLU  20 -10.055  -4.918  -5.752
  158    HA   GLU  20           HA       GLU  20  -8.242  -2.634  -5.915
  159   1HB   GLU  20          HB2       GLU  20  -7.123  -3.897  -4.266
  160   2HB   GLU  20          HB3       GLU  20  -7.360  -5.395  -5.137
  161   1HG   GLU  20          HG2       GLU  20  -5.040  -4.557  -5.136
  162   2HG   GLU  20          HG3       GLU  20  -5.708  -4.816  -6.741
  163    H    GLY  21           HN       GLY  21 -10.214  -3.535  -7.566
  164   1HA   GLY  21          HA1       GLY  21 -10.241  -3.408  -9.969
  165   2HA   GLY  21          HA2       GLY  21  -8.698  -4.244  -9.979
  166    H    ASP  22           HN       ASP  22 -11.112  -5.025 -11.368
  167    HA   ASP  22           HA       ASP  22 -12.381  -6.877 -11.763
  168   1HB   ASP  22          HB2       ASP  22 -10.178  -8.036 -11.699
  169   2HB   ASP  22          HB3       ASP  22 -10.358  -8.270  -9.964
  170    H    GLU  23           HN       GLU  23 -13.128  -5.081  -9.975
  171    HA   GLU  23           HA       GLU  23 -14.039  -4.624  -7.913
  172   1HB   GLU  23          HB3       GLU  23 -15.920  -6.016  -9.724
  173   2HB   GLU  23          HB2       GLU  23 -16.482  -5.459  -8.157
  174   1HG   GLU  23          HG2       GLU  23 -15.058  -3.699 -10.107
  175   2HG   GLU  23          HG3       GLU  23 -16.805  -3.848 -10.053
  176    HA   PRO  24           HA       PRO  24 -15.986  -8.687  -5.569
  177   1HB   PRO  24          HB2       PRO  24 -14.043 -10.369  -7.121
  178   2HB   PRO  24          HB3       PRO  24 -15.550 -10.835  -6.349
  179   1HG   PRO  24          HG2       PRO  24 -15.269 -10.220  -9.017
  180   2HG   PRO  24          HG3       PRO  24 -16.798 -10.168  -8.121
  181   1HD   PRO  24          HD3       PRO  24 -15.381  -7.987  -9.294
  182   2HD   PRO  24          HD2       PRO  24 -16.849  -7.910  -8.303
  183    HA   PRO  25           HA       PRO  25 -12.400  -7.417  -3.151
  184   1HB   PRO  25          HB3       PRO  25 -13.523  -8.218  -0.774
  185   2HB   PRO  25          HB2       PRO  25 -13.757  -6.653  -1.526
  186   1HG   PRO  25          HG3       PRO  25 -15.535  -9.043  -1.511
  187   2HG   PRO  25          HG2       PRO  25 -15.962  -7.322  -1.435
  188   1HD   PRO  25          HD3       PRO  25 -16.209  -8.783  -3.686
  189   2HD   PRO  25          HD2       PRO  25 -15.831  -7.055  -3.702
  190    H    LYS  26           HN       LYS  26 -10.639  -8.501  -2.941
  191    HA   LYS  26           HA       LYS  26 -10.701 -11.390  -2.540
  192   1HB   LYS  26          HB2       LYS  26  -8.683  -9.638  -3.851
  193   2HB   LYS  26          HB3       LYS  26  -8.512 -11.354  -3.638
  194   1HG   LYS  26          HG2       LYS  26 -10.254 -11.833  -5.140
  195   2HG   LYS  26          HG3       LYS  26 -10.846 -10.176  -5.092
  196   1HD   LYS  26          HD2       LYS  26  -8.823  -9.428  -6.272
  197   2HD   LYS  26          HD3       LYS  26  -8.263 -11.099  -6.352
  198   1HE   LYS  26          HE3       LYS  26 -10.164 -11.719  -7.711
  199   2HE   LYS  26          HE2       LYS  26 -10.862 -10.112  -7.536
  200   1HZ   LYS  26          HZ1       LYS  26  -9.821 -10.237  -9.649
  201   2HZ   LYS  26          HZ2       LYS  26  -8.389 -10.859  -8.992
  202   3HZ   LYS  26          HZ3       LYS  26  -8.824  -9.256  -8.674
  203    H    LEU  27           HN       LEU  27  -7.589 -10.469  -2.325
  204    HA   LEU  27           HA       LEU  27  -7.497  -9.679   0.433
  205   1HB   LEU  27          HB3       LEU  27  -7.600 -12.336  -0.037
  206   2HB   LEU  27          HB2       LEU  27  -5.888 -12.085  -0.283
  207    HG   LEU  27           HG       LEU  27  -7.364 -11.307   2.232
  208   1HD1  LEU  27          HD11      LEU  27  -6.795 -13.315   3.186
  209   2HD1  LEU  27          HD12      LEU  27  -7.170 -13.811   1.540
  210   3HD1  LEU  27          HD13      LEU  27  -5.487 -13.612   2.046
  211   1HD2  LEU  27          HD21      LEU  27  -5.484 -10.020   2.330
  212   2HD2  LEU  27          HD22      LEU  27  -4.844 -11.523   3.007
  213   3HD2  LEU  27          HD23      LEU  27  -4.544 -11.114   1.315
  214    H    ARG  28           HN       ARG  28  -6.448  -7.849  -0.400
  215    HA   ARG  28           HA       ARG  28  -4.151  -8.274  -2.143
  216   1HB   ARG  28          HB2       ARG  28  -5.423  -5.676  -1.293
  217   2HB   ARG  28          HB3       ARG  28  -4.275  -5.915  -2.605
  218   1HG   ARG  28          HG2       ARG  28  -7.034  -7.108  -2.495
  219   2HG   ARG  28          HG3       ARG  28  -6.584  -5.648  -3.384
  220   1HD   ARG  28          HD2       ARG  28  -5.489  -8.425  -3.845
  221   2HD   ARG  28          HD3       ARG  28  -6.654  -7.588  -4.870
  222    HE   ARG  28           HE       ARG  28  -4.194  -6.138  -4.521
  223   1HH1  ARG  28          HH12      ARG  28  -6.225  -7.658  -6.857
  224   2HH1  ARG  28          HH11      ARG  28  -4.918  -8.310  -7.794
  225   1HH2  ARG  28          HH22      ARG  28  -3.651  -5.758  -7.437
  226   2HH2  ARG  28          HH21      ARG  28  -2.514  -6.965  -6.952
  227    H    TYR  29           HN       TYR  29  -2.137  -8.128  -1.534
  228    HA   TYR  29           HA       TYR  29  -1.489  -7.491   1.223
  229   1HB   TYR  29          HB2       TYR  29   0.299  -8.350  -1.070
  230   2HB   TYR  29          HB3       TYR  29   0.783  -8.233   0.616
  231    HD1  TYR  29           HD1      TYR  29   1.490 -10.612  -0.439
  232    HD2  TYR  29           HD2      TYR  29  -2.423  -9.508   0.812
  233    HE1  TYR  29           HE1      TYR  29   0.933 -12.986  -0.139
  234    HE2  TYR  29           HE2      TYR  29  -2.992 -11.882   1.126
  235    HH   TYR  29           HH       TYR  29  -2.095 -13.960   1.359
  236    H    VAL  30           HN       VAL  30  -1.436  -5.332   1.604
  237    HA   VAL  30           HA       VAL  30  -0.369  -3.510  -0.400
  238    HB   VAL  30           HB       VAL  30  -1.443  -2.773   2.330
  239   1HG1  VAL  30          HG21      VAL  30  -0.317  -0.920   1.429
  240   2HG1  VAL  30          HG22      VAL  30  -0.880  -1.257  -0.200
  241   3HG1  VAL  30          HG23      VAL  30  -2.015  -0.643   1.003
  242   1HG2  VAL  30          HG11      VAL  30  -2.869  -3.548  -0.141
  243   2HG2  VAL  30          HG12      VAL  30  -3.365  -3.680   1.546
  244   3HG2  VAL  30          HG13      VAL  30  -3.459  -2.124   0.712
  245    H    PHE  31           HN       PHE  31   1.698  -3.212  -0.467
  246    HA   PHE  31           HA       PHE  31   3.240  -3.173   2.049
  247   1HB   PHE  31          HB2       PHE  31   4.194  -3.790  -0.754
  248   2HB   PHE  31          HB3       PHE  31   5.164  -3.865   0.709
  249    HD1  PHE  31           HD1      PHE  31   4.320  -5.504   2.531
  250    HD2  PHE  31           HD2      PHE  31   3.238  -5.673  -1.581
  251    HE1  PHE  31           HE1      PHE  31   3.792  -7.892   2.779
  252    HE2  PHE  31           HE2      PHE  31   2.732  -8.068  -1.337
  253    HZ   PHE  31           HZ       PHE  31   3.011  -9.178   0.839
  254    H    LEU  32           HN       LEU  32   4.182  -1.211   2.552
  255    HA   LEU  32           HA       LEU  32   4.640   0.575   0.261
  256   1HB   LEU  32          HB2       LEU  32   4.560   1.902   2.879
  257   2HB   LEU  32          HB3       LEU  32   3.964   2.423   1.312
  258    HG   LEU  32           HG       LEU  32   2.506   0.542   3.166
  259   1HD1  LEU  32          HD11      LEU  32   1.639   3.316   2.479
  260   2HD1  LEU  32          HD12      LEU  32   1.227   2.325   3.881
  261   3HD1  LEU  32          HD13      LEU  32   2.824   3.069   3.764
  262   1HD2  LEU  32          HD21      LEU  32   1.918   0.083   0.911
  263   2HD2  LEU  32          HD22      LEU  32   0.614   1.060   1.605
  264   3HD2  LEU  32          HD23      LEU  32   1.800   1.801   0.525
  265    H    PHE  33           HN       PHE  33   6.744   0.463  -0.142
  266    HA   PHE  33           HA       PHE  33   8.584   0.637   2.151
  267   1HB   PHE  33          HB3       PHE  33   8.933  -0.965  -0.395
  268   2HB   PHE  33          HB2       PHE  33  10.227  -0.669   0.757
  269    HD1  PHE  33           HD1      PHE  33   6.861  -2.224   0.456
  270    HD2  PHE  33           HD2      PHE  33  10.554  -2.103   2.550
  271    HE1  PHE  33           HE1      PHE  33   6.196  -4.212   1.743
  272    HE2  PHE  33           HE2      PHE  33   9.903  -4.105   3.812
  273    HZ   PHE  33           HZ       PHE  33   7.717  -5.157   3.421
  274    H    ARG  34           HN       ARG  34   8.954   2.718   2.087
  275    HA   ARG  34           HA       ARG  34   9.943   4.664   1.554
  276   1HB   ARG  34          HB3       ARG  34  11.029   3.127  -0.799
  277   2HB   ARG  34          HB2       ARG  34  11.299   4.850  -0.597
  278   1HG   ARG  34          HG2       ARG  34  12.275   4.304   1.672
  279   2HG   ARG  34          HG3       ARG  34  12.250   2.616   1.168
  280   1HD   ARG  34          HD2       ARG  34  14.441   3.697   0.804
  281   2HD   ARG  34          HD3       ARG  34  13.720   3.103  -0.695
  282    HE   ARG  34           HE       ARG  34  12.916   5.712  -0.523
  283   1HH1  ARG  34          HH12      ARG  34  16.448   4.437  -0.900
  284   2HH1  ARG  34          HH11      ARG  34  16.584   5.902   0.047
  285   1HH2  ARG  34          HH21      ARG  34  14.546   7.697  -1.090
  286   2HH2  ARG  34          HH22      ARG  34  14.733   6.906  -2.620
  287    H    ASN  35           HN       ASN  35  10.140   5.429  -1.465
  288    HA   ASN  35           HA       ASN  35   7.456   6.513  -1.443
  289   1HB   ASN  35          HB2       ASN  35   9.971   7.207  -2.836
  290   2HB   ASN  35          HB3       ASN  35   8.466   7.616  -3.658
  291   1HD2  ASN  35          HD21      ASN  35   7.446   9.348  -3.089
  292   2HD2  ASN  35          HD22      ASN  35   7.474  10.095  -1.539
  293    H    LYS  36           HN       LYS  36   6.803   4.152  -1.797
  294    HA   LYS  36           HA       LYS  36   5.531   4.027  -4.289
  295   1HB   LYS  36          HB3       LYS  36   6.539   2.122  -5.337
  296   2HB   LYS  36          HB2       LYS  36   7.796   3.321  -5.083
  297   1HG   LYS  36          HG2       LYS  36   8.892   2.052  -3.544
  298   2HG   LYS  36          HG3       LYS  36   7.432   1.205  -3.023
  299   1HD   LYS  36          HD3       LYS  36   8.866  -0.306  -4.267
  300   2HD   LYS  36          HD2       LYS  36   7.407   0.015  -5.195
  301   1HE   LYS  36          HE3       LYS  36   8.669   1.789  -6.424
  302   2HE   LYS  36          HE2       LYS  36  10.123   1.258  -5.589
  303   1HZ   LYS  36          HZ1       LYS  36  10.392  -0.115  -7.270
  304   2HZ   LYS  36          HZ2       LYS  36   8.822   0.121  -7.851
  305   3HZ   LYS  36          HZ3       LYS  36   9.105  -1.025  -6.639
  306    H    ILE  37           HN       ILE  37   4.084   2.241  -4.409
  307    HA   ILE  37           HA       ILE  37   3.788   0.766  -1.851
  308    HB   ILE  37           HB       ILE  37   1.592   1.809  -3.657
  309   1HG1  ILE  37          HG13      ILE  37   2.444   2.660  -0.885
  310   2HG1  ILE  37          HG12      ILE  37   2.602   3.596  -2.365
  311   1HG2  ILE  37          HG21      ILE  37   1.450  -0.443  -2.118
  312   2HG2  ILE  37          HG22      ILE  37   0.851   0.790  -1.006
  313   3HG2  ILE  37          HG23      ILE  37   0.064   0.560  -2.569
  314   1HD1  ILE  37          HD11      ILE  37  -0.145   2.877  -2.010
  315   2HD1  ILE  37          HD12      ILE  37   0.481   3.590  -0.524
  316   3HD1  ILE  37          HD13      ILE  37   0.596   4.477  -2.042
  317    H    MET  38           HN       MET  38   3.908  -1.385  -2.141
  318    HA   MET  38           HA       MET  38   3.675  -2.464  -4.869
  319   1HB   MET  38          HB2       MET  38   5.786  -2.843  -3.503
  320   2HB   MET  38          HB3       MET  38   4.803  -3.823  -2.426
  321   1HG   MET  38          HG3       MET  38   6.029  -5.215  -3.972
  322   2HG   MET  38          HG2       MET  38   4.295  -5.357  -4.243
  323   1HE   MET  38          HE1       MET  38   4.874  -6.579  -6.250
  324   2HE   MET  38          HE2       MET  38   5.275  -5.874  -7.818
  325   3HE   MET  38          HE3       MET  38   6.555  -6.250  -6.663
  326    H    PHE  39           HN       PHE  39   2.211  -4.057  -5.355
  327    HA   PHE  39           HA       PHE  39   0.395  -4.919  -3.191
  328   1HB   PHE  39          HB3       PHE  39  -0.130  -3.508  -5.685
  329   2HB   PHE  39          HB2       PHE  39  -1.204  -4.867  -5.385
  330    HD1  PHE  39           HD1      PHE  39  -2.672  -4.869  -3.446
  331    HD2  PHE  39           HD2      PHE  39  -0.186  -1.552  -4.358
  332    HE1  PHE  39           HE1      PHE  39  -4.050  -3.444  -1.991
  333    HE2  PHE  39           HE2      PHE  39  -1.558  -0.118  -2.908
  334    HZ   PHE  39           HZ       PHE  39  -3.490  -1.062  -1.719
  335    H    THR  40           HN       THR  40   0.778  -7.024  -2.981
  336    HA   THR  40           HA       THR  40   1.193  -8.653  -5.351
  337    HB   THR  40           HB       THR  40   1.077  -9.517  -2.456
  338    HG1  THR  40           HG1      THR  40   3.414  -9.480  -2.714
  339   1HG2  THR  40          HG21      THR  40   2.438 -11.412  -3.282
  340   2HG2  THR  40          HG22      THR  40   2.131 -10.859  -4.929
  341   3HG2  THR  40          HG23      THR  40   0.783 -11.382  -3.909
  342    H    GLU  41           HN       GLU  41  -0.304  -9.880  -6.249
  343    HA   GLU  41           HA       GLU  41  -3.033  -9.501  -5.426
  344   1HB   GLU  41          HB3       GLU  41  -2.535  -9.238  -7.733
  345   2HB   GLU  41          HB2       GLU  41  -1.736 -10.800  -7.803
  346   1HG   GLU  41          HG2       GLU  41  -3.656 -11.913  -8.113
  347   2HG   GLU  41          HG3       GLU  41  -4.547 -10.890  -6.983
  348    H    GLN  42           HN       GLN  42  -4.204 -10.792  -4.307
  349    HA   GLN  42           HA       GLN  42  -3.678 -13.674  -4.334
  350   1HB   GLN  42          HB2       GLN  42  -2.886 -12.788  -2.168
  351   2HB   GLN  42          HB3       GLN  42  -4.478 -12.100  -1.862
  352   1HG   GLN  42          HG2       GLN  42  -4.297 -14.129  -0.633
  353   2HG   GLN  42          HG3       GLN  42  -5.414 -14.409  -1.964
  354   1HE2  GLN  42          HE21      GLN  42  -2.209 -14.217  -2.973
  355   2HE2  GLN  42          HE22      GLN  42  -1.991 -15.898  -3.292
  356    H    ASP  43           HN       ASP  43  -5.351 -14.630  -5.227
  357    HA   ASP  43           HA       ASP  43  -7.902 -13.219  -5.259
  358   1HB   ASP  43          HB3       ASP  43  -6.952 -13.772  -7.436
  359   2HB   ASP  43          HB2       ASP  43  -6.917 -15.477  -7.000
  360    H    ALA  44           HN       ALA  44  -9.903 -14.472  -5.142
  361    HA   ALA  44           HA       ALA  44  -9.935 -17.074  -3.955
  362   1HB   ALA  44          HB1       ALA  44 -10.409 -14.665  -2.224
  363   2HB   ALA  44          HB2       ALA  44 -11.080 -16.243  -1.836
  364   3HB   ALA  44          HB3       ALA  44  -9.331 -16.029  -1.920
  365    H    SER  45           HN       SER  45 -11.137 -16.017  -6.215
  366    HA   SER  45           HA       SER  45 -13.885 -15.402  -5.519
  367   1HB   SER  45          HB2       SER  45 -12.825 -14.182  -7.394
  368   2HB   SER  45          HB3       SER  45 -12.604 -15.706  -8.247
  369    HG   SER  45           HG       SER  45 -14.489 -14.577  -8.947
  370    H    THR  46           HN       THR  46 -12.478 -17.693  -7.860
  371    HA   THR  46           HA       THR  46 -14.283 -19.779  -6.830
  372    HB   THR  46           HB       THR  46 -14.395 -20.516  -9.315
  373    HG1  THR  46           HG1      THR  46 -14.273 -17.891 -10.069
  374   1HG2  THR  46          HG21      THR  46 -16.412 -19.484  -9.592
  375   2HG2  THR  46          HG22      THR  46 -15.855 -17.959  -8.897
  376   3HG2  THR  46          HG23      THR  46 -16.196 -19.336  -7.848
  377    H    SER  47           HN       SER  47 -11.836 -19.583  -9.393
  378    HA   SER  47           HA       SER  47 -10.247 -21.608  -7.954
  379   1HB   SER  47          HB3       SER  47 -10.471 -21.211 -10.953
  380   2HB   SER  47          HB2       SER  47  -9.374 -22.334 -10.163
  381    HG   SER  47           HG       SER  47 -12.008 -22.616 -10.763
  382    HA   PRO  48           HA       PRO  48  -7.852 -17.721  -8.115
  383   1HB   PRO  48          HB3       PRO  48  -6.754 -17.981  -5.675
  384   2HB   PRO  48          HB2       PRO  48  -8.415 -17.430  -5.894
  385   1HG   PRO  48          HG3       PRO  48  -7.398 -20.154  -5.194
  386   2HG   PRO  48          HG2       PRO  48  -8.735 -19.240  -4.472
  387   1HD   PRO  48          HD2       PRO  48  -9.112 -21.188  -6.321
  388   2HD   PRO  48          HD3       PRO  48 -10.190 -19.781  -6.162
  389    HA   PRO  49           HA       PRO  49  -4.146 -19.998  -9.423
  390   1HB   PRO  49          HB2       PRO  49  -3.407 -17.511 -10.738
  391   2HB   PRO  49          HB3       PRO  49  -3.801 -19.077 -11.461
  392   1HG   PRO  49          HG3       PRO  49  -5.398 -16.896 -11.693
  393   2HG   PRO  49          HG2       PRO  49  -6.023 -18.554 -11.687
  394   1HD   PRO  49          HD2       PRO  49  -5.964 -16.543  -9.466
  395   2HD   PRO  49          HD3       PRO  49  -7.262 -17.664  -9.941
  396    H    SER  50           HN       SER  50  -4.493 -16.868  -7.942
  397    HA   SER  50           HA       SER  50  -3.338 -15.792  -6.320
  398   1HB   SER  50          HB3       SER  50  -3.024 -18.151  -5.429
  399   2HB   SER  50          HB2       SER  50  -1.443 -18.148  -6.218
  400    HG   SER  50           HG       SER  50  -0.742 -16.586  -4.854
  401    H    TYR  51           HN       TYR  51  -2.469 -14.073  -7.168
  402    HA   TYR  51           HA       TYR  51  -1.046 -12.581  -8.043
  403   1HB   TYR  51          HB2       TYR  51   0.466 -13.892  -6.372
  404   2HB   TYR  51          HB3       TYR  51   1.241 -14.499  -7.832
  405    HD1  TYR  51           HD1      TYR  51   3.159 -13.268  -6.433
  406    HD2  TYR  51           HD2      TYR  51   0.069 -11.276  -8.580
  407    HE1  TYR  51           HE1      TYR  51   4.520 -11.228  -6.498
  408    HE2  TYR  51           HE2      TYR  51   1.417  -9.227  -8.635
  409    HH   TYR  51           HH       TYR  51   3.390  -8.274  -7.035
  410    H    THR  52           HN       THR  52  -2.392 -13.551 -10.005
  411    HA   THR  52           HA       THR  52  -0.533 -14.476 -12.065
  412    HB   THR  52           HB       THR  52  -2.994 -14.336 -13.254
  413    HG1  THR  52           HG1      THR  52  -4.526 -14.507 -11.811
  414   1HG2  THR  52          HG21      THR  52  -2.226 -16.717 -11.609
  415   2HG2  THR  52          HG22      THR  52  -1.339 -16.269 -13.064
  416   3HG2  THR  52          HG23      THR  52  -3.060 -16.658 -13.164
  417    H    HIS  53           HN       HIS  53  -1.405 -11.693 -10.763
  418    HA   HIS  53           HA       HIS  53  -0.916 -10.186 -13.202
  419   1HB   HIS  53          HB2       HIS  53  -3.233  -9.982 -13.230
  420   2HB   HIS  53          HB3       HIS  53  -3.360 -10.007 -11.479
  421    HD1  HIS  53           HD1      HIS  53  -3.588  -7.830 -10.313
  422    HD2  HIS  53           HD2      HIS  53  -2.358  -7.387 -14.270
  423    HE1  HIS  53           HE1      HIS  53  -3.633  -5.353 -10.774
  424    HE2  HIS  53           HE2      HIS  53  -2.754  -5.098 -13.119
  425    H    TYR  54           HN       TYR  54   0.655  -8.794 -12.871
  426    HA   TYR  54           HA       TYR  54   1.772  -8.331 -10.281
  427   1HB   TYR  54          HB3       TYR  54   2.364  -6.920 -12.892
  428   2HB   TYR  54          HB2       TYR  54   3.393  -6.944 -11.463
  429    HD1  TYR  54           HD1      TYR  54   3.851  -9.519 -10.649
  430    HD2  TYR  54           HD2      TYR  54   3.085  -8.232 -14.634
  431    HE1  TYR  54           HE1      TYR  54   4.977 -11.520 -11.505
  432    HE2  TYR  54           HE2      TYR  54   4.186 -10.253 -15.503
  433    HH   TYR  54           HH       TYR  54   4.723 -12.917 -13.878
  434    H    SER  55           HN       SER  55   1.735  -6.433  -9.030
  435    HA   SER  55           HA       SER  55   0.105  -4.218 -10.023
  436   1HB   SER  55          HB2       SER  55  -0.375  -5.422  -7.303
  437   2HB   SER  55          HB3       SER  55  -1.342  -4.211  -8.149
  438    HG   SER  55           HG       SER  55  -1.266  -6.182  -9.799
  439    H    SER  56           HN       SER  56   1.169  -2.409  -9.753
  440    HA   SER  56           HA       SER  56   2.728  -2.000  -7.302
  441   1HB   SER  56          HB2       SER  56   4.186  -2.695  -9.254
  442   2HB   SER  56          HB3       SER  56   3.710  -1.197 -10.047
  443    HG   SER  56           HG       SER  56   4.886  -0.054  -8.658
  444    H    ILE  57           HN       ILE  57   2.896   0.229  -6.693
  445    HA   ILE  57           HA       ILE  57   1.136   2.062  -8.192
  446    HB   ILE  57           HB       ILE  57   1.096   1.413  -5.257
  447   1HG1  ILE  57          HG12      ILE  57  -0.364   0.169  -6.887
  448   2HG1  ILE  57          HG13      ILE  57  -1.229   0.969  -5.577
  449   1HG2  ILE  57          HG21      ILE  57  -0.782   3.410  -5.587
  450   2HG2  ILE  57          HG22      ILE  57   0.767   3.570  -4.768
  451   3HG2  ILE  57          HG23      ILE  57   0.624   4.013  -6.474
  452   1HD1  ILE  57          HD11      ILE  57  -1.307   1.456  -8.462
  453   2HD1  ILE  57          HD12      ILE  57  -2.539   1.689  -7.231
  454   3HD1  ILE  57          HD13      ILE  57  -1.270   2.897  -7.454
  455    H    ARG  58           HN       ARG  58   2.222   3.867  -8.719
  456    HA   ARG  58           HA       ARG  58   4.726   4.525  -7.490
  457   1HB   ARG  58          HB2       ARG  58   4.623   6.604  -8.888
  458   2HB   ARG  58          HB3       ARG  58   4.459   5.131  -9.821
  459   1HG   ARG  58          HG3       ARG  58   2.103   5.472 -10.080
  460   2HG   ARG  58          HG2       ARG  58   2.134   6.823  -8.953
  461   1HD   ARG  58          HD3       ARG  58   2.038   7.762 -11.112
  462   2HD   ARG  58          HD2       ARG  58   3.680   7.993 -10.532
  463    HE   ARG  58           HE       ARG  58   3.500   5.631 -12.093
  464   1HH1  ARG  58          HH11      ARG  58   3.426   9.193 -12.541
  465   2HH1  ARG  58          HH12      ARG  58   4.798   9.035 -13.598
  466   1HH2  ARG  58          HH22      ARG  58   5.209   6.516 -14.411
  467   2HH2  ARG  58          HH21      ARG  58   3.589   6.628 -15.012
  468    H    LEU  59           HN       LEU  59   4.934   5.555  -5.601
  469    HA   LEU  59           HA       LEU  59   2.619   6.808  -4.421
  470   1HB   LEU  59          HB2       LEU  59   4.252   5.397  -3.142
  471   2HB   LEU  59          HB3       LEU  59   5.425   6.686  -3.325
  472    HG   LEU  59           HG       LEU  59   3.879   8.196  -2.079
  473   1HD1  LEU  59          HD11      LEU  59   2.191   5.810  -2.284
  474   2HD1  LEU  59          HD12      LEU  59   2.263   6.504  -0.667
  475   3HD1  LEU  59          HD13      LEU  59   1.738   7.507  -2.033
  476   1HD2  LEU  59          HD21      LEU  59   5.731   7.007  -0.974
  477   2HD2  LEU  59          HD22      LEU  59   4.354   7.301   0.095
  478   3HD2  LEU  59          HD23      LEU  59   4.621   5.691  -0.582
  479    H    ASP  60           HN       ASP  60   4.328   7.878  -6.742
  480    HA   ASP  60           HA       ASP  60   5.097  10.486  -5.818
  481   1HB   ASP  60          HB2       ASP  60   4.819   9.212  -8.549
  482   2HB   ASP  60          HB3       ASP  60   5.129  10.933  -8.373
  483    H    LYS  61           HN       LYS  61   3.316  10.529  -8.670
  484    HA   LYS  61           HA       LYS  61   1.178  11.944  -7.272
  485   1HB   LYS  61          HB3       LYS  61   1.961  12.220 -10.170
  486   2HB   LYS  61          HB2       LYS  61   0.792  13.208  -9.299
  487   1HG   LYS  61          HG2       LYS  61   2.859  13.629  -7.708
  488   2HG   LYS  61          HG3       LYS  61   3.759  13.225  -9.173
  489   1HD   LYS  61          HD3       LYS  61   3.430  15.629  -8.988
  490   2HD   LYS  61          HD2       LYS  61   2.554  15.000 -10.387
  491   1HE   LYS  61          HE3       LYS  61   1.211  16.620  -9.191
  492   2HE   LYS  61          HE2       LYS  61   0.478  15.025  -9.067
  493   1HZ   LYS  61          HZ1       LYS  61   1.900  14.991  -6.856
  494   2HZ   LYS  61          HZ2       LYS  61   0.352  15.675  -6.909
  495   3HZ   LYS  61          HZ3       LYS  61   1.714  16.668  -6.984
  496    H    TYR  62           HN       TYR  62  -0.373  10.663  -6.833
  497    HA   TYR  62           HA       TYR  62  -1.935   9.592  -9.023
  498   1HB   TYR  62          HB3       TYR  62  -2.353   7.481  -7.923
  499   2HB   TYR  62          HB2       TYR  62  -0.611   7.683  -8.041
  500    HD1  TYR  62           HD1      TYR  62  -3.464   7.482  -5.756
  501    HD2  TYR  62           HD2      TYR  62   0.738   8.057  -6.050
  502    HE1  TYR  62           HE1      TYR  62  -3.251   7.092  -3.344
  503    HE2  TYR  62           HE2      TYR  62   0.957   7.673  -3.627
  504    HH   TYR  62           HH       TYR  62  -0.229   7.603  -1.659
  505    H    ASN  63           HN       ASN  63  -4.265   9.443  -8.297
  506    HA   ASN  63           HA       ASN  63  -4.745  11.610  -6.428
  507   1HB   ASN  63          HB3       ASN  63  -5.931  11.265  -8.732
  508   2HB   ASN  63          HB2       ASN  63  -6.913  10.093  -7.863
  509   1HD2  ASN  63          HD21      ASN  63  -5.963  12.514  -5.764
  510   2HD2  ASN  63          HD22      ASN  63  -7.434  13.428  -5.795
  511    H    ILE  64           HN       ILE  64  -5.505  11.346  -4.439
  512    HA   ILE  64           HA       ILE  64  -6.556   8.718  -3.692
  513    HB   ILE  64           HB       ILE  64  -4.153   8.730  -3.140
  514   1HG1  ILE  64          HG12      ILE  64  -5.923   8.805  -0.692
  515   2HG1  ILE  64          HG13      ILE  64  -5.889   7.467  -1.841
  516   1HG2  ILE  64          HG21      ILE  64  -3.364  10.148  -1.281
  517   2HG2  ILE  64          HG22      ILE  64  -3.821  11.085  -2.703
  518   3HG2  ILE  64          HG23      ILE  64  -4.905  11.010  -1.321
  519   1HD1  ILE  64          HD11      ILE  64  -4.410   7.652   0.416
  520   2HD1  ILE  64          HD12      ILE  64  -4.010   6.647  -0.982
  521   3HD1  ILE  64          HD13      ILE  64  -3.279   8.243  -0.805
  522    H    ARG  65           HN       ARG  65  -8.127   8.697  -2.271
  523    HA   ARG  65           HA       ARG  65  -8.717  11.084  -0.682
  524   1HB   ARG  65          HB3       ARG  65 -10.816   9.584  -2.252
  525   2HB   ARG  65          HB2       ARG  65 -11.121  10.897  -1.141
  526   1HG   ARG  65          HG2       ARG  65  -9.584  11.111  -3.724
  527   2HG   ARG  65          HG3       ARG  65 -11.249  11.642  -3.454
  528   1HD   ARG  65          HD3       ARG  65 -10.499  13.254  -1.797
  529   2HD   ARG  65          HD2       ARG  65  -8.845  12.678  -1.953
  530    HE   ARG  65           HE       ARG  65  -9.797  13.570  -4.463
  531   1HH1  ARG  65          HH12      ARG  65  -7.305  14.931  -2.195
  532   2HH1  ARG  65          HH11      ARG  65  -8.656  15.787  -1.490
  533   1HH2  ARG  65          HH21      ARG  65  -9.629  16.170  -4.852
  534   2HH2  ARG  65          HH22      ARG  65  -7.915  16.220  -4.555
  535    H    GLN  66           HN       GLN  66  -9.398  10.573   1.314
  536    HA   GLN  66           HA       GLN  66  -9.283   7.736   1.929
  537   1HB   GLN  66          HB3       GLN  66  -8.918   8.409   4.241
  538   2HB   GLN  66          HB2       GLN  66  -7.786   9.171   3.139
  539   1HG   GLN  66          HG2       GLN  66 -10.221  10.686   3.898
  540   2HG   GLN  66          HG3       GLN  66  -8.930  10.498   5.083
  541   1HE2  GLN  66          HE21      GLN  66  -7.404  11.921   5.085
  542   2HE2  GLN  66          HE22      GLN  66  -6.975  12.960   3.766
  543    H    HIS  67           HN       HIS  67 -10.746   8.822   4.506
  544    HA   HIS  67           HA       HIS  67 -13.374   9.363   4.135
  545   1HB   HIS  67          HB3       HIS  67 -12.858   6.597   3.345
  546   2HB   HIS  67          HB2       HIS  67 -14.056   6.705   4.625
  547    HD1  HIS  67           HD1      HIS  67 -16.012   8.665   3.974
  548    HD2  HIS  67           HD2      HIS  67 -13.972   6.753   0.890
  549    HE1  HIS  67           HE1      HIS  67 -17.403   9.023   1.908
  550    HE2  HIS  67           HE2      HIS  67 -16.260   7.667   0.113
  551    H    THR  68           HN       THR  68 -14.435   9.543   6.027
  552    HA   THR  68           HA       THR  68 -13.013   8.575   8.407
  553    HB   THR  68           HB       THR  68 -15.119  10.736   8.372
  554    HG1  THR  68           HG1      THR  68 -12.979  10.954   7.007
  555   1HG2  THR  68          HG21      THR  68 -14.165   9.656  10.514
  556   2HG2  THR  68          HG22      THR  68 -14.299  11.411  10.413
  557   3HG2  THR  68          HG23      THR  68 -12.740  10.629  10.164
  558    H    THR  69           HN       THR  69 -16.119   9.695   9.078
  559    HA   THR  69           HA       THR  69 -17.939   8.680   9.968
  560    HB   THR  69           HB       THR  69 -17.831   6.911   7.522
  561    HG1  THR  69           HG1      THR  69 -18.266   9.694   7.760
  562   1HG2  THR  69          HG21      THR  69 -19.943   6.448   8.020
  563   2HG2  THR  69          HG22      THR  69 -20.338   8.168   7.907
  564   3HG2  THR  69          HG23      THR  69 -19.844   7.476   9.448
  565    H    ASP  70           HN       ASP  70 -15.985   7.788  11.384
  566    HA   ASP  70           HA       ASP  70 -15.085   6.164  12.659
  567   1HB   ASP  70          HB2       ASP  70 -17.918   5.213  12.325
  568   2HB   ASP  70          HB3       ASP  70 -16.787   4.563  13.497
  569    H    GLU  71           HN       GLU  71 -14.746   5.715   9.765
  570    HA   GLU  71           HA       GLU  71 -13.874   2.957   9.944
  571   1HB   GLU  71          HB3       GLU  71 -15.879   3.890   7.904
  572   2HB   GLU  71          HB2       GLU  71 -14.775   2.567   7.565
  573   1HG   GLU  71          HG3       GLU  71 -15.662   1.395   9.562
  574   2HG   GLU  71          HG2       GLU  71 -16.873   2.671   9.711
  575    H    ASP  72           HN       ASP  72 -11.788   3.519   9.752
  576    HA   ASP  72           HA       ASP  72 -10.780   5.529   8.066
  577   1HB   ASP  72          HB3       ASP  72  -9.373   3.083   9.154
  578   2HB   ASP  72          HB2       ASP  72  -8.583   4.509   8.480
  579    H    THR  73           HN       THR  73 -10.454   5.592   5.980
  580    HA   THR  73           HA       THR  73 -10.199   3.100   4.458
  581    HB   THR  73           HB       THR  73 -12.227   5.281   4.186
  582    HG1  THR  73           HG1      THR  73 -12.690   3.381   5.403
  583   1HG2  THR  73          HG21      THR  73 -11.795   5.228   1.976
  584   2HG2  THR  73          HG22      THR  73 -12.928   3.878   2.097
  585   3HG2  THR  73          HG23      THR  73 -11.192   3.566   2.007
  586    H    ILE  74           HN       ILE  74  -9.156   3.266   2.448
  587    HA   ILE  74           HA       ILE  74  -7.886   5.830   1.744
  588    HB   ILE  74           HB       ILE  74  -6.482   3.141   1.812
  589   1HG1  ILE  74          HG13      ILE  74  -6.745   4.217   4.030
  590   2HG1  ILE  74          HG12      ILE  74  -5.059   4.172   3.517
  591   1HG2  ILE  74          HG21      ILE  74  -5.193   3.986   0.190
  592   2HG2  ILE  74          HG22      ILE  74  -5.944   5.578   0.329
  593   3HG2  ILE  74          HG23      ILE  74  -4.603   5.137   1.386
  594   1HD1  ILE  74          HD11      ILE  74  -6.836   6.498   3.947
  595   2HD1  ILE  74          HD12      ILE  74  -5.098   6.328   4.201
  596   3HD1  ILE  74          HD13      ILE  74  -5.734   6.596   2.583
  597    H    VAL  75           HN       VAL  75  -8.940   6.280  -0.098
  598    HA   VAL  75           HA       VAL  75  -9.420   4.156  -2.075
  599    HB   VAL  75           HB       VAL  75 -10.559   6.964  -1.925
  600   1HG1  VAL  75          HG21      VAL  75 -10.260   5.916  -4.227
  601   2HG1  VAL  75          HG22      VAL  75 -11.513   4.777  -3.741
  602   3HG1  VAL  75          HG23      VAL  75 -11.865   6.510  -3.800
  603   1HG2  VAL  75          HG11      VAL  75 -11.267   4.724  -0.458
  604   2HG2  VAL  75          HG12      VAL  75 -12.255   6.167  -0.710
  605   3HG2  VAL  75          HG13      VAL  75 -12.442   4.768  -1.765
  606    H    LEU  76           HN       LEU  76  -8.119   4.020  -3.791
  607    HA   LEU  76           HA       LEU  76  -6.475   6.355  -4.454
  608   1HB   LEU  76          HB2       LEU  76  -6.067   3.415  -4.923
  609   2HB   LEU  76          HB3       LEU  76  -5.176   4.610  -5.845
  610    HG   LEU  76           HG       LEU  76  -4.413   5.547  -3.594
  611   1HD1  LEU  76          HD11      LEU  76  -5.309   2.839  -2.634
  612   2HD1  LEU  76          HD12      LEU  76  -4.447   4.076  -1.704
  613   3HD1  LEU  76          HD13      LEU  76  -6.103   4.365  -2.251
  614   1HD2  LEU  76          HD21      LEU  76  -3.117   4.052  -5.230
  615   2HD2  LEU  76          HD22      LEU  76  -2.521   4.203  -3.578
  616   3HD2  LEU  76          HD23      LEU  76  -3.419   2.765  -4.062
  617    H    GLN  77           HN       GLN  77  -6.728   7.414  -6.270
  618    HA   GLN  77           HA       GLN  77  -8.384   6.231  -8.409
  619   1HB   GLN  77          HB2       GLN  77  -8.291   9.166  -7.646
  620   2HB   GLN  77          HB3       GLN  77  -9.308   8.441  -8.884
  621   1HG   GLN  77          HG3       GLN  77 -10.475   7.168  -7.162
  622   2HG   GLN  77          HG2       GLN  77  -9.461   7.922  -5.932
  623   1HE2  GLN  77          HE21      GLN  77 -12.403   7.985  -7.208
  624   2HE2  GLN  77          HE22      GLN  77 -12.800   9.673  -7.166
  625    HA   PRO  78           HA       PRO  78  -4.799   7.305 -10.754
  626   1HB   PRO  78          HB2       PRO  78  -5.605   6.527 -13.176
  627   2HB   PRO  78          HB3       PRO  78  -5.297   5.386 -11.866
  628   1HG   PRO  78          HG2       PRO  78  -7.863   6.316 -13.007
  629   2HG   PRO  78          HG3       PRO  78  -7.459   4.767 -12.253
  630   1HD   PRO  78          HD2       PRO  78  -8.795   6.967 -11.051
  631   2HD   PRO  78          HD3       PRO  78  -8.221   5.495 -10.243
  632    H    GLN  79           HN       GLN  79  -3.903   8.900 -11.869
  633    HA   GLN  79           HA       GLN  79  -5.660  10.945 -13.086
  634   1HB   GLN  79          HB2       GLN  79  -2.763  11.477 -12.829
  635   2HB   GLN  79          HB3       GLN  79  -4.127  12.543 -12.541
  636   1HG   GLN  79          HG3       GLN  79  -4.454  11.625 -10.347
  637   2HG   GLN  79          HG2       GLN  79  -3.228  10.395 -10.651
  638   1HE2  GLN  79          HE21      GLN  79  -1.868  12.793 -12.183
  639   2HE2  GLN  79          HE22      GLN  79  -1.070  13.660 -10.919
  640    H    GLU  80           HN       GLU  80  -4.058   8.292 -13.668
  641    HA   GLU  80           HA       GLU  80  -3.668   8.806 -16.492
  642   1HB   GLU  80          HB3       GLU  80  -1.502   9.094 -15.088
  643   2HB   GLU  80          HB2       GLU  80  -1.553   7.347 -14.928
  644   1HG   GLU  80          HG3       GLU  80  -0.086   7.796 -16.711
  645   2HG   GLU  80          HG2       GLU  80  -1.581   7.219 -17.445
  646    HA   PRO  81           HA       PRO  81  -5.756   4.835 -16.605
  647   1HB   PRO  81          HB3       PRO  81  -4.034   4.134 -18.905
  648   2HB   PRO  81          HB2       PRO  81  -5.798   4.184 -18.787
  649   1HG   PRO  81          HG3       PRO  81  -4.400   6.049 -20.115
  650   2HG   PRO  81          HG2       PRO  81  -5.896   6.418 -19.260
  651   1HD   PRO  81          HD2       PRO  81  -3.088   7.042 -18.504
  652   2HD   PRO  81          HD3       PRO  81  -4.579   7.940 -18.165
  653    H    GLY  82           HN       GLY  82  -2.252   4.932 -16.930
  654   1HA   GLY  82          HA1       GLY  82  -1.888   2.179 -16.107
  655   2HA   GLY  82          HA2       GLY  82  -0.620   3.374 -16.350
  656    H    LEU  83           HN       LEU  83  -3.437   2.984 -14.274
  657    HA   LEU  83           HA       LEU  83  -2.074   2.809 -11.799
  658   1HB   LEU  83          HB3       LEU  83  -1.958   5.351 -12.601
  659   2HB   LEU  83          HB2       LEU  83  -3.628   5.373 -12.087
  660    HG   LEU  83           HG       LEU  83  -2.207   6.287 -10.366
  661   1HD1  LEU  83          HD11      LEU  83  -4.167   4.495  -9.962
  662   2HD1  LEU  83          HD12      LEU  83  -2.851   3.718  -9.086
  663   3HD1  LEU  83          HD13      LEU  83  -3.346   5.362  -8.672
  664   1HD2  LEU  83          HD21      LEU  83  -0.395   4.328 -11.156
  665   2HD2  LEU  83          HD22      LEU  83  -0.202   5.495  -9.848
  666   3HD2  LEU  83          HD23      LEU  83  -0.863   3.896  -9.513
  667    HA   PRO  84           HA       PRO  84  -6.245   1.149 -11.874
  668   1HB   PRO  84          HB2       PRO  84  -5.622  -0.333  -9.502
  669   2HB   PRO  84          HB3       PRO  84  -5.863  -0.933 -11.137
  670   1HG   PRO  84          HG2       PRO  84  -3.455  -0.928  -9.808
  671   2HG   PRO  84          HG3       PRO  84  -3.620  -0.964 -11.575
  672   1HD   PRO  84          HD2       PRO  84  -2.961   1.318  -9.767
  673   2HD   PRO  84          HD3       PRO  84  -2.397   0.987 -11.412
  674    H    SER  85           HN       SER  85  -8.106   1.602 -10.864
  675    HA   SER  85           HA       SER  85  -7.945   3.349  -8.520
  676   1HB   SER  85          HB3       SER  85 -10.406   3.761  -9.098
  677   2HB   SER  85          HB2       SER  85  -9.220   4.340 -10.268
  678    HG   SER  85           HG       SER  85 -10.366   1.778 -10.513
  679    H    PHE  86           HN       PHE  86  -8.337   2.451  -6.556
  680    HA   PHE  86           HA       PHE  86 -10.292   0.325  -6.346
  681   1HB   PHE  86          HB3       PHE  86  -8.830  -1.284  -5.397
  682   2HB   PHE  86          HB2       PHE  86  -8.059  -0.736  -6.879
  683    HD1  PHE  86           HD1      PHE  86  -7.865  -0.903  -3.294
  684    HD2  PHE  86           HD2      PHE  86  -6.102   0.721  -6.781
  685    HE1  PHE  86           HE1      PHE  86  -5.872  -0.335  -1.997
  686    HE2  PHE  86           HE2      PHE  86  -4.065   1.271  -5.502
  687    HZ   PHE  86           HZ       PHE  86  -3.960   0.741  -3.077
  688    H    ARG  87           HN       ARG  87 -10.528  -0.279  -3.910
  689    HA   ARG  87           HA       ARG  87  -9.918   2.095  -2.292
  690   1HB   ARG  87          HB2       ARG  87 -12.510   0.520  -2.284
  691   2HB   ARG  87          HB3       ARG  87 -12.128   1.866  -1.226
  692   1HG   ARG  87          HG3       ARG  87 -13.517   2.806  -2.806
  693   2HG   ARG  87          HG2       ARG  87 -11.903   3.246  -3.363
  694   1HD   ARG  87          HD3       ARG  87 -13.292   2.562  -5.215
  695   2HD   ARG  87          HD2       ARG  87 -11.961   1.430  -4.986
  696    HE   ARG  87           HE       ARG  87 -14.202   0.465  -3.595
  697   1HH1  ARG  87          HH11      ARG  87 -13.604   1.384  -6.877
  698   2HH1  ARG  87          HH12      ARG  87 -14.456   0.039  -7.555
  699   1HH2  ARG  87          HH21      ARG  87 -15.948  -0.862  -4.894
  700   2HH2  ARG  87          HH22      ARG  87 -15.045  -1.783  -6.057
  701    H    ILE  88           HN       ILE  88  -8.486   1.395  -0.774
  702    HA   ILE  88           HA       ILE  88  -8.835  -1.298   0.338
  703    HB   ILE  88           HB       ILE  88  -6.663  -0.566   1.630
  704   1HG1  ILE  88          HG12      ILE  88  -6.471   1.096  -0.885
  705   2HG1  ILE  88          HG13      ILE  88  -6.717   1.746   0.733
  706   1HG2  ILE  88          HG21      ILE  88  -6.330  -2.434   0.437
  707   2HG2  ILE  88          HG22      ILE  88  -7.104  -1.797  -1.001
  708   3HG2  ILE  88          HG23      ILE  88  -5.438  -1.349  -0.634
  709   1HD1  ILE  88          HD11      ILE  88  -4.548   1.406   1.333
  710   2HD1  ILE  88          HD12      ILE  88  -4.389  -0.030   0.319
  711   3HD1  ILE  88          HD13      ILE  88  -4.330   1.573  -0.411
  712    H    LYS  89           HN       LYS  89 -10.046  -1.478   2.092
  713    HA   LYS  89           HA       LYS  89  -9.769   0.560   4.153
  714   1HB   LYS  89          HB3       LYS  89 -12.145   0.964   4.343
  715   2HB   LYS  89          HB2       LYS  89 -11.674   1.255   2.670
  716   1HG   LYS  89          HG2       LYS  89 -12.653  -0.755   1.928
  717   2HG   LYS  89          HG3       LYS  89 -12.924  -1.315   3.574
  718   1HD   LYS  89          HD3       LYS  89 -14.154   1.257   2.705
  719   2HD   LYS  89          HD2       LYS  89 -14.862  -0.250   2.135
  720   1HE   LYS  89          HE3       LYS  89 -16.082   0.062   4.044
  721   2HE   LYS  89          HE2       LYS  89 -14.746  -0.897   4.685
  722   1HZ   LYS  89          HZ1       LYS  89 -13.714   1.057   5.529
  723   2HZ   LYS  89          HZ2       LYS  89 -15.332   1.059   6.045
  724   3HZ   LYS  89          HZ3       LYS  89 -14.859   2.069   4.762
  725    HA   PRO  90           HA       PRO  90  -9.630  -3.245   6.428
  726   1HB   PRO  90          HB2       PRO  90  -9.788  -1.448   8.772
  727   2HB   PRO  90          HB3       PRO  90  -8.546  -2.622   8.345
  728   1HG   PRO  90          HG3       PRO  90  -8.098   0.017   8.144
  729   2HG   PRO  90          HG2       PRO  90  -7.402  -1.148   7.000
  730   1HD   PRO  90          HD3       PRO  90  -9.763   0.660   6.677
  731   2HD   PRO  90          HD2       PRO  90  -8.499   0.252   5.506
  732    H    LYS  91           HN       LYS  91 -11.604  -4.003   5.938
  733    HA   LYS  91           HA       LYS  91 -14.074  -2.991   6.261
  734   1HB   LYS  91          HB2       LYS  91 -13.532  -5.136   5.143
  735   2HB   LYS  91          HB3       LYS  91 -13.397  -5.896   6.725
  736   1HG   LYS  91          HG2       LYS  91 -15.747  -5.268   7.172
  737   2HG   LYS  91          HG3       LYS  91 -15.858  -4.652   5.521
  738   1HD   LYS  91          HD2       LYS  91 -15.167  -6.969   4.754
  739   2HD   LYS  91          HD3       LYS  91 -15.412  -7.487   6.424
  740   1HE   LYS  91          HE3       LYS  91 -17.727  -6.683   6.306
  741   2HE   LYS  91          HE2       LYS  91 -17.492  -6.306   4.601
  742   1HZ   LYS  91          HZ1       LYS  91 -17.542  -8.489   4.028
  743   2HZ   LYS  91          HZ2       LYS  91 -18.466  -8.604   5.441
  744   3HZ   LYS  91          HZ3       LYS  91 -16.830  -9.015   5.475
  745    H    ASP  92           HN       ASP  92 -12.237  -4.585   8.806
  746    HA   ASP  92           HA       ASP  92 -14.123  -3.497  10.764
  747   1HB   ASP  92          HB3       ASP  92 -13.328  -6.361  10.457
  748   2HB   ASP  92          HB2       ASP  92 -13.515  -5.723  12.086
  749    H    PHE  93           HN       PHE  93 -13.016  -3.919  13.060
  750    HA   PHE  93           HA       PHE  93 -10.461  -2.590  12.841
  751   1HB   PHE  93          HB3       PHE  93 -10.563  -2.189  15.167
  752   2HB   PHE  93          HB2       PHE  93 -12.232  -2.073  14.631
  753    HD1  PHE  93           HD1      PHE  93 -13.406  -4.592  14.686
  754    HD2  PHE  93           HD2      PHE  93 -10.314  -3.125  17.223
  755    HE1  PHE  93           HE1      PHE  93 -14.078  -6.193  16.424
  756    HE2  PHE  93           HE2      PHE  93 -10.968  -4.744  18.951
  757    HZ   PHE  93           HZ       PHE  93 -12.857  -6.278  18.560
  758    H    GLU  94           HN       GLU  94  -8.471  -3.487  13.043
  759    HA   GLU  94           HA       GLU  94  -8.400  -6.388  13.448
  760   1HB   GLU  94          HB2       GLU  94  -6.306  -6.372  12.247
  761   2HB   GLU  94          HB3       GLU  94  -7.528  -5.534  11.306
  762   1HG   GLU  94          HG2       GLU  94  -5.360  -4.232  12.933
  763   2HG   GLU  94          HG3       GLU  94  -5.356  -4.439  11.185
  764    H    THR  95           HN       THR  95  -6.731  -3.408  14.357
  765    HA   THR  95           HA       THR  95  -5.875  -4.758  16.837
  766    HB   THR  95           HB       THR  95  -4.190  -2.688  15.400
  767    HG1  THR  95           HG1      THR  95  -4.128  -5.513  15.166
  768   1HG2  THR  95          HG21      THR  95  -3.924  -4.048  17.901
  769   2HG2  THR  95          HG22      THR  95  -2.899  -2.800  17.191
  770   3HG2  THR  95          HG23      THR  95  -2.607  -4.503  16.822
  771    H    SER  96           HN       SER  96  -8.197  -3.522  16.758
  772    HA   SER  96           HA       SER  96  -9.517  -1.899  17.575
  773   1HB   SER  96          HB3       SER  96  -8.016  -2.607  19.554
  774   2HB   SER  96          HB2       SER  96  -7.207  -1.072  19.283
  775    HG   SER  96           HG       SER  96  -9.043   0.019  19.783
  776    H    GLU  97           HN       GLU  97  -8.543  -1.234  15.266
  777    HA   GLU  97           HA       GLU  97  -8.220   0.490  13.789
  778   1HB   GLU  97          HB3       GLU  97 -10.078   1.391  14.934
  779   2HB   GLU  97          HB2       GLU  97  -9.064   1.831  16.304
  780   1HG   GLU  97          HG2       GLU  97  -8.124   3.648  15.123
  781   2HG   GLU  97          HG3       GLU  97  -8.773   3.071  13.586
  782    H    TYR  98           HN       TYR  98  -6.402   0.580  16.688
  783    HA   TYR  98           HA       TYR  98  -4.821   2.753  16.659
  784   1HB   TYR  98          HB2       TYR  98  -4.737   0.639  18.148
  785   2HB   TYR  98          HB3       TYR  98  -3.511   0.086  17.020
  786    HD1  TYR  98           HD1      TYR  98  -1.382   1.320  16.798
  787    HD2  TYR  98           HD2      TYR  98  -4.311   2.382  19.680
  788    HE1  TYR  98           HE1      TYR  98   0.290   2.690  17.972
  789    HE2  TYR  98           HE2      TYR  98  -2.643   3.745  20.880
  790    HH   TYR  98           HH       TYR  98  -0.455   4.996  20.215
  791    H    VAL  99           HN       VAL  99  -4.013  -0.181  14.872
  792    HA   VAL  99           HA       VAL  99  -1.848   1.104  13.500
  793    HB   VAL  99           HB       VAL  99  -1.752  -1.287  14.072
  794   1HG1  VAL  99          HG11      VAL  99  -3.725  -2.338  13.777
  795   2HG1  VAL  99          HG12      VAL  99  -4.157  -1.356  12.381
  796   3HG1  VAL  99          HG13      VAL  99  -3.028  -2.687  12.197
  797   1HG2  VAL  99          HG21      VAL  99  -0.188  -0.913  12.477
  798   2HG2  VAL  99          HG22      VAL  99  -1.234  -2.000  11.558
  799   3HG2  VAL  99          HG23      VAL  99  -1.356  -0.251  11.332
  800    H    ARG 100           HN       ARG 100  -5.191   0.527  12.868
  801    HA   ARG 100           HA       ARG 100  -5.185   0.880  10.073
  802   1HB   ARG 100          HB3       ARG 100  -7.041  -0.135  11.299
  803   2HB   ARG 100          HB2       ARG 100  -7.331   1.384  12.136
  804   1HG   ARG 100          HG3       ARG 100  -8.023   2.443  10.129
  805   2HG   ARG 100          HG2       ARG 100  -7.540   1.047   9.165
  806   1HD   ARG 100          HD2       ARG 100  -9.873   0.894   9.392
  807   2HD   ARG 100          HD3       ARG 100  -9.198  -0.292  10.510
  808    HE   ARG 100           HE       ARG 100  -9.751   2.265  11.717
  809   1HH1  ARG 100          HH11      ARG 100 -10.851  -1.178  11.598
  810   2HH1  ARG 100          HH12      ARG 100 -12.330  -0.490  10.996
  811   1HH2  ARG 100          HH22      ARG 100 -11.352   2.134  13.455
  812   2HH2  ARG 100          HH21      ARG 100 -12.783   1.274  12.967
  813    H    LYS 101           HN       LYS 101  -5.593   3.106  12.802
  814    HA   LYS 101           HA       LYS 101  -6.141   5.425  11.269
  815   1HB   LYS 101          HB3       LYS 101  -6.533   5.046  13.764
  816   2HB   LYS 101          HB2       LYS 101  -4.831   5.428  13.968
  817   1HG   LYS 101          HG2       LYS 101  -6.034   7.401  14.347
  818   2HG   LYS 101          HG3       LYS 101  -5.263   7.589  12.787
  819   1HD   LYS 101          HD3       LYS 101  -7.503   8.415  12.613
  820   2HD   LYS 101          HD2       LYS 101  -7.440   6.879  11.746
  821   1HE   LYS 101          HE2       LYS 101  -8.292   5.782  13.844
  822   2HE   LYS 101          HE3       LYS 101  -8.561   7.398  14.495
  823   1HZ   LYS 101          HZ1       LYS 101 -10.536   6.359  13.458
  824   2HZ   LYS 101          HZ2       LYS 101  -9.747   6.426  11.960
  825   3HZ   LYS 101          HZ3       LYS 101 -10.129   7.857  12.795
  826    H    ALA 102           HN       ALA 102  -3.225   3.858  12.362
  827    HA   ALA 102           HA       ALA 102  -1.355   5.885  11.838
  828   1HB   ALA 102          HB1       ALA 102   0.209   4.326  12.334
  829   2HB   ALA 102          HB2       ALA 102  -1.201   3.406  12.889
  830   3HB   ALA 102          HB3       ALA 102  -0.531   3.107  11.284
  831    H    TRP 103           HN       TRP 103  -2.413   3.141   9.803
  832    HA   TRP 103           HA       TRP 103  -0.957   3.672   7.534
  833   1HB   TRP 103          HB3       TRP 103  -3.619   2.353   7.928
  834   2HB   TRP 103          HB2       TRP 103  -3.070   2.700   6.291
  835    HD1  TRP 103           HD1      TRP 103  -1.985   0.674   9.416
  836    HE1  TRP 103           HE1      TRP 103  -0.419  -1.225   8.649
  837    HE3  TRP 103           HE3      TRP 103  -1.653   1.887   4.489
  838    HZ2  TRP 103           HZ2      TRP 103   0.824  -2.072   6.195
  839    HZ3  TRP 103           HZ3      TRP 103  -0.279   0.523   2.997
  840    HH2  TRP 103           HH2      TRP 103   0.961  -1.389   3.815
  841    H    LEU 104           HN       LEU 104  -4.087   5.133   8.393
  842    HA   LEU 104           HA       LEU 104  -4.320   6.598   5.980
  843   1HB   LEU 104          HB2       LEU 104  -5.601   6.735   8.663
  844   2HB   LEU 104          HB3       LEU 104  -5.742   8.131   7.611
  845    HG   LEU 104           HG       LEU 104  -6.682   6.649   5.859
  846   1HD1  LEU 104          HD11      LEU 104  -5.957   4.479   6.361
  847   2HD1  LEU 104          HD12      LEU 104  -6.425   4.614   8.053
  848   3HD1  LEU 104          HD13      LEU 104  -7.661   4.457   6.803
  849   1HD2  LEU 104          HD21      LEU 104  -8.466   7.644   6.699
  850   2HD2  LEU 104          HD22      LEU 104  -8.760   6.142   7.571
  851   3HD2  LEU 104          HD23      LEU 104  -7.899   7.462   8.363
  852    H    ARG 105           HN       ARG 105  -3.407   7.641   9.217
  853    HA   ARG 105           HA       ARG 105  -2.634  10.238   8.674
  854   1HB   ARG 105          HB3       ARG 105  -1.449   8.343  10.705
  855   2HB   ARG 105          HB2       ARG 105  -1.131  10.072  10.666
  856   1HG   ARG 105          HG2       ARG 105  -3.509  10.512  11.023
  857   2HG   ARG 105          HG3       ARG 105  -3.810   8.771  11.086
  858   1HD   ARG 105          HD2       ARG 105  -3.664   9.607  13.324
  859   2HD   ARG 105          HD3       ARG 105  -2.242   8.622  12.998
  860    HE   ARG 105           HE       ARG 105  -1.596  11.291  12.424
  861   1HH1  ARG 105          HH11      ARG 105  -1.031   9.098  15.200
  862   2HH1  ARG 105          HH12      ARG 105  -2.326   9.951  15.992
  863   1HH2  ARG 105          HH21      ARG 105  -0.047  12.285  14.033
  864   2HH2  ARG 105          HH22      ARG 105  -1.069  12.610  15.398
  865    H    ASP 106           HN       ASP 106  -0.644   7.306   8.452
  866    HA   ASP 106           HA       ASP 106   1.722   8.708   7.654
  867   1HB   ASP 106          HB3       ASP 106   1.297   6.272   8.664
  868   2HB   ASP 106          HB2       ASP 106   1.351   5.842   6.959
  869    H    ILE 107           HN       ILE 107  -1.125   8.290   6.061
  870    HA   ILE 107           HA       ILE 107   0.100   8.056   3.396
  871    HB   ILE 107           HB       ILE 107  -2.451   7.189   4.478
  872   1HG1  ILE 107          HG13      ILE 107  -2.500   5.822   2.458
  873   2HG1  ILE 107          HG12      ILE 107  -1.200   6.782   1.761
  874   1HG2  ILE 107          HG21      ILE 107  -2.543   9.053   2.137
  875   2HG2  ILE 107          HG22      ILE 107  -3.750   7.789   2.357
  876   3HG2  ILE 107          HG23      ILE 107  -3.551   9.044   3.580
  877   1HD1  ILE 107          HD11      ILE 107  -1.004   4.473   3.409
  878   2HD1  ILE 107          HD12      ILE 107   0.286   5.406   2.655
  879   3HD1  ILE 107          HD13      ILE 107  -0.289   5.838   4.263
  880    H    ALA 108           HN       ALA 108  -1.919  10.072   5.425
  881    HA   ALA 108           HA       ALA 108  -2.359  12.169   3.554
  882   1HB   ALA 108          HB1       ALA 108  -3.910  12.300   5.216
  883   2HB   ALA 108          HB2       ALA 108  -2.796  11.681   6.435
  884   3HB   ALA 108          HB3       ALA 108  -2.695  13.373   5.936
  885    H    GLU 109           HN       GLU 109   0.319  11.142   5.326
  886    HA   GLU 109           HA       GLU 109   1.946  13.311   4.410
  887   1HB   GLU 109          HB3       GLU 109   2.889  13.663   6.791
  888   2HB   GLU 109          HB2       GLU 109   1.391  14.473   6.362
  889   1HG   GLU 109          HG3       GLU 109   0.109  12.829   7.536
  890   2HG   GLU 109          HG2       GLU 109   1.558  11.894   7.892
  891    H    GLU 110           HN       GLU 110   2.726  11.565   3.276
  892    HA   GLU 110           HA       GLU 110   3.710   9.164   4.288
  893   1HB   GLU 110          HB2       GLU 110   4.966   9.025   2.147
  894   2HB   GLU 110          HB3       GLU 110   3.277   9.468   1.928
  895   1HG   GLU 110          HG2       GLU 110   3.822  11.743   1.516
  896   2HG   GLU 110          HG3       GLU 110   5.487  11.512   2.041
  897    H    GLN 111           HN       GLN 111   5.697   8.439   4.788
  898    HA   GLN 111           HA       GLN 111   7.510   8.653   6.241
  899   1HB   GLN 111          HB2       GLN 111   8.005   7.951   3.839
  900   2HB   GLN 111          HB3       GLN 111   8.620   9.581   3.611
  901   1HG   GLN 111          HG3       GLN 111  10.301   9.220   5.318
  902   2HG   GLN 111          HG2       GLN 111   9.673   7.598   5.611
  903   1HE2  GLN 111          HE21      GLN 111   9.386   8.248   2.380
  904   2HE2  GLN 111          HE22      GLN 111  10.898   7.644   1.805
  905    H    GLU 112           HN       GLU 112   7.403  10.257   7.719
  906    HA   GLU 112           HA       GLU 112   7.303  12.894   7.520
  907   1HB   GLU 112          HB3       GLU 112   8.718  12.903   9.726
  908   2HB   GLU 112          HB2       GLU 112   7.092  12.254   9.629
  909   1HG   GLU 112          HG2       GLU 112   8.424  10.795  10.942
  910   2HG   GLU 112          HG3       GLU 112   7.995   9.998   9.437
  911    H    LYS 113           HN       LYS 113  10.186  11.295   6.460
  912    HA   LYS 113           HA       LYS 113  11.979  13.511   6.812
  913   1HB   LYS 113          HB2       LYS 113  11.969  11.235   4.824
  914   2HB   LYS 113          HB3       LYS 113  13.233  12.457   4.873
  915   1HG   LYS 113          HG2       LYS 113  14.124  10.667   6.057
  916   2HG   LYS 113          HG3       LYS 113  13.537  11.755   7.320
  917   1HD   LYS 113          HD3       LYS 113  11.486  10.427   7.471
  918   2HD   LYS 113          HD2       LYS 113  12.110   9.336   6.247
  919   1HE   LYS 113          HE2       LYS 113  12.535   8.321   8.359
  920   2HE   LYS 113          HE3       LYS 113  14.080   8.933   7.771
  921   1HZ   LYS 113          HZ1       LYS 113  13.799   9.473  10.090
  922   2HZ   LYS 113          HZ2       LYS 113  12.326  10.259   9.773
  923   3HZ   LYS 113          HZ3       LYS 113  13.789  10.886   9.183
  924    H    TYR 114           HN       TYR 114   9.456  12.702   4.593
  925    HA   TYR 114           HA       TYR 114  10.077  14.319   2.385
  926   1HB   TYR 114          HB2       TYR 114   8.403  12.515   2.410
  927   2HB   TYR 114          HB3       TYR 114   7.383  13.465   3.478
  928    HD1  TYR 114           HD1      TYR 114   6.206  15.463   2.592
  929    HD2  TYR 114           HD2      TYR 114   8.448  12.877   0.066
  930    HE1  TYR 114           HE1      TYR 114   5.042  16.383   0.634
  931    HE2  TYR 114           HE2      TYR 114   7.318  13.828  -1.914
  932    HH   TYR 114           HH       TYR 114   4.825  16.355  -1.594
  933    H    ALA 115           HN       ALA 115   7.716  14.967   4.958
  934    HA   ALA 115           HA       ALA 115   6.853  16.870   5.844
  935   1HB   ALA 115          HB1       ALA 115   9.693  17.043   5.862
  936   2HB   ALA 115          HB2       ALA 115   9.022  18.667   5.666
  937   3HB   ALA 115          HB3       ALA 115   8.538  17.663   7.042
  938    H    ALA 116           HN       ALA 116   7.733  19.612   5.290
  939    HA   ALA 116           HA       ALA 116   7.115  21.396   4.030
  940   1HB   ALA 116          HB1       ALA 116   7.228  21.030   1.493
  941   2HB   ALA 116          HB2       ALA 116   8.714  20.852   2.435
  942   3HB   ALA 116          HB3       ALA 116   7.835  19.428   1.899
  943    H    GLU 117           HN       GLU 117   5.038  19.746   5.058
  944    HA   GLU 117           HA       GLU 117   3.041  19.404   3.050
  945   1HB   GLU 117          HB3       GLU 117   3.071  18.038   5.092
  946   2HB   GLU 117          HB2       GLU 117   2.759  19.474   6.056
  947   1HG   GLU 117          HG3       GLU 117   0.599  19.763   4.965
  948   2HG   GLU 117          HG2       GLU 117   0.897  18.341   3.972
  949    H    ARG 118           HN       ARG 118   2.072  20.989   2.086
  950    HA   ARG 118           HA       ARG 118   0.679  23.025   3.506
  951   1HB   ARG 118          HB3       ARG 118   3.329  23.648   2.661
  952   2HB   ARG 118          HB2       ARG 118   2.205  24.512   1.614
  953   1HG   ARG 118          HG2       ARG 118   1.989  24.568   4.612
  954   2HG   ARG 118          HG3       ARG 118   2.955  25.730   3.696
  955   1HD   ARG 118          HD2       ARG 118   1.037  26.557   2.559
  956   2HD   ARG 118          HD3       ARG 118   0.029  25.245   3.159
  957    HE   ARG 118           HE       ARG 118   0.669  27.695   4.500
  958   1HH1  ARG 118          HH11      ARG 118  -1.324  24.738   5.081
  959   2HH1  ARG 118          HH12      ARG 118  -0.068  24.314   6.204
  960   1HH2  ARG 118          HH22      ARG 118  -0.728  28.029   6.439
  961   2HH2  ARG 118          HH21      ARG 118  -0.654  26.704   7.561
  962    H    ASP 119           HN       ASP 119  -0.959  23.800   2.304
  963    HA   ASP 119           HA       ASP 119  -1.052  23.145  -0.554
  964   1HB   ASP 119          HB3       ASP 119  -2.245  21.441   1.017
  965   2HB   ASP 119          HB2       ASP 119  -3.416  22.725   1.271
  Start of MODEL   22
    1   1H    MET   1          HT1       MET   1  20.968 -11.701  -5.589
    2   2H    MET   1          HT2       MET   1  21.946 -10.293  -5.721
    3   3H    MET   1          HT3       MET   1  20.469 -10.395  -6.589
    4    HA   MET   1           HA       MET   1  20.897 -10.092  -3.706
    5   1HB   MET   1          HB2       MET   1  20.855  -8.082  -5.107
    6   2HB   MET   1          HB3       MET   1  19.321  -8.587  -5.800
    7   1HG   MET   1          HG3       MET   1  18.330  -8.467  -3.521
    8   2HG   MET   1          HG2       MET   1  19.851  -7.785  -2.953
    9   1HE   MET   1          HE1       MET   1  17.908  -4.671  -2.665
   10   2HE   MET   1          HE2       MET   1  16.709  -5.936  -2.939
   11   3HE   MET   1          HE3       MET   1  18.144  -6.276  -1.973
   12    H    GLY   2           HN       GLY   2  18.253 -10.354  -6.086
   13   1HA   GLY   2          HA2       GLY   2  16.938 -12.546  -5.346
   14   2HA   GLY   2          HA1       GLY   2  16.514 -11.453  -4.036
   15    H    ASP   3           HN       ASP   3  14.346 -11.299  -4.551
   16    HA   ASP   3           HA       ASP   3  13.653 -10.323  -7.221
   17   1HB   ASP   3          HB3       ASP   3  12.061 -11.547  -4.987
   18   2HB   ASP   3          HB2       ASP   3  11.262 -10.639  -6.268
   19    H    THR   4           HN       THR   4  12.477  -9.593  -3.931
   20    HA   THR   4           HA       THR   4  12.831  -6.744  -4.508
   21    HB   THR   4           HB       THR   4  10.239  -8.045  -3.654
   22    HG1  THR   4           HG1      THR   4  11.202  -7.161  -5.983
   23   1HG2  THR   4          HG21      THR   4  11.145  -5.248  -3.306
   24   2HG2  THR   4          HG22      THR   4  10.041  -6.216  -2.331
   25   3HG2  THR   4          HG23      THR   4   9.493  -5.523  -3.857
   26    H    GLY   5           HN       GLY   5  14.116  -6.027  -2.965
   27   1HA   GLY   5          HA2       GLY   5  14.170  -7.298  -0.342
   28   2HA   GLY   5          HA1       GLY   5  15.238  -6.018  -0.916
   29    H    LYS   6           HN       LYS   6  12.856  -6.689   1.225
   30    HA   LYS   6           HA       LYS   6  11.290  -4.305   1.013
   31   1HB   LYS   6          HB2       LYS   6  11.534  -6.331   3.237
   32   2HB   LYS   6          HB3       LYS   6  10.355  -5.025   3.201
   33   1HG   LYS   6          HG2       LYS   6   9.316  -5.923   1.237
   34   2HG   LYS   6          HG3       LYS   6  10.584  -7.142   1.073
   35   1HD   LYS   6          HD3       LYS   6   9.879  -8.133   3.206
   36   2HD   LYS   6          HD2       LYS   6   8.589  -6.934   3.321
   37   1HE   LYS   6          HE3       LYS   6   7.518  -7.793   1.361
   38   2HE   LYS   6          HE2       LYS   6   8.888  -8.838   1.008
   39   1HZ   LYS   6          HZ1       LYS   6   8.406 -10.133   2.962
   40   2HZ   LYS   6          HZ2       LYS   6   7.010 -10.042   2.000
   41   3HZ   LYS   6          HZ3       LYS   6   7.135  -9.095   3.402
   42    H    LEU   7           HN       LEU   7  13.325  -3.014   0.872
   43    HA   LEU   7           HA       LEU   7  14.070  -2.044   3.549
   44   1HB   LEU   7          HB2       LEU   7  15.687  -2.206   1.019
   45   2HB   LEU   7          HB3       LEU   7  16.089  -1.046   2.270
   46    HG   LEU   7           HG       LEU   7  16.181  -3.093   3.846
   47   1HD1  LEU   7          HD11      LEU   7  17.104  -4.881   1.849
   48   2HD1  LEU   7          HD12      LEU   7  15.779  -5.098   2.994
   49   3HD1  LEU   7          HD13      LEU   7  15.465  -4.371   1.419
   50   1HD2  LEU   7          HD21      LEU   7  18.090  -1.921   2.046
   51   2HD2  LEU   7          HD22      LEU   7  18.306  -2.475   3.701
   52   3HD2  LEU   7          HD23      LEU   7  18.488  -3.607   2.359
   53    H    GLY   8           HN       GLY   8  14.808   0.396   3.289
   54   1HA   GLY   8          HA1       GLY   8  14.194   2.547   2.750
   55   2HA   GLY   8          HA2       GLY   8  13.562   1.914   1.234
   56    H    ARG   9           HN       ARG   9  12.828   1.635   4.683
   57    HA   ARG   9           HA       ARG   9  10.032   1.277   4.261
   58   1HB   ARG   9          HB3       ARG   9  11.367   2.092   6.843
   59   2HB   ARG   9          HB2       ARG   9   9.864   1.204   6.636
   60   1HG   ARG   9          HG2       ARG   9  11.032  -0.720   5.826
   61   2HG   ARG   9          HG3       ARG   9  12.561   0.162   5.803
   62   1HD   ARG   9          HD2       ARG   9  12.624  -1.150   7.749
   63   2HD   ARG   9          HD3       ARG   9  12.253   0.486   8.294
   64    HE   ARG   9           HE       ARG   9   9.858  -0.919   7.877
   65   1HH1  ARG   9          HH11      ARG   9  12.187  -0.247  10.500
   66   2HH1  ARG   9          HH12      ARG   9  12.190  -1.958  10.789
   67   1HH2  ARG   9          HH21      ARG   9   9.214  -2.691   9.884
   68   2HH2  ARG   9          HH22      ARG   9   9.003  -1.278  10.889
   69    H    ILE  10           HN       ILE  10  10.100   3.300   2.833
   70    HA   ILE  10           HA       ILE  10  10.195   5.876   3.905
   71    HB   ILE  10           HB       ILE  10  10.271   5.430   1.487
   72   1HG1  ILE  10          HG13      ILE  10   8.654   7.251   0.779
   73   2HG1  ILE  10          HG12      ILE  10   8.081   7.273   2.446
   74   1HG2  ILE  10          HG21      ILE  10   7.463   5.305   0.932
   75   2HG2  ILE  10          HG22      ILE  10   8.757   4.226   0.413
   76   3HG2  ILE  10          HG23      ILE  10   7.937   3.951   1.957
   77   1HD1  ILE  10          HD11      ILE  10  10.699   8.145   1.333
   78   2HD1  ILE  10          HD12      ILE  10   9.605   8.985   2.435
   79   3HD1  ILE  10          HD13      ILE  10  10.582   7.636   3.021
   80    H    ILE  11           HN       ILE  11   7.499   3.596   3.676
   81    HA   ILE  11           HA       ILE  11   5.977   5.431   5.390
   82    HB   ILE  11           HB       ILE  11   4.737   3.611   3.311
   83   1HG1  ILE  11          HG13      ILE  11   5.042   6.630   3.284
   84   2HG1  ILE  11          HG12      ILE  11   5.983   5.510   2.303
   85   1HG2  ILE  11          HG21      ILE  11   2.692   4.222   4.091
   86   2HG2  ILE  11          HG22      ILE  11   3.581   4.502   5.586
   87   3HG2  ILE  11          HG23      ILE  11   3.223   5.848   4.507
   88   1HD1  ILE  11          HD11      ILE  11   3.349   6.602   1.832
   89   2HD1  ILE  11          HD12      ILE  11   4.437   5.768   0.724
   90   3HD1  ILE  11          HD13      ILE  11   3.347   4.842   1.756
   91    H    ARG  12           HN       ARG  12   4.702   2.322   4.489
   92    HA   ARG  12           HA       ARG  12   5.732   0.970   6.836
   93   1HB   ARG  12          HB2       ARG  12   2.922   2.000   6.713
   94   2HB   ARG  12          HB3       ARG  12   3.214   0.444   7.472
   95   1HG   ARG  12          HG3       ARG  12   3.444   1.659   9.324
   96   2HG   ARG  12          HG2       ARG  12   5.071   1.958   8.714
   97   1HD   ARG  12          HD3       ARG  12   4.192   4.004   7.585
   98   2HD   ARG  12          HD2       ARG  12   2.652   3.732   8.403
   99    HE   ARG  12           HE       ARG  12   5.003   4.895   9.513
  100   1HH1  ARG  12          HH12      ARG  12   1.728   4.348  10.876
  101   2HH1  ARG  12          HH11      ARG  12   2.329   2.831  11.508
  102   1HH2  ARG  12          HH21      ARG  12   5.189   4.366  12.292
  103   2HH2  ARG  12          HH22      ARG  12   4.051   5.684  12.163
  104    H    HIS  13           HN       HIS  13   4.380  -1.172   7.109
  105    HA   HIS  13           HA       HIS  13   3.661  -2.232   4.475
  106   1HB   HIS  13          HB2       HIS  13   5.030  -4.153   4.693
  107   2HB   HIS  13          HB3       HIS  13   6.068  -2.797   5.107
  108    HD1  HIS  13           HD1      HIS  13   6.327  -2.441   7.868
  109    HD2  HIS  13           HD2      HIS  13   5.038  -6.143   6.477
  110    HE1  HIS  13           HE1      HIS  13   6.655  -4.044   9.781
  111    HE2  HIS  13           HE2      HIS  13   5.733  -6.236   8.958
  112    H    ASP  14           HN       ASP  14   1.791  -3.384   4.517
  113    HA   ASP  14           HA       ASP  14   1.024  -4.932   6.808
  114   1HB   ASP  14          HB2       ASP  14   0.424  -2.458   7.322
  115   2HB   ASP  14          HB3       ASP  14  -0.884  -2.702   6.167
  116    H    ALA  15           HN       ALA  15  -1.905  -4.563   6.041
  117    HA   ALA  15           HA       ALA  15  -2.006  -5.501   3.312
  118   1HB   ALA  15          HB1       ALA  15  -2.469  -7.692   3.628
  119   2HB   ALA  15          HB2       ALA  15  -1.469  -7.446   5.055
  120   3HB   ALA  15          HB3       ALA  15  -3.226  -7.419   5.191
  121    H    PHE  16           HN       PHE  16  -4.102  -5.580   2.448
  122    HA   PHE  16           HA       PHE  16  -6.278  -4.725   4.211
  123   1HB   PHE  16          HB2       PHE  16  -5.422  -3.324   1.677
  124   2HB   PHE  16          HB3       PHE  16  -7.060  -3.198   2.304
  125    HD1  PHE  16           HD1      PHE  16  -6.873  -2.855   5.071
  126    HD2  PHE  16           HD2      PHE  16  -4.249  -1.377   2.070
  127    HE1  PHE  16           HE1      PHE  16  -6.228  -1.007   6.555
  128    HE2  PHE  16           HE2      PHE  16  -3.582   0.468   3.555
  129    HZ   PHE  16           HZ       PHE  16  -4.579   0.654   5.807
  130    H    GLN  17           HN       GLN  17  -8.285  -5.508   3.601
  131    HA   GLN  17           HA       GLN  17  -8.274  -7.271   1.247
  132   1HB   GLN  17          HB3       GLN  17  -8.240  -8.599   3.329
  133   2HB   GLN  17          HB2       GLN  17  -9.671  -7.749   3.900
  134   1HG   GLN  17          HG2       GLN  17 -10.983  -8.711   2.087
  135   2HG   GLN  17          HG3       GLN  17  -9.543  -9.532   1.475
  136   1HE2  GLN  17          HE21      GLN  17  -9.772 -11.611   1.863
  137   2HE2  GLN  17          HE22      GLN  17  -9.989 -12.282   3.442
  138    H    VAL  18           HN       VAL  18  -8.848  -5.010   0.573
  139    HA   VAL  18           HA       VAL  18 -11.619  -4.284   0.967
  140    HB   VAL  18           HB       VAL  18  -9.773  -2.699   1.296
  141   1HG1  VAL  18          HG11      VAL  18  -9.151  -3.417  -1.526
  142   2HG1  VAL  18          HG12      VAL  18  -8.682  -1.843  -0.877
  143   3HG1  VAL  18          HG13      VAL  18  -8.086  -3.323  -0.118
  144   1HG2  VAL  18          HG21      VAL  18 -11.044  -1.498  -1.067
  145   2HG2  VAL  18          HG22      VAL  18 -12.132  -2.118   0.181
  146   3HG2  VAL  18          HG23      VAL  18 -10.916  -0.913   0.588
  147    H    TRP  19           HN       TRP  19 -12.000  -2.939  -1.433
  148    HA   TRP  19           HA       TRP  19 -12.451  -5.116  -3.316
  149   1HB   TRP  19          HB2       TRP  19 -13.691  -2.357  -3.167
  150   2HB   TRP  19          HB3       TRP  19 -14.235  -3.699  -4.168
  151    HD1  TRP  19           HD1      TRP  19 -15.536  -5.703  -2.945
  152    HE1  TRP  19           HE1      TRP  19 -16.845  -5.795  -0.727
  153    HE3  TRP  19           HE3      TRP  19 -13.693  -1.438  -0.689
  154    HZ2  TRP  19           HZ2      TRP  19 -17.067  -4.285   1.635
  155    HZ3  TRP  19           HZ3      TRP  19 -14.527  -0.862   1.537
  156    HH2  TRP  19           HH2      TRP  19 -16.173  -2.255   2.683
  157    H    GLU  20           HN       GLU  20 -12.420  -4.494  -5.618
  158    HA   GLU  20           HA       GLU  20 -10.426  -2.430  -6.304
  159   1HB   GLU  20          HB2       GLU  20  -9.886  -5.088  -6.526
  160   2HB   GLU  20          HB3       GLU  20 -10.688  -4.822  -8.064
  161   1HG   GLU  20          HG2       GLU  20  -8.279  -3.275  -7.112
  162   2HG   GLU  20          HG3       GLU  20  -8.204  -4.681  -8.168
  163    H    GLY  21           HN       GLY  21 -10.859  -1.501  -8.452
  164   1HA   GLY  21          HA2       GLY  21 -13.030  -0.317  -9.105
  165   2HA   GLY  21          HA1       GLY  21 -12.209  -1.187 -10.382
  166    H    ASP  22           HN       ASP  22 -13.021  -3.121 -11.134
  167    HA   ASP  22           HA       ASP  22 -15.811  -3.642 -10.333
  168   1HB   ASP  22          HB2       ASP  22 -15.436  -2.731 -12.696
  169   2HB   ASP  22          HB3       ASP  22 -14.639  -4.259 -13.052
  170    H    GLU  23           HN       GLU  23 -13.650  -4.625  -8.995
  171    HA   GLU  23           HA       GLU  23 -13.676  -7.490  -9.715
  172   1HB   GLU  23          HB2       GLU  23 -11.455  -5.880  -8.433
  173   2HB   GLU  23          HB3       GLU  23 -11.440  -7.627  -8.622
  174   1HG   GLU  23          HG2       GLU  23 -11.823  -5.949 -11.038
  175   2HG   GLU  23          HG3       GLU  23 -10.218  -6.038 -10.312
  176    HA   PRO  24           HA       PRO  24 -15.345  -8.075  -5.653
  177   1HB   PRO  24          HB2       PRO  24 -14.023 -10.634  -5.361
  178   2HB   PRO  24          HB3       PRO  24 -15.730 -10.303  -5.667
  179   1HG   PRO  24          HG2       PRO  24 -14.011 -11.445  -7.477
  180   2HG   PRO  24          HG3       PRO  24 -15.505 -10.598  -7.906
  181   1HD   PRO  24          HD2       PRO  24 -12.684  -9.687  -8.085
  182   2HD   PRO  24          HD3       PRO  24 -14.077  -9.271  -9.105
  183    HA   PRO  25           HA       PRO  25 -12.288  -7.038  -2.638
  184   1HB   PRO  25          HB3       PRO  25 -12.998  -8.534  -0.452
  185   2HB   PRO  25          HB2       PRO  25 -13.834  -7.056  -0.945
  186   1HG   PRO  25          HG3       PRO  25 -14.573  -9.912  -1.494
  187   2HG   PRO  25          HG2       PRO  25 -15.614  -8.565  -0.987
  188   1HD   PRO  25          HD2       PRO  25 -15.526  -9.351  -3.544
  189   2HD   PRO  25          HD3       PRO  25 -15.651  -7.632  -3.117
  190    H    LYS  26           HN       LYS  26 -10.284  -7.672  -2.010
  191    HA   LYS  26           HA       LYS  26  -9.620 -10.516  -1.879
  192   1HB   LYS  26          HB3       LYS  26  -8.075  -8.640  -3.679
  193   2HB   LYS  26          HB2       LYS  26  -7.760 -10.348  -3.429
  194   1HG   LYS  26          HG2       LYS  26  -9.965 -10.852  -4.445
  195   2HG   LYS  26          HG3       LYS  26 -10.135  -9.129  -4.804
  196   1HD   LYS  26          HD2       LYS  26  -7.962  -9.281  -6.059
  197   2HD   LYS  26          HD3       LYS  26  -8.066 -11.034  -5.872
  198   1HE   LYS  26          HE3       LYS  26 -10.139  -9.297  -7.207
  199   2HE   LYS  26          HE2       LYS  26  -8.929 -10.269  -8.048
  200   1HZ   LYS  26          HZ1       LYS  26  -9.899 -12.259  -7.013
  201   2HZ   LYS  26          HZ2       LYS  26 -11.018 -11.425  -7.987
  202   3HZ   LYS  26          HZ3       LYS  26 -11.104 -11.296  -6.296
  203    H    LEU  27           HN       LEU  27  -7.661 -10.957  -0.800
  204    HA   LEU  27           HA       LEU  27  -6.957  -8.979   1.180
  205   1HB   LEU  27          HB3       LEU  27  -7.266 -11.322   1.806
  206   2HB   LEU  27          HB2       LEU  27  -5.990 -11.805   0.708
  207    HG   LEU  27           HG       LEU  27  -4.328 -10.698   2.075
  208   1HD1  LEU  27          HD21      LEU  27  -4.743  -9.277   3.787
  209   2HD1  LEU  27          HD22      LEU  27  -6.229  -9.000   2.869
  210   3HD1  LEU  27          HD23      LEU  27  -6.236 -10.101   4.251
  211   1HD2  LEU  27          HD11      LEU  27  -5.874 -12.123   4.152
  212   2HD2  LEU  27          HD12      LEU  27  -5.518 -13.016   2.671
  213   3HD2  LEU  27          HD13      LEU  27  -4.199 -12.335   3.635
  214    H    ARG  28           HN       ARG  28  -5.967  -7.412  -0.182
  215    HA   ARG  28           HA       ARG  28  -3.507  -8.173  -1.525
  216   1HB   ARG  28          HB3       ARG  28  -3.498  -5.759  -2.245
  217   2HB   ARG  28          HB2       ARG  28  -4.876  -6.707  -2.791
  218   1HG   ARG  28          HG2       ARG  28  -6.058  -5.742  -0.697
  219   2HG   ARG  28          HG3       ARG  28  -4.772  -4.530  -0.747
  220   1HD   ARG  28          HD3       ARG  28  -6.765  -3.781  -1.957
  221   2HD   ARG  28          HD2       ARG  28  -5.383  -3.965  -3.039
  222    HE   ARG  28           HE       ARG  28  -6.816  -6.362  -3.052
  223   1HH1  ARG  28          HH12      ARG  28  -7.241  -3.319  -5.306
  224   2HH1  ARG  28          HH11      ARG  28  -8.569  -3.230  -4.201
  225   1HH2  ARG  28          HH22      ARG  28  -7.747  -6.497  -5.680
  226   2HH2  ARG  28          HH21      ARG  28  -9.236  -6.108  -4.855
  227    H    TYR  29           HN       TYR  29  -1.686  -8.231  -0.467
  228    HA   TYR  29           HA       TYR  29  -1.360  -6.891   2.056
  229   1HB   TYR  29          HB3       TYR  29   0.269  -8.780   0.423
  230   2HB   TYR  29          HB2       TYR  29   1.094  -7.794   1.628
  231    HD1  TYR  29           HD1      TYR  29  -2.182  -9.606   1.563
  232    HD2  TYR  29           HD2      TYR  29   1.532  -8.991   3.543
  233    HE1  TYR  29           HE1      TYR  29  -2.882 -11.165   3.332
  234    HE2  TYR  29           HE2      TYR  29   0.857 -10.557   5.309
  235    HH   TYR  29           HH       TYR  29  -1.809 -11.337   6.161
  236    H    VAL  30           HN       VAL  30  -1.256  -4.820   1.948
  237    HA   VAL  30           HA       VAL  30   0.085  -3.408  -0.177
  238    HB   VAL  30           HB       VAL  30  -1.344  -2.311   2.247
  239   1HG1  VAL  30          HG21      VAL  30  -1.412  -0.210   1.037
  240   2HG1  VAL  30          HG22      VAL  30   0.262  -0.734   1.230
  241   3HG1  VAL  30          HG23      VAL  30  -0.562  -0.941  -0.322
  242   1HG2  VAL  30          HG11      VAL  30  -2.305  -2.916  -0.542
  243   2HG2  VAL  30          HG12      VAL  30  -2.950  -3.508   0.990
  244   3HG2  VAL  30          HG13      VAL  30  -3.150  -1.817   0.549
  245    H    PHE  31           HN       PHE  31   2.211  -3.326  -0.083
  246    HA   PHE  31           HA       PHE  31   3.482  -2.519   2.459
  247   1HB   PHE  31          HB3       PHE  31   4.786  -3.821   0.045
  248   2HB   PHE  31          HB2       PHE  31   5.591  -3.381   1.550
  249    HD1  PHE  31           HD1      PHE  31   3.125  -5.655   0.042
  250    HD2  PHE  31           HD2      PHE  31   5.592  -4.822   3.396
  251    HE1  PHE  31           HE1      PHE  31   2.667  -7.899   0.920
  252    HE2  PHE  31           HE2      PHE  31   5.142  -7.069   4.298
  253    HZ   PHE  31           HZ       PHE  31   3.679  -8.619   3.060
  254    H    LEU  32           HN       LEU  32   4.300  -0.425   2.444
  255    HA   LEU  32           HA       LEU  32   4.615   0.767  -0.225
  256   1HB   LEU  32          HB2       LEU  32   4.058   2.445   2.162
  257   2HB   LEU  32          HB3       LEU  32   3.829   2.794   0.464
  258    HG   LEU  32           HG       LEU  32   2.070   0.952   2.116
  259   1HD1  LEU  32          HD11      LEU  32   1.762   3.315   2.670
  260   2HD1  LEU  32          HD12      LEU  32   1.553   3.695   0.956
  261   3HD1  LEU  32          HD13      LEU  32   0.376   2.676   1.783
  262   1HD2  LEU  32          HD21      LEU  32   0.676   0.871   0.144
  263   2HD2  LEU  32          HD22      LEU  32   1.815   1.889  -0.740
  264   3HD2  LEU  32          HD23      LEU  32   2.291   0.265  -0.224
  265    H    PHE  33           HN       PHE  33   6.662   0.434  -0.420
  266    HA   PHE  33           HA       PHE  33   8.472   1.818   1.420
  267   1HB   PHE  33          HB3       PHE  33   8.830  -0.904   0.142
  268   2HB   PHE  33          HB2       PHE  33  10.186   0.023   0.766
  269    HD1  PHE  33           HD1      PHE  33   9.676  -2.664   1.684
  270    HD2  PHE  33           HD2      PHE  33   8.088   1.027   3.072
  271    HE1  PHE  33           HE1      PHE  33   9.347  -3.649   3.915
  272    HE2  PHE  33           HE2      PHE  33   7.742   0.048   5.300
  273    HZ   PHE  33           HZ       PHE  33   8.377  -2.294   5.726
  274    H    ARG  34           HN       ARG  34  10.737   1.949   0.188
  275    HA   ARG  34           HA       ARG  34  11.938   2.972  -1.448
  276   1HB   ARG  34          HB3       ARG  34   9.966   1.662  -3.331
  277   2HB   ARG  34          HB2       ARG  34  11.558   2.281  -3.752
  278   1HG   ARG  34          HG3       ARG  34  11.037  -0.012  -1.876
  279   2HG   ARG  34          HG2       ARG  34  11.500  -0.153  -3.568
  280   1HD   ARG  34          HD3       ARG  34  13.595   0.978  -3.124
  281   2HD   ARG  34          HD2       ARG  34  13.143   1.198  -1.435
  282    HE   ARG  34           HE       ARG  34  12.981  -1.525  -1.987
  283   1HH1  ARG  34          HH12      ARG  34  15.849   0.293  -2.927
  284   2HH1  ARG  34          HH11      ARG  34  16.375   0.344  -1.271
  285   1HH2  ARG  34          HH22      ARG  34  14.608  -2.922  -1.220
  286   2HH2  ARG  34          HH21      ARG  34  16.249  -2.352  -1.091
  287    H    ASN  35           HN       ASN  35   9.160   3.082  -3.508
  288    HA   ASN  35           HA       ASN  35   8.161   5.621  -2.755
  289   1HB   ASN  35          HB3       ASN  35  10.479   6.001  -4.016
  290   2HB   ASN  35          HB2       ASN  35   9.472   5.756  -5.438
  291   1HD2  ASN  35          HD21      ASN  35  10.711   8.021  -3.480
  292   2HD2  ASN  35          HD22      ASN  35   9.478   9.228  -3.488
  293    H    LYS  36           HN       LYS  36   7.200   3.047  -3.216
  294    HA   LYS  36           HA       LYS  36   5.197   3.604  -5.241
  295   1HB   LYS  36          HB2       LYS  36   5.517   1.427  -6.363
  296   2HB   LYS  36          HB3       LYS  36   6.910   2.486  -6.556
  297   1HG   LYS  36          HG3       LYS  36   8.198   1.249  -5.043
  298   2HG   LYS  36          HG2       LYS  36   6.793   0.399  -4.407
  299   1HD   LYS  36          HD3       LYS  36   8.014  -1.099  -5.838
  300   2HD   LYS  36          HD2       LYS  36   6.502  -0.664  -6.633
  301   1HE   LYS  36          HE2       LYS  36   7.691   0.995  -7.980
  302   2HE   LYS  36          HE3       LYS  36   9.209   0.530  -7.206
  303   1HZ   LYS  36          HZ1       LYS  36   8.158  -0.570  -9.464
  304   2HZ   LYS  36          HZ2       LYS  36   7.786  -1.712  -8.269
  305   3HZ   LYS  36          HZ3       LYS  36   9.394  -1.233  -8.514
  306    H    ILE  37           HN       ILE  37   3.417   2.039  -5.157
  307    HA   ILE  37           HA       ILE  37   3.096   0.956  -2.442
  308    HB   ILE  37           HB       ILE  37   1.074   1.722  -4.557
  309   1HG1  ILE  37          HG12      ILE  37   1.513   2.679  -1.731
  310   2HG1  ILE  37          HG13      ILE  37   1.997   3.533  -3.191
  311   1HG2  ILE  37          HG21      ILE  37   0.549  -0.449  -3.290
  312   2HG2  ILE  37          HG22      ILE  37   0.290   0.605  -1.896
  313   3HG2  ILE  37          HG23      ILE  37  -0.685   0.813  -3.354
  314   1HD1  ILE  37          HD11      ILE  37  -0.850   2.826  -2.586
  315   2HD1  ILE  37          HD12      ILE  37  -0.090   4.341  -2.091
  316   3HD1  ILE  37          HD13      ILE  37  -0.233   3.945  -3.806
  317    H    MET  38           HN       MET  38   3.638  -1.116  -2.335
  318    HA   MET  38           HA       MET  38   3.145  -2.843  -4.657
  319   1HB   MET  38          HB2       MET  38   4.949  -3.198  -2.257
  320   2HB   MET  38          HB3       MET  38   4.697  -4.420  -3.494
  321   1HG   MET  38          HG3       MET  38   5.617  -2.933  -5.181
  322   2HG   MET  38          HG2       MET  38   5.821  -1.667  -3.974
  323   1HE   MET  38          HE1       MET  38   7.554  -1.619  -2.144
  324   2HE   MET  38          HE2       MET  38   7.008  -3.131  -1.422
  325   3HE   MET  38          HE3       MET  38   8.716  -2.895  -1.786
  326    H    PHE  39           HN       PHE  39   0.979  -3.283  -4.354
  327    HA   PHE  39           HA       PHE  39   0.343  -4.687  -1.861
  328   1HB   PHE  39          HB2       PHE  39  -1.998  -4.122  -2.156
  329   2HB   PHE  39          HB3       PHE  39  -1.023  -2.661  -2.197
  330    HD1  PHE  39           HD1      PHE  39  -0.319  -1.955  -4.712
  331    HD2  PHE  39           HD2      PHE  39  -3.725  -4.260  -3.625
  332    HE1  PHE  39           HE1      PHE  39  -1.428  -1.302  -6.806
  333    HE2  PHE  39           HE2      PHE  39  -4.851  -3.602  -5.722
  334    HZ   PHE  39           HZ       PHE  39  -3.688  -2.127  -7.316
  335    H    THR  40           HN       THR  40   0.628  -6.757  -2.131
  336    HA   THR  40           HA       THR  40   0.043  -8.015  -4.683
  337    HB   THR  40           HB       THR  40   0.985 -10.064  -3.511
  338    HG1  THR  40           HG1      THR  40   2.112  -8.406  -1.588
  339   1HG2  THR  40          HG21      THR  40   3.214  -8.341  -3.128
  340   2HG2  THR  40          HG22      THR  40   2.310  -7.811  -4.545
  341   3HG2  THR  40          HG23      THR  40   2.892  -9.470  -4.442
  342    H    GLU  41           HN       GLU  41  -1.972  -8.540  -5.081
  343    HA   GLU  41           HA       GLU  41  -3.914  -8.914  -3.043
  344   1HB   GLU  41          HB2       GLU  41  -4.068  -9.412  -6.012
  345   2HB   GLU  41          HB3       GLU  41  -5.439  -9.392  -4.912
  346   1HG   GLU  41          HG3       GLU  41  -5.018  -7.076  -4.380
  347   2HG   GLU  41          HG2       GLU  41  -3.584  -7.080  -5.402
  348    H    GLN  42           HN       GLN  42  -3.889 -10.618  -1.802
  349    HA   GLN  42           HA       GLN  42  -3.240 -13.265  -2.842
  350   1HB   GLN  42          HB2       GLN  42  -2.443 -12.384  -0.569
  351   2HB   GLN  42          HB3       GLN  42  -4.106 -12.541  -0.031
  352   1HG   GLN  42          HG2       GLN  42  -2.504 -14.845  -1.119
  353   2HG   GLN  42          HG3       GLN  42  -2.566 -14.426   0.592
  354   1HE2  GLN  42          HE21      GLN  42  -3.760 -16.468  -1.594
  355   2HE2  GLN  42          HE22      GLN  42  -5.384 -16.678  -1.059
  356    H    ASP  43           HN       ASP  43  -4.845 -14.256  -3.884
  357    HA   ASP  43           HA       ASP  43  -7.589 -13.898  -2.863
  358   1HB   ASP  43          HB2       ASP  43  -6.893 -13.094  -5.249
  359   2HB   ASP  43          HB3       ASP  43  -6.986 -14.804  -5.659
  360    H    ALA  44           HN       ALA  44  -8.992 -15.763  -2.933
  361    HA   ALA  44           HA       ALA  44  -7.501 -18.200  -2.382
  362   1HB   ALA  44          HB1       ALA  44 -10.445 -17.695  -2.010
  363   2HB   ALA  44          HB2       ALA  44  -9.492 -19.022  -1.345
  364   3HB   ALA  44          HB3       ALA  44  -9.210 -17.368  -0.795
  365    H    SER  45           HN       SER  45 -10.745 -18.006  -3.828
  366    HA   SER  45           HA       SER  45  -9.798 -19.183  -6.293
  367   1HB   SER  45          HB3       SER  45 -11.636 -20.721  -4.446
  368   2HB   SER  45          HB2       SER  45 -11.234 -21.192  -6.097
  369    HG   SER  45           HG       SER  45  -9.037 -20.684  -4.530
  370    H    THR  46           HN       THR  46 -12.805 -20.242  -6.335
  371    HA   THR  46           HA       THR  46 -14.730 -19.629  -7.272
  372    HB   THR  46           HB       THR  46 -15.780 -17.478  -6.601
  373    HG1  THR  46           HG1      THR  46 -13.232 -17.019  -5.514
  374   1HG2  THR  46          HG21      THR  46 -16.023 -17.953  -4.258
  375   2HG2  THR  46          HG22      THR  46 -14.585 -18.975  -4.288
  376   3HG2  THR  46          HG23      THR  46 -16.027 -19.453  -5.187
  377    H    SER  47           HN       SER  47 -13.269 -16.400  -7.471
  378    HA   SER  47           HA       SER  47 -13.563 -16.543 -10.389
  379   1HB   SER  47          HB2       SER  47 -13.152 -14.106  -8.626
  380   2HB   SER  47          HB3       SER  47 -13.584 -14.111 -10.337
  381    HG   SER  47           HG       SER  47 -15.410 -13.783  -8.985
  382    HA   PRO  48           HA       PRO  48  -9.188 -16.542 -11.049
  383   1HB   PRO  48          HB2       PRO  48  -9.306 -14.045 -12.633
  384   2HB   PRO  48          HB3       PRO  48  -8.761 -15.656 -13.113
  385   1HG   PRO  48          HG2       PRO  48 -11.093 -14.639 -13.988
  386   2HG   PRO  48          HG3       PRO  48 -10.899 -16.372 -13.636
  387   1HD   PRO  48          HD3       PRO  48 -12.223 -14.233 -12.016
  388   2HD   PRO  48          HD2       PRO  48 -12.704 -15.928 -12.249
  389    HA   PRO  49           HA       PRO  49  -7.738 -13.729  -7.937
  390   1HB   PRO  49          HB2       PRO  49  -5.145 -14.428  -7.889
  391   2HB   PRO  49          HB3       PRO  49  -6.415 -15.503  -7.273
  392   1HG   PRO  49          HG2       PRO  49  -5.041 -15.523  -9.937
  393   2HG   PRO  49          HG3       PRO  49  -5.368 -16.886  -8.846
  394   1HD   PRO  49          HD3       PRO  49  -6.934 -16.339 -10.989
  395   2HD   PRO  49          HD2       PRO  49  -7.587 -17.028  -9.489
  396    H    SER  50           HN       SER  50  -5.644 -12.343  -7.655
  397    HA   SER  50           HA       SER  50  -4.875 -11.011 -10.140
  398   1HB   SER  50          HB2       SER  50  -6.884  -9.839  -9.199
  399   2HB   SER  50          HB3       SER  50  -5.956  -9.511  -7.742
  400    HG   SER  50           HG       SER  50  -4.986  -7.928  -8.717
  401    H    TYR  51           HN       TYR  51  -3.270 -12.705  -8.672
  402    HA   TYR  51           HA       TYR  51  -1.634 -10.996  -6.962
  403   1HB   TYR  51          HB3       TYR  51  -2.058 -13.191  -6.071
  404   2HB   TYR  51          HB2       TYR  51  -1.496 -13.960  -7.553
  405    HD1  TYR  51           HD1      TYR  51  -0.106 -11.366  -5.226
  406    HD2  TYR  51           HD2      TYR  51   0.513 -15.046  -7.273
  407    HE1  TYR  51           HE1      TYR  51   2.164 -11.499  -4.295
  408    HE2  TYR  51           HE2      TYR  51   2.781 -15.187  -6.341
  409    HH   TYR  51           HH       TYR  51   3.935 -12.870  -3.952
  410    H    THR  52           HN       THR  52  -1.008 -13.323  -9.578
  411    HA   THR  52           HA       THR  52   0.460 -13.349 -11.294
  412    HB   THR  52           HB       THR  52   0.566 -10.348 -10.965
  413    HG1  THR  52           HG1      THR  52  -1.552 -11.813 -11.410
  414   1HG2  THR  52          HG21      THR  52   1.148 -12.182 -13.257
  415   2HG2  THR  52          HG22      THR  52   2.146 -10.893 -12.582
  416   3HG2  THR  52          HG23      THR  52   0.698 -10.492 -13.507
  417    H    HIS  53           HN       HIS  53   1.980 -10.463  -9.931
  418    HA   HIS  53           HA       HIS  53   4.019 -12.088  -8.649
  419   1HB   HIS  53          HB3       HIS  53   4.640 -10.122 -10.859
  420   2HB   HIS  53          HB2       HIS  53   5.849 -10.717  -9.724
  421    HD1  HIS  53           HD1      HIS  53   4.162 -11.560 -12.863
  422    HD2  HIS  53           HD2      HIS  53   6.293 -13.573  -9.917
  423    HE1  HIS  53           HE1      HIS  53   4.701 -13.815 -13.835
  424    HE2  HIS  53           HE2      HIS  53   5.798 -15.086 -11.956
  425    H    TYR  54           HN       TYR  54   4.268  -8.674  -9.553
  426    HA   TYR  54           HA       TYR  54   3.553  -7.924  -6.808
  427   1HB   TYR  54          HB3       TYR  54   6.106  -7.068  -8.197
  428   2HB   TYR  54          HB2       TYR  54   5.527  -6.425  -6.665
  429    HD1  TYR  54           HD1      TYR  54   5.007  -8.363  -4.858
  430    HD2  TYR  54           HD2      TYR  54   7.758  -8.672  -8.094
  431    HE1  TYR  54           HE1      TYR  54   6.212 -10.140  -3.660
  432    HE2  TYR  54           HE2      TYR  54   8.976 -10.440  -6.893
  433    HH   TYR  54           HH       TYR  54   8.607 -12.084  -5.161
  434    H    SER  55           HN       SER  55   1.965  -6.484  -7.014
  435    HA   SER  55           HA       SER  55   1.676  -4.883  -9.396
  436   1HB   SER  55          HB2       SER  55   0.100  -4.720  -6.813
  437   2HB   SER  55          HB3       SER  55  -0.376  -4.088  -8.387
  438    HG   SER  55           HG       SER  55  -1.425  -6.003  -8.195
  439    H    SER  56           HN       SER  56   2.067  -2.654  -9.549
  440    HA   SER  56           HA       SER  56   3.157  -1.374  -7.135
  441   1HB   SER  56          HB3       SER  56   5.078  -2.126  -8.379
  442   2HB   SER  56          HB2       SER  56   4.440  -1.431  -9.867
  443    HG   SER  56           HG       SER  56   5.534   0.269  -9.314
  444    H    ILE  57           HN       ILE  57   2.681   0.705  -6.842
  445    HA   ILE  57           HA       ILE  57   1.333   2.206  -8.992
  446    HB   ILE  57           HB       ILE  57   0.523   1.947  -6.112
  447   1HG1  ILE  57          HG12      ILE  57  -0.910   1.624  -8.745
  448   2HG1  ILE  57          HG13      ILE  57  -0.534   0.366  -7.567
  449   1HG2  ILE  57          HG21      ILE  57  -1.212   3.798  -6.956
  450   2HG2  ILE  57          HG22      ILE  57   0.301   4.208  -6.155
  451   3HG2  ILE  57          HG23      ILE  57   0.189   4.272  -7.908
  452   1HD1  ILE  57          HD11      ILE  57  -2.413   2.667  -7.119
  453   2HD1  ILE  57          HD12      ILE  57  -2.889   1.017  -7.517
  454   3HD1  ILE  57          HD13      ILE  57  -2.070   1.360  -5.985
  455    H    ARG  58           HN       ARG  58   2.238   4.154  -9.361
  456    HA   ARG  58           HA       ARG  58   4.614   4.947  -8.122
  457   1HB   ARG  58          HB3       ARG  58   3.282   5.700 -10.369
  458   2HB   ARG  58          HB2       ARG  58   3.011   7.095  -9.329
  459   1HG   ARG  58          HG2       ARG  58   5.715   6.479  -9.053
  460   2HG   ARG  58          HG3       ARG  58   5.365   6.343 -10.778
  461   1HD   ARG  58          HD3       ARG  58   4.245   8.595 -10.604
  462   2HD   ARG  58          HD2       ARG  58   4.906   8.709  -8.975
  463    HE   ARG  58           HE       ARG  58   6.256   9.358 -11.317
  464   1HH1  ARG  58          HH12      ARG  58   7.934   8.483  -7.999
  465   2HH1  ARG  58          HH11      ARG  58   7.714   6.939  -8.770
  466   1HH2  ARG  58          HH21      ARG  58   8.841   8.758 -11.502
  467   2HH2  ARG  58          HH22      ARG  58   9.113   9.796 -10.128
  468    H    LEU  59           HN       LEU  59   5.075   6.152  -6.397
  469    HA   LEU  59           HA       LEU  59   2.846   7.233  -4.817
  470   1HB   LEU  59          HB2       LEU  59   5.602   6.276  -4.149
  471   2HB   LEU  59          HB3       LEU  59   4.836   7.445  -3.097
  472    HG   LEU  59           HG       LEU  59   3.761   4.702  -3.747
  473   1HD1  LEU  59          HD21      LEU  59   4.729   5.642  -1.080
  474   2HD1  LEU  59          HD22      LEU  59   4.538   3.992  -1.687
  475   3HD1  LEU  59          HD23      LEU  59   5.864   5.004  -2.274
  476   1HD2  LEU  59          HD11      LEU  59   2.694   6.102  -1.434
  477   2HD2  LEU  59          HD12      LEU  59   2.343   6.919  -2.955
  478   3HD2  LEU  59          HD13      LEU  59   1.864   5.242  -2.727
  479    H    ASP  60           HN       ASP  60   3.529   8.831  -7.020
  480    HA   ASP  60           HA       ASP  60   4.711  11.099  -5.608
  481   1HB   ASP  60          HB3       ASP  60   6.514  10.030  -6.908
  482   2HB   ASP  60          HB2       ASP  60   5.572  10.265  -8.378
  483    H    LYS  61           HN       LYS  61   2.878  10.046  -8.487
  484    HA   LYS  61           HA       LYS  61   1.575  12.671  -8.387
  485   1HB   LYS  61          HB3       LYS  61   2.650  11.282 -10.819
  486   2HB   LYS  61          HB2       LYS  61   1.429  12.543 -10.926
  487   1HG   LYS  61          HG2       LYS  61   4.045  12.929  -9.513
  488   2HG   LYS  61          HG3       LYS  61   3.830  13.273 -11.233
  489   1HD   LYS  61          HD3       LYS  61   2.331  15.019 -10.805
  490   2HD   LYS  61          HD2       LYS  61   2.026  14.469  -9.152
  491   1HE   LYS  61          HE2       LYS  61   4.643  15.591 -10.154
  492   2HE   LYS  61          HE3       LYS  61   3.428  16.493  -9.248
  493   1HZ   LYS  61          HZ1       LYS  61   5.218  15.659  -7.827
  494   2HZ   LYS  61          HZ2       LYS  61   4.827  14.065  -8.253
  495   3HZ   LYS  61          HZ3       LYS  61   3.711  15.015  -7.390
  496    H    TYR  62           HN       TYR  62   0.441  10.674  -7.105
  497    HA   TYR  62           HA       TYR  62  -1.791   9.859  -8.855
  498   1HB   TYR  62          HB3       TYR  62  -2.040   7.816  -7.624
  499   2HB   TYR  62          HB2       TYR  62  -0.328   7.946  -8.012
  500    HD1  TYR  62           HD1      TYR  62  -2.655   7.322  -5.424
  501    HD2  TYR  62           HD2      TYR  62   1.164   9.028  -6.186
  502    HE1  TYR  62           HE1      TYR  62  -2.100   7.121  -3.028
  503    HE2  TYR  62           HE2      TYR  62   1.742   8.818  -3.808
  504    HH   TYR  62           HH       TYR  62   0.334   8.741  -1.578
  505    H    ASN  63           HN       ASN  63  -3.865  10.254  -8.004
  506    HA   ASN  63           HA       ASN  63  -3.856  12.145  -5.786
  507   1HB   ASN  63          HB2       ASN  63  -6.039  11.311  -7.707
  508   2HB   ASN  63          HB3       ASN  63  -6.277  12.454  -6.392
  509   1HD2  ASN  63          HD21      ASN  63  -3.292  13.161  -7.102
  510   2HD2  ASN  63          HD22      ASN  63  -3.576  14.466  -8.190
  511    H    ILE  64           HN       ILE  64  -3.640  11.063  -3.935
  512    HA   ILE  64           HA       ILE  64  -5.307   8.721  -3.448
  513    HB   ILE  64           HB       ILE  64  -2.856   8.669  -2.991
  514   1HG1  ILE  64          HG13      ILE  64  -4.687   7.255  -1.790
  515   2HG1  ILE  64          HG12      ILE  64  -3.022   7.217  -1.217
  516   1HG2  ILE  64          HG21      ILE  64  -2.272  10.735  -2.137
  517   2HG2  ILE  64          HG22      ILE  64  -3.569  10.718  -0.943
  518   3HG2  ILE  64          HG23      ILE  64  -2.175   9.660  -0.742
  519   1HD1  ILE  64          HD11      ILE  64  -3.954   9.166   0.326
  520   2HD1  ILE  64          HD12      ILE  64  -5.442   8.248   0.081
  521   3HD1  ILE  64          HD13      ILE  64  -4.015   7.457   0.758
  522    H    ARG  65           HN       ARG  65  -7.133   8.853  -2.417
  523    HA   ARG  65           HA       ARG  65  -7.637  11.233  -0.768
  524   1HB   ARG  65          HB3       ARG  65  -9.667   9.493  -2.181
  525   2HB   ARG  65          HB2       ARG  65 -10.000  10.972  -1.286
  526   1HG   ARG  65          HG2       ARG  65  -8.542  10.656  -3.887
  527   2HG   ARG  65          HG3       ARG  65 -10.037  11.542  -3.561
  528   1HD   ARG  65          HD2       ARG  65  -8.843  13.175  -2.261
  529   2HD   ARG  65          HD3       ARG  65  -7.353  12.237  -2.379
  530    HE   ARG  65           HE       ARG  65  -8.432  13.020  -4.933
  531   1HH1  ARG  65          HH12      ARG  65  -6.318  14.416  -2.281
  532   2HH1  ARG  65          HH11      ARG  65  -5.116  13.849  -3.406
  533   1HH2  ARG  65          HH21      ARG  65  -7.464  14.787  -6.036
  534   2HH2  ARG  65          HH22      ARG  65  -5.925  15.355  -5.452
  535    H    GLN  66           HN       GLN  66  -9.232  10.918   0.973
  536    HA   GLN  66           HA       GLN  66  -9.430   8.265   2.106
  537   1HB   GLN  66          HB3       GLN  66  -7.343   8.684   3.052
  538   2HB   GLN  66          HB2       GLN  66  -7.623  10.414   3.156
  539   1HG   GLN  66          HG3       GLN  66  -9.288   8.708   4.890
  540   2HG   GLN  66          HG2       GLN  66  -7.568   8.807   5.272
  541   1HE2  GLN  66          HE21      GLN  66 -10.065   9.863   6.531
  542   2HE2  GLN  66          HE22      GLN  66  -9.502  11.419   7.027
  543    H    HIS  67           HN       HIS  67 -11.510   8.155   2.585
  544    HA   HIS  67           HA       HIS  67 -12.895  10.583   3.521
  545   1HB   HIS  67          HB3       HIS  67 -14.050   8.189   2.099
  546   2HB   HIS  67          HB2       HIS  67 -14.938   9.625   2.590
  547    HD1  HIS  67           HD1      HIS  67 -13.584  11.939   1.505
  548    HD2  HIS  67           HD2      HIS  67 -13.485   8.301  -0.489
  549    HE1  HIS  67           HE1      HIS  67 -13.019  12.494  -0.887
  550    HE2  HIS  67           HE2      HIS  67 -13.087  10.287  -2.110
  551    H    THR  68           HN       THR  68 -13.826  10.550   5.475
  552    HA   THR  68           HA       THR  68 -13.779   8.012   6.927
  553    HB   THR  68           HB       THR  68 -14.220  10.760   8.088
  554    HG1  THR  68           HG1      THR  68 -11.840   9.449   7.346
  555   1HG2  THR  68          HG21      THR  68 -13.884   8.095   9.205
  556   2HG2  THR  68          HG22      THR  68 -14.532   9.565   9.932
  557   3HG2  THR  68          HG23      THR  68 -12.791   9.301   9.885
  558    H    THR  69           HN       THR  69 -15.729   7.004   6.342
  559    HA   THR  69           HA       THR  69 -18.185   8.508   6.642
  560    HB   THR  69           HB       THR  69 -17.798   5.574   5.965
  561    HG1  THR  69           HG1      THR  69 -17.662   7.878   4.411
  562   1HG2  THR  69          HG21      THR  69 -19.990   5.446   5.339
  563   2HG2  THR  69          HG22      THR  69 -20.123   7.182   5.058
  564   3HG2  THR  69          HG23      THR  69 -20.115   6.553   6.705
  565    H    ASP  70           HN       ASP  70 -18.183   5.150   7.739
  566    HA   ASP  70           HA       ASP  70 -18.674   6.102  10.444
  567   1HB   ASP  70          HB2       ASP  70 -20.168   4.364   9.523
  568   2HB   ASP  70          HB3       ASP  70 -18.785   3.316   9.241
  569    H    GLU  71           HN       GLU  71 -16.437   4.493   8.408
  570    HA   GLU  71           HA       GLU  71 -14.355   4.607  10.456
  571   1HB   GLU  71          HB3       GLU  71 -15.200   2.232   8.864
  572   2HB   GLU  71          HB2       GLU  71 -13.468   2.503   9.024
  573   1HG   GLU  71          HG3       GLU  71 -15.422   2.227  11.293
  574   2HG   GLU  71          HG2       GLU  71 -14.303   0.986  10.725
  575    H    ASP  72           HN       ASP  72 -12.266   5.050   9.551
  576    HA   ASP  72           HA       ASP  72 -12.393   6.770   7.309
  577   1HB   ASP  72          HB2       ASP  72 -10.697   6.579   9.379
  578   2HB   ASP  72          HB3       ASP  72  -9.744   5.734   8.161
  579    H    THR  73           HN       THR  73 -12.347   6.295   5.237
  580    HA   THR  73           HA       THR  73 -11.262   3.688   4.373
  581    HB   THR  73           HB       THR  73 -13.503   5.362   3.224
  582    HG1  THR  73           HG1      THR  73 -13.712   4.055   5.283
  583   1HG2  THR  73          HG21      THR  73 -12.108   3.767   1.672
  584   2HG2  THR  73          HG22      THR  73 -13.869   3.848   1.572
  585   3HG2  THR  73          HG23      THR  73 -13.095   2.527   2.452
  586    H    ILE  74           HN       ILE  74  -9.626   3.715   2.886
  587    HA   ILE  74           HA       ILE  74  -8.811   6.300   1.793
  588    HB   ILE  74           HB       ILE  74  -7.405   3.648   1.453
  589   1HG1  ILE  74          HG12      ILE  74  -7.583   4.005   3.823
  590   2HG1  ILE  74          HG13      ILE  74  -5.940   4.389   3.333
  591   1HG2  ILE  74          HG21      ILE  74  -6.840   5.616  -0.047
  592   2HG2  ILE  74          HG22      ILE  74  -6.190   6.395   1.396
  593   3HG2  ILE  74          HG23      ILE  74  -5.498   4.876   0.829
  594   1HD1  ILE  74          HD11      ILE  74  -8.128   6.226   4.190
  595   2HD1  ILE  74          HD12      ILE  74  -6.481   6.082   4.812
  596   3HD1  ILE  74          HD13      ILE  74  -6.766   6.817   3.232
  597    H    VAL  75           HN       VAL  75  -8.597   6.706  -0.385
  598    HA   VAL  75           HA       VAL  75  -9.620   4.721  -2.298
  599    HB   VAL  75           HB       VAL  75 -10.583   7.583  -2.061
  600   1HG1  VAL  75          HG21      VAL  75 -11.177   5.590  -4.236
  601   2HG1  VAL  75          HG22      VAL  75 -11.915   7.185  -4.061
  602   3HG1  VAL  75          HG23      VAL  75 -10.190   7.047  -4.400
  603   1HG2  VAL  75          HG11      VAL  75 -11.958   6.438  -0.646
  604   2HG2  VAL  75          HG12      VAL  75 -12.833   6.242  -2.162
  605   3HG2  VAL  75          HG13      VAL  75 -11.820   4.928  -1.545
  606    H    LEU  76           HN       LEU  76  -8.531   4.843  -4.317
  607    HA   LEU  76           HA       LEU  76  -6.505   6.976  -4.472
  608   1HB   LEU  76          HB2       LEU  76  -6.118   4.149  -5.446
  609   2HB   LEU  76          HB3       LEU  76  -4.925   5.439  -5.435
  610    HG   LEU  76           HG       LEU  76  -5.376   5.375  -2.830
  611   1HD1  LEU  76          HD11      LEU  76  -6.490   2.814  -3.845
  612   2HD1  LEU  76          HD12      LEU  76  -5.528   2.776  -2.361
  613   3HD1  LEU  76          HD13      LEU  76  -6.967   3.794  -2.453
  614   1HD2  LEU  76          HD21      LEU  76  -3.606   3.437  -2.817
  615   2HD2  LEU  76          HD22      LEU  76  -3.592   3.745  -4.553
  616   3HD2  LEU  76          HD23      LEU  76  -3.203   5.041  -3.424
  617    H    GLN  77           HN       GLN  77  -6.523   8.169  -6.213
  618    HA   GLN  77           HA       GLN  77  -7.932   7.185  -8.602
  619   1HB   GLN  77          HB2       GLN  77  -7.536  10.012  -7.594
  620   2HB   GLN  77          HB3       GLN  77  -8.194   9.620  -9.180
  621   1HG   GLN  77          HG2       GLN  77 -10.005   8.342  -8.035
  622   2HG   GLN  77          HG3       GLN  77  -9.398   8.954  -6.497
  623   1HE2  GLN  77          HE21      GLN  77 -10.763  10.410  -5.794
  624   2HE2  GLN  77          HE22      GLN  77 -11.616  11.563  -6.761
  625    HA   PRO  78           HA       PRO  78  -3.741   7.105 -10.097
  626   1HB   PRO  78          HB2       PRO  78  -4.270   5.770 -12.367
  627   2HB   PRO  78          HB3       PRO  78  -4.300   4.982 -10.785
  628   1HG   PRO  78          HG2       PRO  78  -6.585   6.044 -12.414
  629   2HG   PRO  78          HG3       PRO  78  -6.443   4.483 -11.582
  630   1HD   PRO  78          HD3       PRO  78  -7.787   6.573 -10.519
  631   2HD   PRO  78          HD2       PRO  78  -6.901   5.401  -9.515
  632    H    GLN  79           HN       GLN  79  -2.500   7.767 -11.824
  633    HA   GLN  79           HA       GLN  79  -3.559  10.026 -13.347
  634   1HB   GLN  79          HB3       GLN  79  -1.079  10.116 -14.144
  635   2HB   GLN  79          HB2       GLN  79  -1.459  10.607 -12.499
  636   1HG   GLN  79          HG3       GLN  79  -0.703   8.486 -11.643
  637   2HG   GLN  79          HG2       GLN  79  -0.429   7.887 -13.274
  638   1HE2  GLN  79          HE21      GLN  79   0.434  11.031 -13.388
  639   2HE2  GLN  79          HE22      GLN  79   2.135  10.850 -13.127
  640    H    GLU  80           HN       GLU  80  -3.596   6.881 -13.519
  641    HA   GLU  80           HA       GLU  80  -3.925   5.270 -14.942
  642   1HB   GLU  80          HB3       GLU  80  -5.699   6.964 -15.438
  643   2HB   GLU  80          HB2       GLU  80  -4.779   7.387 -16.863
  644   1HG   GLU  80          HG2       GLU  80  -5.146   5.310 -17.870
  645   2HG   GLU  80          HG3       GLU  80  -5.681   4.580 -16.356
  646    HA   PRO  81           HA       PRO  81  -0.370   5.343 -17.902
  647   1HB   PRO  81          HB2       PRO  81   1.831   5.745 -16.462
  648   2HB   PRO  81          HB3       PRO  81   0.790   7.129 -16.831
  649   1HG   PRO  81          HG2       PRO  81   1.220   5.743 -14.257
  650   2HG   PRO  81          HG3       PRO  81   0.581   7.366 -14.556
  651   1HD   PRO  81          HD2       PRO  81  -0.875   4.846 -14.146
  652   2HD   PRO  81          HD3       PRO  81  -1.500   6.513 -14.111
  653    H    GLY  82           HN       GLY  82  -1.855   3.473 -16.345
  654   1HA   GLY  82          HA2       GLY  82  -1.646   1.091 -16.110
  655   2HA   GLY  82          HA1       GLY  82   0.095   1.320 -15.814
  656    H    LEU  83           HN       LEU  83  -2.916   0.938 -14.255
  657    HA   LEU  83           HA       LEU  83  -2.170   1.071 -11.657
  658   1HB   LEU  83          HB3       LEU  83  -1.571   3.536 -12.499
  659   2HB   LEU  83          HB2       LEU  83  -3.279   3.800 -12.229
  660    HG   LEU  83           HG       LEU  83  -1.399   2.815 -10.092
  661   1HD1  LEU  83          HD21      LEU  83  -1.705   5.230  -9.289
  662   2HD1  LEU  83          HD22      LEU  83  -0.555   4.928 -10.589
  663   3HD1  LEU  83          HD23      LEU  83  -2.149   5.583 -10.960
  664   1HD2  LEU  83          HD11      LEU  83  -3.427   2.340  -9.226
  665   2HD2  LEU  83          HD12      LEU  83  -3.364   4.048  -8.799
  666   3HD2  LEU  83          HD13      LEU  83  -4.262   3.523 -10.227
  667    HA   PRO  84           HA       PRO  84  -6.583   0.277 -12.049
  668   1HB   PRO  84          HB2       PRO  84  -6.908  -1.073  -9.716
  669   2HB   PRO  84          HB3       PRO  84  -6.193  -1.808 -11.159
  670   1HG   PRO  84          HG2       PRO  84  -4.888  -0.853  -8.673
  671   2HG   PRO  84          HG3       PRO  84  -4.411  -2.157  -9.775
  672   1HD   PRO  84          HD2       PRO  84  -3.303   0.420  -9.682
  673   2HD   PRO  84          HD3       PRO  84  -3.085  -0.771 -10.974
  674    H    SER  85           HN       SER  85  -8.456   1.199 -11.215
  675    HA   SER  85           HA       SER  85  -8.036   3.296  -9.211
  676   1HB   SER  85          HB3       SER  85 -10.486   2.774 -10.905
  677   2HB   SER  85          HB2       SER  85 -10.152   4.201  -9.931
  678    HG   SER  85           HG       SER  85  -8.608   3.358 -12.169
  679    H    PHE  86           HN       PHE  86  -8.212   2.469  -7.236
  680    HA   PHE  86           HA       PHE  86 -10.659   1.009  -6.627
  681   1HB   PHE  86          HB2       PHE  86  -9.520  -0.700  -5.389
  682   2HB   PHE  86          HB3       PHE  86  -8.845  -0.642  -7.010
  683    HD1  PHE  86           HD1      PHE  86  -6.716   1.185  -7.061
  684    HD2  PHE  86           HD2      PHE  86  -8.033  -1.176  -3.768
  685    HE1  PHE  86           HE1      PHE  86  -4.472   1.311  -6.069
  686    HE2  PHE  86           HE2      PHE  86  -5.790  -1.048  -2.779
  687    HZ   PHE  86           HZ       PHE  86  -4.008   0.194  -3.927
  688    H    ARG  87           HN       ARG  87  -9.883   0.346  -4.038
  689    HA   ARG  87           HA       ARG  87  -9.308   2.787  -2.600
  690   1HB   ARG  87          HB3       ARG  87 -11.428   2.174  -1.126
  691   2HB   ARG  87          HB2       ARG  87 -11.587   3.221  -2.535
  692   1HG   ARG  87          HG2       ARG  87 -11.930   0.476  -3.310
  693   2HG   ARG  87          HG3       ARG  87 -12.994   0.864  -1.954
  694   1HD   ARG  87          HD2       ARG  87 -13.775   2.852  -3.174
  695   2HD   ARG  87          HD3       ARG  87 -12.763   2.386  -4.540
  696    HE   ARG  87           HE       ARG  87 -15.344   1.393  -3.924
  697   1HH1  ARG  87          HH12      ARG  87 -12.891   0.627  -6.507
  698   2HH1  ARG  87          HH11      ARG  87 -12.520  -0.761  -5.523
  699   1HH2  ARG  87          HH22      ARG  87 -16.013  -0.004  -6.065
  700   2HH2  ARG  87          HH21      ARG  87 -15.329  -1.497  -5.488
  701    H    ILE  88           HN       ILE  88  -8.761   2.286  -0.348
  702    HA   ILE  88           HA       ILE  88  -8.485  -0.600   0.129
  703    HB   ILE  88           HB       ILE  88  -6.468   0.215   1.656
  704   1HG1  ILE  88          HG12      ILE  88  -6.428   2.106  -0.708
  705   2HG1  ILE  88          HG13      ILE  88  -6.587   2.565   0.983
  706   1HG2  ILE  88          HG21      ILE  88  -5.007  -0.380  -0.388
  707   2HG2  ILE  88          HG22      ILE  88  -6.148  -1.581   0.224
  708   3HG2  ILE  88          HG23      ILE  88  -6.545  -0.638  -1.213
  709   1HD1  ILE  88          HD11      ILE  88  -4.312   1.319   1.228
  710   2HD1  ILE  88          HD12      ILE  88  -4.193   1.628  -0.506
  711   3HD1  ILE  88          HD13      ILE  88  -4.374   2.973   0.625
  712    H    LYS  89           HN       LYS  89  -9.557  -1.258   1.734
  713    HA   LYS  89           HA       LYS  89 -10.087   0.484   4.020
  714   1HB   LYS  89          HB2       LYS  89 -12.068   0.878   2.971
  715   2HB   LYS  89          HB3       LYS  89 -11.921  -0.540   1.955
  716   1HG   LYS  89          HG2       LYS  89 -13.499  -1.495   3.116
  717   2HG   LYS  89          HG3       LYS  89 -12.429  -1.500   4.533
  718   1HD   LYS  89          HD2       LYS  89 -14.378  -0.379   5.248
  719   2HD   LYS  89          HD3       LYS  89 -13.205   0.897   4.919
  720   1HE   LYS  89          HE2       LYS  89 -14.206   1.296   2.746
  721   2HE   LYS  89          HE3       LYS  89 -15.359  -0.010   3.015
  722   1HZ   LYS  89          HZ1       LYS  89 -16.578   1.803   3.604
  723   2HZ   LYS  89          HZ2       LYS  89 -15.245   2.659   4.206
  724   3HZ   LYS  89          HZ3       LYS  89 -15.927   1.399   5.119
  725    HA   PRO  90           HA       PRO  90  -9.059  -3.345   6.034
  726   1HB   PRO  90          HB3       PRO  90  -9.680  -2.077   8.551
  727   2HB   PRO  90          HB2       PRO  90  -8.095  -2.462   7.875
  728   1HG   PRO  90          HG2       PRO  90  -9.040   0.086   8.222
  729   2HG   PRO  90          HG3       PRO  90  -7.814  -0.366   7.027
  730   1HD   PRO  90          HD3       PRO  90 -10.735   0.133   6.654
  731   2HD   PRO  90          HD2       PRO  90  -9.374   0.555   5.595
  732    H    LYS  91           HN       LYS  91 -11.394  -3.821   4.978
  733    HA   LYS  91           HA       LYS  91 -13.379  -4.863   5.178
  734   1HB   LYS  91          HB2       LYS  91 -11.811  -6.186   6.761
  735   2HB   LYS  91          HB3       LYS  91 -12.745  -5.448   8.056
  736   1HG   LYS  91          HG2       LYS  91 -14.763  -6.497   7.270
  737   2HG   LYS  91          HG3       LYS  91 -13.938  -7.081   5.824
  738   1HD   LYS  91          HD2       LYS  91 -12.411  -8.378   7.311
  739   2HD   LYS  91          HD3       LYS  91 -13.447  -7.941   8.669
  740   1HE   LYS  91          HE3       LYS  91 -14.022 -10.150   7.818
  741   2HE   LYS  91          HE2       LYS  91 -15.347  -9.020   7.561
  742   1HZ   LYS  91          HZ1       LYS  91 -13.507  -9.156   5.355
  743   2HZ   LYS  91          HZ2       LYS  91 -15.198  -9.241   5.356
  744   3HZ   LYS  91          HZ3       LYS  91 -14.272 -10.630   5.671
  745    H    ASP  92           HN       ASP  92 -12.826  -2.063   6.533
  746    HA   ASP  92           HA       ASP  92 -14.070  -0.342   7.394
  747   1HB   ASP  92          HB3       ASP  92 -15.688  -1.261   5.631
  748   2HB   ASP  92          HB2       ASP  92 -16.504  -2.066   6.960
  749    H    PHE  93           HN       PHE  93 -12.938  -2.381   8.952
  750    HA   PHE  93           HA       PHE  93 -14.731  -2.507  11.286
  751   1HB   PHE  93          HB2       PHE  93 -14.108  -4.672  10.070
  752   2HB   PHE  93          HB3       PHE  93 -12.467  -4.397  10.640
  753    HD1  PHE  93           HD1      PHE  93 -15.924  -4.465  12.046
  754    HD2  PHE  93           HD2      PHE  93 -11.826  -5.523  12.501
  755    HE1  PHE  93           HE1      PHE  93 -16.467  -5.640  14.142
  756    HE2  PHE  93           HE2      PHE  93 -12.360  -6.703  14.599
  757    HZ   PHE  93           HZ       PHE  93 -14.683  -6.765  15.421
  758    H    GLU  94           HN       GLU  94 -13.743  -2.204  13.347
  759    HA   GLU  94           HA       GLU  94 -11.495  -0.397  13.276
  760   1HB   GLU  94          HB3       GLU  94 -13.174  -1.422  15.561
  761   2HB   GLU  94          HB2       GLU  94 -11.879  -0.247  15.741
  762   1HG   GLU  94          HG3       GLU  94 -13.065   1.309  14.301
  763   2HG   GLU  94          HG2       GLU  94 -14.351   0.123  14.066
  764    H    THR  95           HN       THR  95 -12.169  -3.259  15.300
  765    HA   THR  95           HA       THR  95  -9.379  -3.630  15.841
  766    HB   THR  95           HB       THR  95 -11.622  -5.570  16.426
  767    HG1  THR  95           HG1      THR  95 -12.372  -3.862  17.455
  768   1HG2  THR  95          HG21      THR  95 -10.082  -5.657  18.589
  769   2HG2  THR  95          HG22      THR  95  -8.850  -5.229  17.403
  770   3HG2  THR  95          HG23      THR  95  -9.807  -6.696  17.189
  771    H    SER  96           HN       SER  96  -9.426  -3.644  13.206
  772    HA   SER  96           HA       SER  96  -9.730  -6.254  12.034
  773   1HB   SER  96          HB3       SER  96  -9.945  -4.126  10.739
  774   2HB   SER  96          HB2       SER  96  -8.245  -3.789  11.061
  775    HG   SER  96           HG       SER  96  -8.871  -6.242   9.877
  776    H    GLU  97           HN       GLU  97  -6.754  -4.559  11.475
  777    HA   GLU  97           HA       GLU  97  -5.230  -6.771  12.490
  778   1HB   GLU  97          HB3       GLU  97  -4.516  -5.473  10.489
  779   2HB   GLU  97          HB2       GLU  97  -4.323  -4.062  11.521
  780   1HG   GLU  97          HG2       GLU  97  -2.178  -5.094  11.086
  781   2HG   GLU  97          HG3       GLU  97  -2.593  -5.266  12.794
  782    H    TYR  98           HN       TYR  98  -4.649  -3.403  13.008
  783    HA   TYR  98           HA       TYR  98  -5.500  -2.599  15.336
  784   1HB   TYR  98          HB2       TYR  98  -3.438  -4.631  15.676
  785   2HB   TYR  98          HB3       TYR  98  -2.977  -3.096  16.407
  786    HD1  TYR  98           HD1      TYR  98  -5.206  -1.976  17.630
  787    HD2  TYR  98           HD2      TYR  98  -4.323  -6.117  17.240
  788    HE1  TYR  98           HE1      TYR  98  -6.595  -2.453  19.604
  789    HE2  TYR  98           HE2      TYR  98  -5.730  -6.602  19.200
  790    HH   TYR  98           HH       TYR  98  -7.910  -4.496  20.483
  791    H    VAL  99           HN       VAL  99  -2.976  -3.255  13.166
  792    HA   VAL  99           HA       VAL  99  -1.634  -0.692  13.290
  793    HB   VAL  99           HB       VAL  99  -1.332  -2.990  11.346
  794   1HG1  VAL  99          HG21      VAL  99   0.777  -1.926  10.688
  795   2HG1  VAL  99          HG22      VAL  99  -0.610  -0.878  10.354
  796   3HG1  VAL  99          HG23      VAL  99   0.416  -0.565  11.759
  797   1HG2  VAL  99          HG11      VAL  99   0.345  -3.848  12.645
  798   2HG2  VAL  99          HG12      VAL  99   0.710  -2.297  13.399
  799   3HG2  VAL  99          HG13      VAL  99  -0.720  -3.199  13.892
  800    H    ARG 100           HN       ARG 100  -3.818  -2.463  11.147
  801    HA   ARG 100           HA       ARG 100  -3.845  -0.963   8.893
  802   1HB   ARG 100          HB2       ARG 100  -6.195  -2.247  10.272
  803   2HB   ARG 100          HB3       ARG 100  -6.271  -1.579   8.646
  804   1HG   ARG 100          HG3       ARG 100  -4.386  -3.110   8.034
  805   2HG   ARG 100          HG2       ARG 100  -4.575  -3.858   9.617
  806   1HD   ARG 100          HD2       ARG 100  -6.781  -4.591   9.091
  807   2HD   ARG 100          HD3       ARG 100  -6.795  -3.655   7.600
  808    HE   ARG 100           HE       ARG 100  -5.487  -5.258   6.580
  809   1HH1  ARG 100          HH12      ARG 100  -6.676  -7.121   9.285
  810   2HH1  ARG 100          HH11      ARG 100  -5.101  -7.221  10.006
  811   1HH2  ARG 100          HH22      ARG 100  -4.090  -7.048   6.529
  812   2HH2  ARG 100          HH21      ARG 100  -4.057  -8.141   7.864
  813    H    LYS 101           HN       LYS 101  -5.678  -0.102  11.827
  814    HA   LYS 101           HA       LYS 101  -6.881   2.183  10.619
  815   1HB   LYS 101          HB3       LYS 101  -6.639   1.181  13.428
  816   2HB   LYS 101          HB2       LYS 101  -7.241   2.806  13.119
  817   1HG   LYS 101          HG2       LYS 101  -9.023   1.901  11.740
  818   2HG   LYS 101          HG3       LYS 101  -8.426   0.266  12.019
  819   1HD   LYS 101          HD3       LYS 101 -10.266   0.684  13.507
  820   2HD   LYS 101          HD2       LYS 101  -8.775   0.618  14.450
  821   1HE   LYS 101          HE3       LYS 101 -10.048   2.455  15.264
  822   2HE   LYS 101          HE2       LYS 101  -8.698   3.116  14.345
  823   1HZ   LYS 101          HZ1       LYS 101 -10.133   4.203  13.087
  824   2HZ   LYS 101          HZ2       LYS 101 -11.421   3.578  13.986
  825   3HZ   LYS 101          HZ3       LYS 101 -10.878   2.756  12.609
  826    H    ALA 102           HN       ALA 102  -3.874   1.643  12.309
  827    HA   ALA 102           HA       ALA 102  -3.363   4.404  12.863
  828   1HB   ALA 102          HB1       ALA 102  -2.273   2.963  14.325
  829   2HB   ALA 102          HB2       ALA 102  -1.749   1.887  13.031
  830   3HB   ALA 102          HB3       ALA 102  -0.985   3.460  13.229
  831    H    TRP 103           HN       TRP 103  -1.515   2.141  10.820
  832    HA   TRP 103           HA       TRP 103  -0.187   4.136   9.455
  833   1HB   TRP 103          HB2       TRP 103   0.853   2.474   8.316
  834   2HB   TRP 103          HB3       TRP 103   0.209   1.569   9.680
  835    HD1  TRP 103           HD1      TRP 103  -2.368   0.399   9.006
  836    HE1  TRP 103           HE1      TRP 103  -2.845  -0.993   6.883
  837    HE3  TRP 103           HE3      TRP 103   1.460   2.079   6.046
  838    HZ2  TRP 103           HZ2      TRP 103  -1.712  -1.328   4.317
  839    HZ3  TRP 103           HZ3      TRP 103   1.673   1.156   3.765
  840    HH2  TRP 103           HH2      TRP 103   0.119  -0.505   2.946
  841    H    LEU 104           HN       LEU 104  -3.438   3.348   9.087
  842    HA   LEU 104           HA       LEU 104  -3.705   3.957   6.309
  843   1HB   LEU 104          HB3       LEU 104  -5.473   2.712   7.252
  844   2HB   LEU 104          HB2       LEU 104  -5.582   3.757   8.650
  845    HG   LEU 104           HG       LEU 104  -6.286   4.874   5.978
  846   1HD1  LEU 104          HD21      LEU 104  -7.389   2.535   6.520
  847   2HD1  LEU 104          HD22      LEU 104  -8.395   3.521   7.582
  848   3HD1  LEU 104          HD23      LEU 104  -8.336   3.864   5.849
  849   1HD2  LEU 104          HD11      LEU 104  -6.556   5.523   8.791
  850   2HD2  LEU 104          HD12      LEU 104  -6.669   6.568   7.373
  851   3HD2  LEU 104          HD13      LEU 104  -8.088   5.663   7.914
  852    H    ARG 105           HN       ARG 105  -3.921   5.571   9.353
  853    HA   ARG 105           HA       ARG 105  -4.477   8.205   8.473
  854   1HB   ARG 105          HB2       ARG 105  -4.742   7.408  10.804
  855   2HB   ARG 105          HB3       ARG 105  -3.001   7.237  10.943
  856   1HG   ARG 105          HG3       ARG 105  -4.127   9.913  10.285
  857   2HG   ARG 105          HG2       ARG 105  -4.228   9.310  11.941
  858   1HD   ARG 105          HD2       ARG 105  -1.761   9.742  10.282
  859   2HD   ARG 105          HD3       ARG 105  -2.221  10.563  11.772
  860    HE   ARG 105           HE       ARG 105  -2.080   7.924  12.462
  861   1HH1  ARG 105          HH12      ARG 105   0.257  10.314  11.197
  862   2HH1  ARG 105          HH11      ARG 105   1.242   8.938  10.786
  863   1HH2  ARG 105          HH21      ARG 105   0.554   6.735  12.384
  864   2HH2  ARG 105          HH22      ARG 105   0.691   7.797  13.758
  865    H    ASP 106           HN       ASP 106  -1.569   6.287   8.741
  866    HA   ASP 106           HA       ASP 106   0.257   8.425   8.116
  867   1HB   ASP 106          HB2       ASP 106   0.618   5.425   8.080
  868   2HB   ASP 106          HB3       ASP 106   1.901   6.568   7.699
  869    H    ILE 107           HN       ILE 107  -2.006   6.706   6.394
  870    HA   ILE 107           HA       ILE 107  -0.613   6.713   3.844
  871    HB   ILE 107           HB       ILE 107  -2.991   5.443   4.864
  872   1HG1  ILE 107          HG13      ILE 107  -2.763   4.133   2.730
  873   2HG1  ILE 107          HG12      ILE 107  -1.438   5.206   2.293
  874   1HG2  ILE 107          HG21      ILE 107  -3.465   7.400   2.714
  875   2HG2  ILE 107          HG22      ILE 107  -4.132   5.787   2.448
  876   3HG2  ILE 107          HG23      ILE 107  -4.587   6.700   3.886
  877   1HD1  ILE 107          HD11      ILE 107  -0.150   4.472   4.171
  878   2HD1  ILE 107          HD12      ILE 107  -1.506   3.512   4.771
  879   3HD1  ILE 107          HD13      ILE 107  -0.710   3.063   3.268
  880    H    ALA 108           HN       ALA 108  -2.815   8.621   5.723
  881    HA   ALA 108           HA       ALA 108  -3.602  10.386   3.609
  882   1HB   ALA 108          HB1       ALA 108  -3.584  11.467   6.339
  883   2HB   ALA 108          HB2       ALA 108  -4.904  11.370   5.166
  884   3HB   ALA 108          HB3       ALA 108  -4.496   9.964   6.157
  885    H    GLU 109           HN       GLU 109  -1.285  10.426   6.255
  886    HA   GLU 109           HA       GLU 109   0.024  12.848   5.396
  887   1HB   GLU 109          HB3       GLU 109   0.918  10.805   7.432
  888   2HB   GLU 109          HB2       GLU 109   1.494  12.459   7.277
  889   1HG   GLU 109          HG3       GLU 109  -0.793  13.242   7.852
  890   2HG   GLU 109          HG2       GLU 109  -1.239  11.556   8.161
  891    H    GLU 110           HN       GLU 110   0.058  10.758   3.359
  892    HA   GLU 110           HA       GLU 110   2.571   9.463   3.516
  893   1HB   GLU 110          HB2       GLU 110   2.138   8.812   1.124
  894   2HB   GLU 110          HB3       GLU 110   0.994   8.264   2.331
  895   1HG   GLU 110          HG2       GLU 110  -0.167   8.930   0.338
  896   2HG   GLU 110          HG3       GLU 110  -0.558  10.033   1.651
  897    H    GLN 111           HN       GLN 111   3.614   9.608   1.008
  898    HA   GLN 111           HA       GLN 111   5.470  11.646   1.349
  899   1HB   GLN 111          HB2       GLN 111   5.836   9.415   0.320
  900   2HB   GLN 111          HB3       GLN 111   5.036  10.013  -1.129
  901   1HG   GLN 111          HG2       GLN 111   6.753  11.859  -1.155
  902   2HG   GLN 111          HG3       GLN 111   7.608  10.954   0.090
  903   1HE2  GLN 111          HE21      GLN 111   6.133   8.712  -1.711
  904   2HE2  GLN 111          HE22      GLN 111   7.220   8.511  -3.031
  905    H    GLU 112           HN       GLU 112   2.504  11.855  -0.593
  906    HA   GLU 112           HA       GLU 112   3.480  13.611  -2.537
  907   1HB   GLU 112          HB3       GLU 112   1.327  14.011  -3.199
  908   2HB   GLU 112          HB2       GLU 112   1.134  12.497  -2.326
  909   1HG   GLU 112          HG2       GLU 112  -0.040  13.457  -0.635
  910   2HG   GLU 112          HG3       GLU 112   0.752  15.022  -0.820
  911    H    LYS 113           HN       LYS 113   3.052  14.244   0.791
  912    HA   LYS 113           HA       LYS 113   2.677  17.081   0.561
  913   1HB   LYS 113          HB3       LYS 113   3.479  15.287   2.845
  914   2HB   LYS 113          HB2       LYS 113   3.431  17.038   3.007
  915   1HG   LYS 113          HG2       LYS 113   1.393  16.298   3.848
  916   2HG   LYS 113          HG3       LYS 113   1.025  16.898   2.232
  917   1HD   LYS 113          HD2       LYS 113   0.993  14.652   1.359
  918   2HD   LYS 113          HD3       LYS 113   1.482  14.006   2.928
  919   1HE   LYS 113          HE2       LYS 113  -1.095  15.436   2.281
  920   2HE   LYS 113          HE3       LYS 113  -0.900  13.724   2.663
  921   1HZ   LYS 113          HZ1       LYS 113  -0.816  16.047   4.441
  922   2HZ   LYS 113          HZ2       LYS 113   0.173  14.725   4.823
  923   3HZ   LYS 113          HZ3       LYS 113  -1.508  14.519   4.693
  924    H    TYR 114           HN       TYR 114   5.304  14.912   0.441
  925    HA   TYR 114           HA       TYR 114   7.562  15.111   0.687
  926   1HB   TYR 114          HB3       TYR 114   8.495  16.429  -1.222
  927   2HB   TYR 114          HB2       TYR 114   7.304  15.200  -1.621
  928    HD1  TYR 114           HD1      TYR 114   7.230  18.746  -0.588
  929    HD2  TYR 114           HD2      TYR 114   5.895  15.808  -3.318
  930    HE1  TYR 114           HE1      TYR 114   5.945  20.479  -1.796
  931    HE2  TYR 114           HE2      TYR 114   4.581  17.508  -4.541
  932    HH   TYR 114           HH       TYR 114   4.667  20.927  -3.554
  933    H    ALA 115           HN       ALA 115   6.584  16.668   2.756
  934    HA   ALA 115           HA       ALA 115   8.871  18.258   3.301
  935   1HB   ALA 115          HB1       ALA 115   6.735  19.602   2.009
  936   2HB   ALA 115          HB2       ALA 115   6.776  20.147   3.684
  937   3HB   ALA 115          HB3       ALA 115   8.215  20.288   2.678
  938    H    ALA 116           HN       ALA 116   8.696  19.297   5.488
  939    HA   ALA 116           HA       ALA 116   6.596  18.259   7.214
  940   1HB   ALA 116          HB1       ALA 116   8.991  17.674   8.595
  941   2HB   ALA 116          HB2       ALA 116   7.768  16.542   8.009
  942   3HB   ALA 116          HB3       ALA 116   9.142  16.973   6.982
  943    H    GLU 117           HN       GLU 117   6.389  19.406   9.157
  944    HA   GLU 117           HA       GLU 117   7.427  22.069   9.072
  945   1HB   GLU 117          HB2       GLU 117   6.133  22.473  11.080
  946   2HB   GLU 117          HB3       GLU 117   5.169  21.588   9.910
  947   1HG   GLU 117          HG2       GLU 117   5.395  19.561  11.129
  948   2HG   GLU 117          HG3       GLU 117   6.586  20.277  12.216
  949    H    ARG 118           HN       ARG 118   8.442  19.152  10.563
  950    HA   ARG 118           HA       ARG 118  10.266  18.585  11.766
  951   1HB   ARG 118          HB2       ARG 118  11.158  21.439  11.331
  952   2HB   ARG 118          HB3       ARG 118  12.164  20.111  11.890
  953   1HG   ARG 118          HG2       ARG 118  10.865  20.351   9.191
  954   2HG   ARG 118          HG3       ARG 118  12.585  20.544   9.560
  955   1HD   ARG 118          HD2       ARG 118  12.701  18.218  10.278
  956   2HD   ARG 118          HD3       ARG 118  10.977  18.022   9.957
  957    HE   ARG 118           HE       ARG 118  12.269  18.929   7.626
  958   1HH1  ARG 118          HH11      ARG 118  11.480  15.631   9.133
  959   2HH1  ARG 118          HH12      ARG 118  13.220  15.651   9.136
  960   1HH2  ARG 118          HH22      ARG 118  11.893  16.869   5.864
  961   2HH2  ARG 118          HH21      ARG 118  13.531  16.426   6.286
  962    H    ASP 119           HN       ASP 119  11.732  20.492  13.527
  963    HA   ASP 119           HA       ASP 119   9.731  21.305  15.455
  964   1HB   ASP 119          HB2       ASP 119  10.482  19.901  17.232
  965   2HB   ASP 119          HB3       ASP 119  10.155  18.858  15.848
  Start of MODEL   23
    1   1H    MET   1          HT1       MET   1  20.392   0.388   8.781
    2   2H    MET   1          HT2       MET   1  22.017  -0.078   8.977
    3   3H    MET   1          HT3       MET   1  21.585   1.567   9.122
    4    HA   MET   1           HA       MET   1  21.493  -0.558  11.048
    5   1HB   MET   1          HB3       MET   1  21.740   2.424  10.895
    6   2HB   MET   1          HB2       MET   1  21.172   1.771  12.387
    7   1HG   MET   1          HG3       MET   1  23.623   2.142  12.366
    8   2HG   MET   1          HG2       MET   1  23.180   0.431  12.593
    9   1HE   MET   1          HE1       MET   1  25.697   0.729  12.360
   10   2HE   MET   1          HE2       MET   1  25.991  -0.575  11.214
   11   3HE   MET   1          HE3       MET   1  26.553   1.043  10.818
   12    H    GLY   2           HN       GLY   2  19.932   0.986  12.929
   13   1HA   GLY   2          HA1       GLY   2  17.659   1.546  13.353
   14   2HA   GLY   2          HA2       GLY   2  17.219   0.817  11.816
   15    H    ASP   3           HN       ASP   3  15.697  -0.568  12.556
   16    HA   ASP   3           HA       ASP   3  16.232  -2.361  14.797
   17   1HB   ASP   3          HB3       ASP   3  13.884  -1.994  12.936
   18   2HB   ASP   3          HB2       ASP   3  13.971  -3.375  14.008
   19    H    THR   4           HN       THR   4  17.786  -3.784  14.356
   20    HA   THR   4           HA       THR   4  18.756  -5.700  13.638
   21    HB   THR   4           HB       THR   4  16.337  -6.037  11.848
   22    HG1  THR   4           HG1      THR   4  16.881  -6.647  14.559
   23   1HG2  THR   4          HG21      THR   4  18.664  -7.757  12.367
   24   2HG2  THR   4          HG22      THR   4  17.529  -7.728  10.994
   25   3HG2  THR   4          HG23      THR   4  17.057  -8.532  12.502
   26    H    GLY   5           HN       GLY   5  17.299  -3.925  10.896
   27   1HA   GLY   5          HA1       GLY   5  18.534  -2.856   9.228
   28   2HA   GLY   5          HA2       GLY   5  19.949  -3.745   9.720
   29    H    LYS   6           HN       LYS   6  17.461  -5.878   9.479
   30    HA   LYS   6           HA       LYS   6  17.954  -6.425   6.669
   31   1HB   LYS   6          HB3       LYS   6  19.530  -7.659   8.247
   32   2HB   LYS   6          HB2       LYS   6  18.130  -8.630   8.655
   33   1HG   LYS   6          HG3       LYS   6  19.426  -9.789   6.983
   34   2HG   LYS   6          HG2       LYS   6  17.887  -9.313   6.313
   35   1HD   LYS   6          HD3       LYS   6  19.034  -7.323   5.275
   36   2HD   LYS   6          HD2       LYS   6  20.549  -7.900   5.966
   37   1HE   LYS   6          HE3       LYS   6  20.252 -10.060   4.725
   38   2HE   LYS   6          HE2       LYS   6  18.928  -9.235   3.890
   39   1HZ   LYS   6          HZ1       LYS   6  21.524  -9.087   3.163
   40   2HZ   LYS   6          HZ2       LYS   6  21.239  -7.611   3.881
   41   3HZ   LYS   6          HZ3       LYS   6  20.290  -8.103   2.560
   42    H    LEU   7           HN       LEU   7  15.620  -5.526   8.362
   43    HA   LEU   7           HA       LEU   7  13.783  -7.771   8.081
   44   1HB   LEU   7          HB3       LEU   7  13.206  -4.989   9.078
   45   2HB   LEU   7          HB2       LEU   7  12.170  -6.362   9.219
   46    HG   LEU   7           HG       LEU   7  14.843  -6.017  10.641
   47   1HD1  LEU   7          HD21      LEU   7  13.653  -5.826  12.577
   48   2HD1  LEU   7          HD22      LEU   7  12.940  -4.648  11.420
   49   3HD1  LEU   7          HD23      LEU   7  12.105  -6.177  11.814
   50   1HD2  LEU   7          HD11      LEU   7  14.846  -8.249  10.746
   51   2HD2  LEU   7          HD12      LEU   7  13.446  -8.069  11.783
   52   3HD2  LEU   7          HD13      LEU   7  13.192  -8.375  10.059
   53    H    GLY   8           HN       GLY   8  14.762  -4.959   6.371
   54   1HA   GLY   8          HA1       GLY   8  14.077  -4.077   4.446
   55   2HA   GLY   8          HA2       GLY   8  13.113  -5.520   4.125
   56    H    ARG   9           HN       ARG   9  12.905  -3.048   6.691
   57    HA   ARG   9           HA       ARG   9  10.138  -2.538   5.763
   58   1HB   ARG   9          HB3       ARG   9  11.243  -2.873   8.618
   59   2HB   ARG   9          HB2       ARG   9   9.566  -2.457   8.249
   60   1HG   ARG   9          HG2       ARG   9   9.223  -4.585   7.048
   61   2HG   ARG   9          HG3       ARG   9  10.871  -5.016   7.499
   62   1HD   ARG   9          HD3       ARG   9  10.343  -5.322   9.683
   63   2HD   ARG   9          HD2       ARG   9   8.990  -4.193   9.569
   64    HE   ARG   9           HE       ARG   9   7.690  -6.084   9.273
   65   1HH1  ARG   9          HH12      ARG   9  10.784  -7.275   7.416
   66   2HH1  ARG   9          HH11      ARG   9  10.684  -8.317   8.822
   67   1HH2  ARG   9          HH22      ARG   9   7.480  -8.547   9.014
   68   2HH2  ARG   9          HH21      ARG   9   7.830  -8.594   7.310
   69    H    ILE  10           HN       ILE  10  11.818  -0.876   4.817
   70    HA   ILE  10           HA       ILE  10  12.826   1.172   6.427
   71    HB   ILE  10           HB       ILE  10  13.371   0.907   4.085
   72   1HG1  ILE  10          HG12      ILE  10  13.597   3.303   3.582
   73   2HG1  ILE  10          HG13      ILE  10  12.474   3.598   4.922
   74   1HG2  ILE  10          HG21      ILE  10  11.704   0.657   2.668
   75   2HG2  ILE  10          HG22      ILE  10  10.585   1.625   3.669
   76   3HG2  ILE  10          HG23      ILE  10  11.737   2.406   2.585
   77   1HD1  ILE  10          HD11      ILE  10  14.403   3.801   6.114
   78   2HD1  ILE  10          HD12      ILE  10  14.375   2.013   6.112
   79   3HD1  ILE  10          HD13      ILE  10  15.330   2.918   4.932
   80    H    ILE  11           HN       ILE  11   9.585   0.748   5.014
   81    HA   ILE  11           HA       ILE  11   8.754   3.008   6.665
   82    HB   ILE  11           HB       ILE  11   7.605   2.197   4.031
   83   1HG1  ILE  11          HG12      ILE  11   8.877   4.715   5.152
   84   2HG1  ILE  11          HG13      ILE  11   9.525   3.692   3.864
   85   1HG2  ILE  11          HG21      ILE  11   6.215   3.323   6.232
   86   2HG2  ILE  11          HG22      ILE  11   6.272   4.484   4.904
   87   3HG2  ILE  11          HG23      ILE  11   5.574   2.865   4.673
   88   1HD1  ILE  11          HD11      ILE  11   6.934   4.576   3.025
   89   2HD1  ILE  11          HD12      ILE  11   7.904   5.971   3.545
   90   3HD1  ILE  11          HD13      ILE  11   8.535   4.888   2.285
   91    H    ARG  12           HN       ARG  12   6.489   0.841   5.078
   92    HA   ARG  12           HA       ARG  12   6.200  -0.813   7.376
   93   1HB   ARG  12          HB2       ARG  12   4.973   1.518   7.684
   94   2HB   ARG  12          HB3       ARG  12   3.740   0.662   6.720
   95   1HG   ARG  12          HG3       ARG  12   3.473  -1.003   8.389
   96   2HG   ARG  12          HG2       ARG  12   4.932  -0.446   9.256
   97   1HD   ARG  12          HD3       ARG  12   2.295   1.020   8.960
   98   2HD   ARG  12          HD2       ARG  12   2.955   0.291  10.428
   99    HE   ARG  12           HE       ARG  12   4.783   2.168   9.475
  100   1HH1  ARG  12          HH12      ARG  12   1.636   2.658  11.620
  101   2HH1  ARG  12          HH11      ARG  12   1.321   3.539  10.150
  102   1HH2  ARG  12          HH22      ARG  12   4.418   4.376  11.440
  103   2HH2  ARG  12          HH21      ARG  12   3.726   4.983   9.989
  104    H    HIS  13           HN       HIS  13   4.189  -2.258   7.122
  105    HA   HIS  13           HA       HIS  13   3.158  -2.520   4.430
  106   1HB   HIS  13          HB2       HIS  13   4.062  -4.641   3.900
  107   2HB   HIS  13          HB3       HIS  13   5.465  -3.761   4.466
  108    HD1  HIS  13           HD1      HIS  13   5.471  -4.211   7.410
  109    HD2  HIS  13           HD2      HIS  13   4.325  -7.156   4.719
  110    HE1  HIS  13           HE1      HIS  13   5.831  -6.435   8.573
  111    HE2  HIS  13           HE2      HIS  13   4.751  -8.116   7.061
  112    H    ASP  14           HN       ASP  14   1.165  -3.409   4.490
  113    HA   ASP  14           HA       ASP  14   0.336  -4.848   6.890
  114   1HB   ASP  14          HB2       ASP  14  -0.169  -2.291   6.909
  115   2HB   ASP  14          HB3       ASP  14  -1.452  -2.726   5.832
  116    H    ALA  15           HN       ALA  15  -2.450  -4.821   6.170
  117    HA   ALA  15           HA       ALA  15  -2.514  -5.997   3.488
  118   1HB   ALA  15          HB1       ALA  15  -2.192  -7.655   5.865
  119   2HB   ALA  15          HB2       ALA  15  -3.722  -7.975   5.032
  120   3HB   ALA  15          HB3       ALA  15  -2.214  -8.134   4.131
  121    H    PHE  16           HN       PHE  16  -4.425  -5.716   2.575
  122    HA   PHE  16           HA       PHE  16  -6.811  -5.211   4.270
  123   1HB   PHE  16          HB2       PHE  16  -5.794  -3.603   1.882
  124   2HB   PHE  16          HB3       PHE  16  -7.456  -3.531   2.433
  125    HD1  PHE  16           HD1      PHE  16  -7.535  -3.166   5.126
  126    HD2  PHE  16           HD2      PHE  16  -4.376  -2.048   2.561
  127    HE1  PHE  16           HE1      PHE  16  -6.867  -1.429   6.723
  128    HE2  PHE  16           HE2      PHE  16  -3.695  -0.318   4.162
  129    HZ   PHE  16           HZ       PHE  16  -4.918  -0.011   6.260
  130    H    GLN  17           HN       GLN  17  -8.754  -5.933   3.387
  131    HA   GLN  17           HA       GLN  17  -8.546  -7.543   0.911
  132   1HB   GLN  17          HB3       GLN  17  -8.670  -8.931   2.963
  133   2HB   GLN  17          HB2       GLN  17 -10.210  -8.173   3.405
  134   1HG   GLN  17          HG2       GLN  17 -11.180  -9.087   1.321
  135   2HG   GLN  17          HG3       GLN  17  -9.673  -9.893   1.034
  136   1HE2  GLN  17          HE21      GLN  17  -9.633 -11.900   1.598
  137   2HE2  GLN  17          HE22      GLN  17 -10.246 -12.511   3.122
  138    H    VAL  18           HN       VAL  18  -9.227  -5.453  -0.006
  139    HA   VAL  18           HA       VAL  18 -12.118  -5.102   0.107
  140    HB   VAL  18           HB       VAL  18 -11.191  -3.492   1.605
  141   1HG1  VAL  18          HG11      VAL  18  -9.454  -1.859   0.497
  142   2HG1  VAL  18          HG12      VAL  18  -8.948  -3.401   1.219
  143   3HG1  VAL  18          HG13      VAL  18  -9.125  -3.260  -0.551
  144   1HG2  VAL  18          HG21      VAL  18 -11.512  -1.861  -0.909
  145   2HG2  VAL  18          HG22      VAL  18 -12.852  -2.744  -0.236
  146   3HG2  VAL  18          HG23      VAL  18 -12.093  -1.503   0.734
  147    H    TRP  19           HN       TRP  19 -13.030  -4.268  -1.684
  148    HA   TRP  19           HA       TRP  19 -12.405  -5.239  -4.085
  149   1HB   TRP  19          HB2       TRP  19 -13.927  -2.655  -3.725
  150   2HB   TRP  19          HB3       TRP  19 -14.174  -3.922  -4.912
  151    HD1  TRP  19           HD1      TRP  19 -15.426  -6.174  -4.162
  152    HE1  TRP  19           HE1      TRP  19 -16.943  -6.647  -2.031
  153    HE3  TRP  19           HE3      TRP  19 -14.290  -2.081  -1.199
  154    HZ2  TRP  19           HZ2      TRP  19 -17.548  -5.510   0.398
  155    HZ3  TRP  19           HZ3      TRP  19 -15.372  -1.868   0.987
  156    HH2  TRP  19           HH2      TRP  19 -16.954  -3.541   1.813
  157    H    GLU  20           HN       GLU  20 -11.610  -4.508  -6.043
  158    HA   GLU  20           HA       GLU  20  -9.612  -2.400  -5.888
  159   1HB   GLU  20          HB3       GLU  20 -10.244  -4.491  -7.978
  160   2HB   GLU  20          HB2       GLU  20  -9.110  -3.199  -8.268
  161   1HG   GLU  20          HG3       GLU  20  -7.597  -4.074  -6.668
  162   2HG   GLU  20          HG2       GLU  20  -8.876  -5.048  -5.935
  163    H    GLY  21           HN       GLY  21 -12.483  -1.868  -5.936
  164   1HA   GLY  21          HA1       GLY  21 -13.579   0.078  -6.727
  165   2HA   GLY  21          HA2       GLY  21 -12.491   0.167  -8.105
  166    H    ASP  22           HN       ASP  22 -15.232  -1.532  -6.669
  167    HA   ASP  22           HA       ASP  22 -16.995  -2.618  -7.497
  168   1HB   ASP  22          HB2       ASP  22 -16.166  -1.253 -10.069
  169   2HB   ASP  22          HB3       ASP  22 -17.598  -2.293  -9.944
  170    H    GLU  23           HN       GLU  23 -14.176  -3.615  -7.631
  171    HA   GLU  23           HA       GLU  23 -14.610  -5.918  -9.384
  172   1HB   GLU  23          HB3       GLU  23 -12.067  -4.623  -8.381
  173   2HB   GLU  23          HB2       GLU  23 -12.096  -6.280  -9.063
  174   1HG   GLU  23          HG3       GLU  23 -12.934  -3.754 -10.495
  175   2HG   GLU  23          HG2       GLU  23 -11.402  -4.581 -10.719
  176    HA   PRO  24           HA       PRO  24 -15.226  -8.729  -6.079
  177   1HB   PRO  24          HB3       PRO  24 -12.859 -10.213  -7.111
  178   2HB   PRO  24          HB2       PRO  24 -14.434 -10.806  -6.707
  179   1HG   PRO  24          HG3       PRO  24 -13.817 -10.445  -9.230
  180   2HG   PRO  24          HG2       PRO  24 -15.393 -10.011  -8.695
  181   1HD   PRO  24          HD3       PRO  24 -13.096  -8.248  -9.345
  182   2HD   PRO  24          HD2       PRO  24 -14.811  -7.947  -9.534
  183    HA   PRO  25           HA       PRO  25 -12.378  -7.497  -2.898
  184   1HB   PRO  25          HB3       PRO  25 -13.276  -9.094  -0.981
  185   2HB   PRO  25          HB2       PRO  25 -14.119  -7.624  -1.437
  186   1HG   PRO  25          HG3       PRO  25 -14.687 -10.449  -2.111
  187   2HG   PRO  25          HG2       PRO  25 -15.810  -9.150  -1.784
  188   1HD   PRO  25          HD2       PRO  25 -15.248 -10.054  -4.273
  189   2HD   PRO  25          HD3       PRO  25 -15.769  -8.369  -3.933
  190    H    LYS  26           HN       LYS  26 -10.449  -8.232  -2.011
  191    HA   LYS  26           HA       LYS  26  -9.713 -11.040  -2.005
  192   1HB   LYS  26          HB2       LYS  26  -9.427 -10.604  -4.316
  193   2HB   LYS  26          HB3       LYS  26  -8.658  -9.070  -4.012
  194   1HG   LYS  26          HG2       LYS  26  -6.639 -10.145  -3.249
  195   2HG   LYS  26          HG3       LYS  26  -7.436 -11.745  -3.307
  196   1HD   LYS  26          HD3       LYS  26  -5.976 -11.195  -5.265
  197   2HD   LYS  26          HD2       LYS  26  -7.623 -11.673  -5.688
  198   1HE   LYS  26          HE2       LYS  26  -8.151  -9.227  -5.810
  199   2HE   LYS  26          HE3       LYS  26  -6.437  -8.858  -5.556
  200   1HZ   LYS  26          HZ1       LYS  26  -7.049  -8.740  -7.857
  201   2HZ   LYS  26          HZ2       LYS  26  -7.557 -10.356  -7.850
  202   3HZ   LYS  26          HZ3       LYS  26  -5.923  -9.975  -7.599
  203    H    LEU  27           HN       LEU  27  -7.758 -11.374  -0.868
  204    HA   LEU  27           HA       LEU  27  -7.046  -9.264   0.947
  205   1HB   LEU  27          HB3       LEU  27  -7.322 -11.771   1.461
  206   2HB   LEU  27          HB2       LEU  27  -5.756 -11.985   0.713
  207    HG   LEU  27           HG       LEU  27  -6.090 -10.066   3.038
  208   1HD1  LEU  27          HD11      LEU  27  -4.840 -12.406   3.943
  209   2HD1  LEU  27          HD12      LEU  27  -6.503 -11.852   4.320
  210   3HD1  LEU  27          HD13      LEU  27  -6.214 -12.975   3.025
  211   1HD2  LEU  27          HD21      LEU  27  -3.599 -11.499   2.817
  212   2HD2  LEU  27          HD22      LEU  27  -3.937 -10.770   1.270
  213   3HD2  LEU  27          HD23      LEU  27  -3.854  -9.767   2.734
  214    H    ARG  28           HN       ARG  28  -5.369  -7.969   0.770
  215    HA   ARG  28           HA       ARG  28  -3.202  -8.611  -1.135
  216   1HB   ARG  28          HB3       ARG  28  -4.629  -5.961  -0.959
  217   2HB   ARG  28          HB2       ARG  28  -3.199  -6.276  -1.962
  218   1HG   ARG  28          HG3       ARG  28  -4.439  -7.917  -3.262
  219   2HG   ARG  28          HG2       ARG  28  -5.912  -7.620  -2.279
  220   1HD   ARG  28          HD3       ARG  28  -5.723  -5.171  -2.953
  221   2HD   ARG  28          HD2       ARG  28  -4.501  -5.707  -4.129
  222    HE   ARG  28           HE       ARG  28  -6.245  -6.432  -5.440
  223   1HH1  ARG  28          HH11      ARG  28  -7.769  -7.035  -2.113
  224   2HH1  ARG  28          HH12      ARG  28  -8.693  -5.643  -2.592
  225   1HH2  ARG  28          HH22      ARG  28  -8.359  -7.104  -5.920
  226   2HH2  ARG  28          HH21      ARG  28  -9.571  -7.162  -4.681
  227    H    TYR  29           HN       TYR  29  -1.225  -8.217  -0.330
  228    HA   TYR  29           HA       TYR  29  -0.985  -7.027   2.361
  229   1HB   TYR  29          HB2       TYR  29   1.060  -8.384   0.542
  230   2HB   TYR  29          HB3       TYR  29   1.346  -7.827   2.163
  231    HD1  TYR  29           HD1      TYR  29  -0.828  -8.761   3.796
  232    HD2  TYR  29           HD2      TYR  29   1.113 -10.691   0.523
  233    HE1  TYR  29           HE1      TYR  29  -1.465 -10.978   4.699
  234    HE2  TYR  29           HE2      TYR  29   0.438 -12.844   1.364
  235    HH   TYR  29           HH       TYR  29  -0.267 -13.967   3.271
  236    H    VAL  30           HN       VAL  30  -1.099  -4.828   2.161
  237    HA   VAL  30           HA       VAL  30   0.068  -3.364   0.012
  238    HB   VAL  30           HB       VAL  30  -1.022  -2.475   2.704
  239   1HG1  VAL  30          HG21      VAL  30  -1.070  -0.405   0.702
  240   2HG1  VAL  30          HG22      VAL  30  -0.251  -0.412   2.242
  241   3HG1  VAL  30          HG23      VAL  30   0.567  -1.016   0.845
  242   1HG2  VAL  30          HG11      VAL  30  -2.148  -2.665  -0.088
  243   2HG2  VAL  30          HG12      VAL  30  -2.807  -3.393   1.402
  244   3HG2  VAL  30          HG13      VAL  30  -2.905  -1.650   1.173
  245    H    PHE  31           HN       PHE  31   2.218  -3.531  -0.203
  246    HA   PHE  31           HA       PHE  31   3.956  -3.133   2.145
  247   1HB   PHE  31          HB3       PHE  31   4.612  -4.109  -0.665
  248   2HB   PHE  31          HB2       PHE  31   5.787  -3.855   0.646
  249    HD1  PHE  31           HD1      PHE  31   5.814  -6.357  -0.657
  250    HD2  PHE  31           HD2      PHE  31   3.236  -5.006   2.424
  251    HE1  PHE  31           HE1      PHE  31   5.478  -8.736   0.048
  252    HE2  PHE  31           HE2      PHE  31   2.815  -7.367   3.106
  253    HZ   PHE  31           HZ       PHE  31   3.984  -9.188   1.937
  254    H    LEU  32           HN       LEU  32   4.595  -1.117   2.529
  255    HA   LEU  32           HA       LEU  32   4.990   0.674   0.207
  256   1HB   LEU  32          HB3       LEU  32   3.228   1.671   1.293
  257   2HB   LEU  32          HB2       LEU  32   3.719   1.089   2.850
  258    HG   LEU  32           HG       LEU  32   5.365   2.735   3.112
  259   1HD1  LEU  32          HD21      LEU  32   4.646   4.487   0.881
  260   2HD1  LEU  32          HD22      LEU  32   6.233   3.923   1.391
  261   3HD1  LEU  32          HD23      LEU  32   5.254   2.925   0.303
  262   1HD2  LEU  32          HD11      LEU  32   3.835   4.799   2.986
  263   2HD2  LEU  32          HD12      LEU  32   2.583   3.697   2.360
  264   3HD2  LEU  32          HD13      LEU  32   3.312   3.444   3.972
  265    H    PHE  33           HN       PHE  33   6.844   1.460  -0.067
  266    HA   PHE  33           HA       PHE  33   8.796   1.666   2.188
  267   1HB   PHE  33          HB3       PHE  33   9.375   0.316  -0.444
  268   2HB   PHE  33          HB2       PHE  33  10.506   0.540   0.876
  269    HD1  PHE  33           HD1      PHE  33   9.651  -0.369   3.206
  270    HD2  PHE  33           HD2      PHE  33   8.599  -1.847  -0.625
  271    HE1  PHE  33           HE1      PHE  33   8.969  -2.535   4.244
  272    HE2  PHE  33           HE2      PHE  33   7.995  -4.009   0.371
  273    HZ   PHE  33           HZ       PHE  33   8.164  -4.361   2.789
  274    H    ARG  34           HN       ARG  34  11.036   2.366   0.796
  275    HA   ARG  34           HA       ARG  34  10.351   5.038  -0.089
  276   1HB   ARG  34          HB3       ARG  34  13.003   3.653   0.376
  277   2HB   ARG  34          HB2       ARG  34  12.865   5.320  -0.169
  278   1HG   ARG  34          HG3       ARG  34  11.532   4.330   2.353
  279   2HG   ARG  34          HG2       ARG  34  13.195   4.897   2.332
  280   1HD   ARG  34          HD2       ARG  34  10.862   6.539   1.333
  281   2HD   ARG  34          HD3       ARG  34  11.460   6.610   3.007
  282    HE   ARG  34           HE       ARG  34  13.615   7.048   1.280
  283   1HH1  ARG  34          HH12      ARG  34  10.635   9.012   0.890
  284   2HH1  ARG  34          HH11      ARG  34  10.905   9.488   2.512
  285   1HH2  ARG  34          HH21      ARG  34  13.960   9.402   0.312
  286   2HH2  ARG  34          HH22      ARG  34  13.568  10.436   1.649
  287    H    ASN  35           HN       ASN  35   9.192   3.788  -1.921
  288    HA   ASN  35           HA       ASN  35  10.681   4.304  -4.324
  289   1HB   ASN  35          HB2       ASN  35  11.535   2.042  -3.736
  290   2HB   ASN  35          HB3       ASN  35   9.875   1.455  -3.760
  291   1HD2  ASN  35          HD21      ASN  35   9.241   0.504  -5.526
  292   2HD2  ASN  35          HD22      ASN  35   9.803   0.881  -7.149
  293    H    LYS  36           HN       LYS  36   8.019   2.202  -3.240
  294    HA   LYS  36           HA       LYS  36   5.951   3.900  -4.108
  295   1HB   LYS  36          HB2       LYS  36   5.047   2.641  -5.964
  296   2HB   LYS  36          HB3       LYS  36   6.712   3.117  -6.332
  297   1HG   LYS  36          HG3       LYS  36   7.482   0.881  -5.982
  298   2HG   LYS  36          HG2       LYS  36   5.970   0.389  -5.232
  299   1HD   LYS  36          HD3       LYS  36   4.834   0.415  -7.292
  300   2HD   LYS  36          HD2       LYS  36   6.100   1.468  -8.000
  301   1HE   LYS  36          HE2       LYS  36   7.670  -0.411  -7.870
  302   2HE   LYS  36          HE3       LYS  36   6.428  -1.438  -7.183
  303   1HZ   LYS  36          HZ1       LYS  36   5.188  -0.644  -9.424
  304   2HZ   LYS  36          HZ2       LYS  36   6.221  -2.022  -9.393
  305   3HZ   LYS  36          HZ3       LYS  36   6.809  -0.534  -9.940
  306    H    ILE  37           HN       ILE  37   3.885   2.403  -4.325
  307    HA   ILE  37           HA       ILE  37   3.924   0.750  -1.868
  308    HB   ILE  37           HB       ILE  37   1.508   1.920  -3.267
  309   1HG1  ILE  37          HG12      ILE  37   3.046   2.920  -0.836
  310   2HG1  ILE  37          HG13      ILE  37   3.101   3.687  -2.414
  311   1HG2  ILE  37          HG21      ILE  37   1.646   1.066  -0.377
  312   2HG2  ILE  37          HG22      ILE  37   0.280   1.211  -1.443
  313   3HG2  ILE  37          HG23      ILE  37   1.401  -0.138  -1.708
  314   1HD1  ILE  37          HD11      ILE  37   0.352   3.482  -1.716
  315   2HD1  ILE  37          HD12      ILE  37   1.228   4.096  -0.286
  316   3HD1  ILE  37          HD13      ILE  37   1.350   4.918  -1.826
  317    H    MET  38           HN       MET  38   4.716  -1.118  -2.915
  318    HA   MET  38           HA       MET  38   3.187  -2.301  -5.054
  319   1HB   MET  38          HB2       MET  38   5.636  -2.507  -4.975
  320   2HB   MET  38          HB3       MET  38   5.481  -3.427  -3.494
  321   1HG   MET  38          HG2       MET  38   4.338  -5.204  -4.688
  322   2HG   MET  38          HG3       MET  38   4.318  -4.263  -6.180
  323   1HE   MET  38          HE1       MET  38   6.375  -6.649  -7.573
  324   2HE   MET  38          HE2       MET  38   6.465  -7.488  -6.057
  325   3HE   MET  38          HE3       MET  38   4.953  -6.758  -6.550
  326    H    PHE  39           HN       PHE  39   1.263  -3.189  -4.405
  327    HA   PHE  39           HA       PHE  39   1.295  -4.700  -1.923
  328   1HB   PHE  39          HB2       PHE  39  -1.194  -4.476  -1.842
  329   2HB   PHE  39          HB3       PHE  39  -0.310  -2.949  -1.747
  330    HD1  PHE  39           HD1      PHE  39  -3.030  -4.527  -3.149
  331    HD2  PHE  39           HD2      PHE  39   0.029  -1.797  -4.131
  332    HE1  PHE  39           HE1      PHE  39  -4.420  -3.625  -4.970
  333    HE2  PHE  39           HE2      PHE  39  -1.333  -0.883  -5.963
  334    HZ   PHE  39           HZ       PHE  39  -3.560  -1.845  -6.422
  335    H    THR  40           HN       THR  40   1.590  -6.746  -2.146
  336    HA   THR  40           HA       THR  40   0.858  -8.101  -4.624
  337    HB   THR  40           HB       THR  40   1.829 -10.121  -3.319
  338    HG1  THR  40           HG1      THR  40   1.541  -9.622  -1.242
  339   1HG2  THR  40          HG21      THR  40   4.096  -9.432  -3.400
  340   2HG2  THR  40          HG22      THR  40   3.630  -7.724  -3.339
  341   3HG2  THR  40          HG23      THR  40   3.242  -8.687  -4.778
  342    H    GLU  41           HN       GLU  41  -0.692  -9.842  -4.709
  343    HA   GLU  41           HA       GLU  41  -2.708  -9.643  -2.582
  344   1HB   GLU  41          HB2       GLU  41  -4.122 -10.511  -4.719
  345   2HB   GLU  41          HB3       GLU  41  -3.962  -8.808  -4.285
  346   1HG   GLU  41          HG3       GLU  41  -2.277  -8.417  -5.867
  347   2HG   GLU  41          HG2       GLU  41  -2.081 -10.133  -6.208
  348    H    GLN  42           HN       GLN  42  -4.287 -11.527  -2.709
  349    HA   GLN  42           HA       GLN  42  -3.490 -14.070  -3.630
  350   1HB   GLN  42          HB2       GLN  42  -1.799 -13.973  -1.924
  351   2HB   GLN  42          HB3       GLN  42  -2.999 -13.534  -0.675
  352   1HG   GLN  42          HG2       GLN  42  -4.116 -15.722  -1.117
  353   2HG   GLN  42          HG3       GLN  42  -2.815 -16.161  -2.236
  354   1HE2  GLN  42          HE21      GLN  42  -1.723 -17.694  -1.224
  355   2HE2  GLN  42          HE22      GLN  42  -1.254 -17.699   0.435
  356    H    ASP  43           HN       ASP  43  -5.481 -14.944  -3.965
  357    HA   ASP  43           HA       ASP  43  -7.422 -14.776  -1.754
  358   1HB   ASP  43          HB3       ASP  43  -8.039 -12.977  -3.306
  359   2HB   ASP  43          HB2       ASP  43  -8.101 -14.107  -4.627
  360    H    ALA  44           HN       ALA  44  -7.379 -16.869  -1.275
  361    HA   ALA  44           HA       ALA  44  -7.556 -19.162  -1.415
  362   1HB   ALA  44          HB1       ALA  44  -9.879 -18.151  -2.101
  363   2HB   ALA  44          HB2       ALA  44  -9.490 -18.845  -3.698
  364   3HB   ALA  44          HB3       ALA  44  -9.538 -19.889  -2.235
  365    H    SER  45           HN       SER  45  -8.401 -20.345  -4.258
  366    HA   SER  45           HA       SER  45  -6.082 -19.789  -5.812
  367   1HB   SER  45          HB2       SER  45  -5.141 -21.204  -3.981
  368   2HB   SER  45          HB3       SER  45  -6.220 -22.486  -4.478
  369    HG   SER  45           HG       SER  45  -5.176 -22.702  -6.422
  370    H    THR  46           HN       THR  46  -6.336 -20.248  -7.847
  371    HA   THR  46           HA       THR  46  -7.153 -20.861  -9.822
  372    HB   THR  46           HB       THR  46  -8.163 -23.472  -8.993
  373    HG1  THR  46           HG1      THR  46  -5.453 -22.780  -8.547
  374   1HG2  THR  46          HG21      THR  46  -5.858 -22.689 -10.750
  375   2HG2  THR  46          HG22      THR  46  -7.551 -22.809 -11.319
  376   3HG2  THR  46          HG23      THR  46  -6.705 -24.277 -10.714
  377    H    SER  47           HN       SER  47  -9.711 -21.541  -7.362
  378    HA   SER  47           HA       SER  47 -11.645 -21.474  -9.497
  379   1HB   SER  47          HB2       SER  47 -12.187 -21.869  -6.537
  380   2HB   SER  47          HB3       SER  47 -13.232 -22.265  -7.842
  381    HG   SER  47           HG       SER  47 -11.336 -23.619  -8.564
  382    HA   PRO  48           HA       PRO  48 -13.317 -17.663  -7.124
  383   1HB   PRO  48          HB2       PRO  48 -11.291 -16.874  -5.221
  384   2HB   PRO  48          HB3       PRO  48 -12.973 -17.244  -4.894
  385   1HG   PRO  48          HG2       PRO  48 -11.096 -18.875  -4.002
  386   2HG   PRO  48          HG3       PRO  48 -12.560 -19.529  -4.660
  387   1HD   PRO  48          HD3       PRO  48  -9.962 -19.170  -6.069
  388   2HD   PRO  48          HD2       PRO  48 -10.973 -20.645  -5.974
  389    HA   PRO  49           HA       PRO  49 -11.477 -14.117  -9.173
  390   1HB   PRO  49          HB2       PRO  49 -10.505 -12.982  -6.570
  391   2HB   PRO  49          HB3       PRO  49 -11.380 -12.164  -7.885
  392   1HG   PRO  49          HG3       PRO  49 -12.582 -12.935  -5.576
  393   2HG   PRO  49          HG2       PRO  49 -13.421 -12.887  -7.113
  394   1HD   PRO  49          HD2       PRO  49 -12.634 -15.186  -5.553
  395   2HD   PRO  49          HD3       PRO  49 -13.771 -15.108  -6.914
  396    H    SER  50           HN       SER  50  -9.587 -15.162  -6.358
  397    HA   SER  50           HA       SER  50  -7.492 -15.590  -5.960
  398   1HB   SER  50          HB2       SER  50  -6.118 -16.730  -7.721
  399   2HB   SER  50          HB3       SER  50  -7.691 -17.413  -7.468
  400    HG   SER  50           HG       SER  50  -8.028 -15.654  -9.331
  401    H    TYR  51           HN       TYR  51  -5.056 -15.225  -6.736
  402    HA   TYR  51           HA       TYR  51  -4.999 -12.312  -7.224
  403   1HB   TYR  51          HB3       TYR  51  -3.207 -12.161  -5.801
  404   2HB   TYR  51          HB2       TYR  51  -3.971 -13.625  -5.187
  405    HD1  TYR  51           HD1      TYR  51  -1.216 -12.402  -7.417
  406    HD2  TYR  51           HD2      TYR  51  -2.715 -15.661  -5.065
  407    HE1  TYR  51           HE1      TYR  51   0.915 -13.595  -7.645
  408    HE2  TYR  51           HE2      TYR  51  -0.608 -16.814  -5.377
  409    HH   TYR  51           HH       TYR  51   1.451 -16.488  -7.501
  410    H    THR  52           HN       THR  52  -3.441 -11.331  -8.466
  411    HA   THR  52           HA       THR  52  -1.671 -12.646 -10.246
  412    HB   THR  52           HB       THR  52  -3.739 -13.419 -11.308
  413    HG1  THR  52           HG1      THR  52  -2.855 -13.110 -13.197
  414   1HG2  THR  52          HG21      THR  52  -4.579 -10.992 -12.541
  415   2HG2  THR  52          HG22      THR  52  -4.753 -10.851 -10.788
  416   3HG2  THR  52          HG23      THR  52  -5.538 -12.175 -11.675
  417    H    HIS  53           HN       HIS  53  -1.525 -10.766 -12.309
  418    HA   HIS  53           HA       HIS  53  -0.975  -8.621 -12.796
  419   1HB   HIS  53          HB3       HIS  53  -2.298  -7.784 -10.204
  420   2HB   HIS  53          HB2       HIS  53  -1.838  -6.731 -11.553
  421    HD1  HIS  53           HD1      HIS  53  -3.166  -8.137 -13.907
  422    HD2  HIS  53           HD2      HIS  53  -4.925  -7.831 -10.152
  423    HE1  HIS  53           HE1      HIS  53  -5.630  -8.242 -14.298
  424    HE2  HIS  53           HE2      HIS  53  -6.698  -7.817 -12.066
  425    H    TYR  54           HN       TYR  54  -0.698  -8.873  -9.265
  426    HA   TYR  54           HA       TYR  54   1.034  -8.523  -7.812
  427   1HB   TYR  54          HB3       TYR  54   2.751  -8.596 -10.308
  428   2HB   TYR  54          HB2       TYR  54   3.419  -8.314  -8.668
  429    HD1  TYR  54           HD1      TYR  54   1.166 -10.780 -10.354
  430    HD2  TYR  54           HD2      TYR  54   4.361 -10.117  -7.683
  431    HE1  TYR  54           HE1      TYR  54   1.324 -13.220  -9.964
  432    HE2  TYR  54           HE2      TYR  54   4.679 -12.548  -7.415
  433    HH   TYR  54           HH       TYR  54   2.704 -14.620  -7.731
  434    H    SER  55           HN       SER  55  -0.564  -6.757  -8.195
  435    HA   SER  55           HA       SER  55  -0.114  -4.310  -9.382
  436   1HB   SER  55          HB3       SER  55  -1.604  -3.542  -7.336
  437   2HB   SER  55          HB2       SER  55  -2.286  -4.557  -8.618
  438    HG   SER  55           HG       SER  55  -1.187  -5.514  -6.130
  439    H    SER  56           HN       SER  56   0.441  -2.296  -8.660
  440    HA   SER  56           HA       SER  56   1.769  -1.838  -6.164
  441   1HB   SER  56          HB2       SER  56   3.870  -1.021  -7.286
  442   2HB   SER  56          HB3       SER  56   3.666  -2.760  -7.234
  443    HG   SER  56           HG       SER  56   2.544  -2.158  -9.434
  444    H    ILE  57           HN       ILE  57   2.057   0.413  -5.735
  445    HA   ILE  57           HA       ILE  57   0.686   2.122  -7.682
  446    HB   ILE  57           HB       ILE  57   0.344   1.987  -4.728
  447   1HG1  ILE  57          HG12      ILE  57  -1.121   0.660  -6.271
  448   2HG1  ILE  57          HG13      ILE  57  -1.981   1.753  -5.193
  449   1HG2  ILE  57          HG21      ILE  57   0.232   4.355  -6.423
  450   2HG2  ILE  57          HG22      ILE  57  -1.249   4.087  -5.459
  451   3HG2  ILE  57          HG23      ILE  57   0.311   4.278  -4.663
  452   1HD1  ILE  57          HD11      ILE  57  -1.378   3.000  -7.693
  453   2HD1  ILE  57          HD12      ILE  57  -2.258   1.512  -7.930
  454   3HD1  ILE  57          HD13      ILE  57  -2.916   2.778  -6.935
  455    H    ARG  58           HN       ARG  58   1.960   3.545  -8.483
  456    HA   ARG  58           HA       ARG  58   4.495   4.329  -7.412
  457   1HB   ARG  58          HB2       ARG  58   4.528   5.876  -9.263
  458   2HB   ARG  58          HB3       ARG  58   3.887   4.330  -9.855
  459   1HG   ARG  58          HG3       ARG  58   1.600   5.285  -9.554
  460   2HG   ARG  58          HG2       ARG  58   2.325   6.853  -9.206
  461   1HD   ARG  58          HD2       ARG  58   2.604   5.262 -11.742
  462   2HD   ARG  58          HD3       ARG  58   1.613   6.742 -11.532
  463    HE   ARG  58           HE       ARG  58   4.186   7.448 -10.836
  464   1HH1  ARG  58          HH11      ARG  58   2.570   6.583 -14.009
  465   2HH1  ARG  58          HH12      ARG  58   4.220   6.072 -14.389
  466   1HH2  ARG  58          HH22      ARG  58   4.951   9.117 -12.713
  467   2HH2  ARG  58          HH21      ARG  58   5.959   7.834 -13.200
  468    H    LEU  59           HN       LEU  59   5.038   6.216  -6.311
  469    HA   LEU  59           HA       LEU  59   2.824   7.608  -5.014
  470   1HB   LEU  59          HB2       LEU  59   5.718   7.424  -4.579
  471   2HB   LEU  59          HB3       LEU  59   4.932   8.934  -4.056
  472    HG   LEU  59           HG       LEU  59   4.686   7.718  -2.145
  473   1HD1  LEU  59          HD21      LEU  59   2.463   6.715  -3.835
  474   2HD1  LEU  59          HD22      LEU  59   2.569   6.334  -2.103
  475   3HD1  LEU  59          HD23      LEU  59   2.439   8.052  -2.649
  476   1HD2  LEU  59          HD11      LEU  59   5.839   5.799  -2.246
  477   2HD2  LEU  59          HD12      LEU  59   4.208   5.050  -2.585
  478   3HD2  LEU  59          HD13      LEU  59   5.327   5.494  -3.903
  479    H    ASP  60           HN       ASP  60   5.119   8.072  -7.505
  480    HA   ASP  60           HA       ASP  60   5.711  10.507  -7.984
  481   1HB   ASP  60          HB3       ASP  60   6.052   8.772  -9.634
  482   2HB   ASP  60          HB2       ASP  60   4.379   8.799 -10.095
  483    H    LYS  61           HN       LYS  61   2.640   9.685  -9.537
  484    HA   LYS  61           HA       LYS  61   1.505  12.123  -8.493
  485   1HB   LYS  61          HB2       LYS  61   2.516  11.886 -11.202
  486   2HB   LYS  61          HB3       LYS  61   0.837  12.362 -11.105
  487   1HG   LYS  61          HG2       LYS  61   1.418  14.263  -9.674
  488   2HG   LYS  61          HG3       LYS  61   3.077  13.716  -9.625
  489   1HD   LYS  61          HD3       LYS  61   3.305  14.044 -12.018
  490   2HD   LYS  61          HD2       LYS  61   1.634  14.584 -12.146
  491   1HE   LYS  61          HE2       LYS  61   3.261  16.428 -12.083
  492   2HE   LYS  61          HE3       LYS  61   2.037  16.539 -10.812
  493   1HZ   LYS  61          HZ1       LYS  61   4.369  16.995 -10.091
  494   2HZ   LYS  61          HZ2       LYS  61   4.741  15.389 -10.419
  495   3HZ   LYS  61          HZ3       LYS  61   3.617  15.697  -9.197
  496    H    TYR  62           HN       TYR  62  -0.208  11.224  -7.530
  497    HA   TYR  62           HA       TYR  62  -2.351  10.439  -9.232
  498   1HB   TYR  62          HB3       TYR  62  -2.896   8.331  -8.214
  499   2HB   TYR  62          HB2       TYR  62  -1.178   8.271  -8.696
  500    HD1  TYR  62           HD1      TYR  62  -3.495   8.615  -5.793
  501    HD2  TYR  62           HD2      TYR  62   0.524   7.931  -7.107
  502    HE1  TYR  62           HE1      TYR  62  -2.896   7.997  -3.506
  503    HE2  TYR  62           HE2      TYR  62   1.115   7.323  -4.781
  504    HH   TYR  62           HH       TYR  62  -0.430   6.326  -2.627
  505    H    ASN  63           HN       ASN  63  -4.408  10.333  -7.978
  506    HA   ASN  63           HA       ASN  63  -4.296  12.347  -5.840
  507   1HB   ASN  63          HB2       ASN  63  -5.748  12.719  -7.911
  508   2HB   ASN  63          HB3       ASN  63  -6.703  11.364  -7.408
  509   1HD2  ASN  63          HD21      ASN  63  -5.375  13.410  -4.901
  510   2HD2  ASN  63          HD22      ASN  63  -6.904  14.210  -4.548
  511    H    ILE  64           HN       ILE  64  -4.629  11.743  -3.822
  512    HA   ILE  64           HA       ILE  64  -6.173   9.250  -3.364
  513    HB   ILE  64           HB       ILE  64  -3.675   8.954  -2.993
  514   1HG1  ILE  64          HG12      ILE  64  -5.191   8.575  -0.421
  515   2HG1  ILE  64          HG13      ILE  64  -5.528   7.621  -1.847
  516   1HG2  ILE  64          HG21      ILE  64  -2.607  10.527  -1.986
  517   2HG2  ILE  64          HG22      ILE  64  -4.064  11.276  -1.344
  518   3HG2  ILE  64          HG23      ILE  64  -3.287   9.967  -0.464
  519   1HD1  ILE  64          HD11      ILE  64  -3.849   6.976   0.080
  520   2HD1  ILE  64          HD12      ILE  64  -3.771   6.386  -1.623
  521   3HD1  ILE  64          HD13      ILE  64  -2.714   7.754  -1.090
  522    H    ARG  65           HN       ARG  65  -7.739   9.329  -1.936
  523    HA   ARG  65           HA       ARG  65  -7.840  11.599  -0.041
  524   1HB   ARG  65          HB2       ARG  65 -10.191  10.712  -1.663
  525   2HB   ARG  65          HB3       ARG  65 -10.119  12.084  -0.601
  526   1HG   ARG  65          HG3       ARG  65  -8.515  13.148  -2.097
  527   2HG   ARG  65          HG2       ARG  65  -8.634  11.805  -3.200
  528   1HD   ARG  65          HD3       ARG  65 -11.045  13.298  -2.377
  529   2HD   ARG  65          HD2       ARG  65 -10.026  13.910  -3.624
  530    HE   ARG  65           HE       ARG  65 -10.579  11.262  -4.245
  531   1HH1  ARG  65          HH12      ARG  65 -13.110  13.718  -3.595
  532   2HH1  ARG  65          HH11      ARG  65 -12.708  14.355  -5.151
  533   1HH2  ARG  65          HH21      ARG  65 -13.110  10.845  -5.445
  534   2HH2  ARG  65          HH22      ARG  65 -12.236  11.765  -6.688
  535    H    GLN  66           HN       GLN  66  -9.906  11.173   1.404
  536    HA   GLN  66           HA       GLN  66 -10.237   8.341   1.937
  537   1HB   GLN  66          HB2       GLN  66  -9.724   8.657   4.363
  538   2HB   GLN  66          HB3       GLN  66  -8.331   8.878   3.332
  539   1HG   GLN  66          HG3       GLN  66  -8.236  11.142   3.678
  540   2HG   GLN  66          HG2       GLN  66  -9.909  11.229   4.156
  541   1HE2  GLN  66          HE21      GLN  66 -10.198  11.605   6.199
  542   2HE2  GLN  66          HE22      GLN  66  -9.025  11.438   7.400
  543    H    HIS  67           HN       HIS  67 -12.242   7.861   2.887
  544    HA   HIS  67           HA       HIS  67 -13.897  10.196   3.639
  545   1HB   HIS  67          HB3       HIS  67 -14.671   7.752   2.032
  546   2HB   HIS  67          HB2       HIS  67 -15.803   8.993   2.620
  547    HD1  HIS  67           HD1      HIS  67 -15.073  11.550   1.687
  548    HD2  HIS  67           HD2      HIS  67 -13.970   8.165  -0.488
  549    HE1  HIS  67           HE1      HIS  67 -14.589  12.395  -0.660
  550    HE2  HIS  67           HE2      HIS  67 -14.158  10.263  -2.023
  551    H    THR  68           HN       THR  68 -14.302  10.049   5.732
  552    HA   THR  68           HA       THR  68 -14.382   7.394   7.004
  553    HB   THR  68           HB       THR  68 -14.764   9.944   8.571
  554    HG1  THR  68           HG1      THR  68 -12.163   9.451   8.384
  555   1HG2  THR  68          HG21      THR  68 -14.386   7.353   9.337
  556   2HG2  THR  68          HG22      THR  68 -14.043   8.793  10.320
  557   3HG2  THR  68          HG23      THR  68 -12.720   7.981   9.388
  558    H    THR  69           HN       THR  69 -16.211   9.547   8.802
  559    HA   THR  69           HA       THR  69 -18.402   9.901   9.128
  560    HB   THR  69           HB       THR  69 -19.023   8.688   6.416
  561    HG1  THR  69           HG1      THR  69 -18.315  10.463   5.458
  562   1HG2  THR  69          HG21      THR  69 -20.407  11.023   7.793
  563   2HG2  THR  69          HG22      THR  69 -20.890   9.278   8.049
  564   3HG2  THR  69          HG23      THR  69 -20.934  10.031   6.365
  565    H    ASP  70           HN       ASP  70 -17.892   6.853   7.439
  566    HA   ASP  70           HA       ASP  70 -19.405   5.491   9.589
  567   1HB   ASP  70          HB3       ASP  70 -20.618   5.402   7.426
  568   2HB   ASP  70          HB2       ASP  70 -19.211   4.582   6.698
  569    H    GLU  71           HN       GLU  71 -17.150   4.616   6.970
  570    HA   GLU  71           HA       GLU  71 -15.418   3.384   9.011
  571   1HB   GLU  71          HB3       GLU  71 -15.821   2.214   6.242
  572   2HB   GLU  71          HB2       GLU  71 -14.999   1.480   7.638
  573   1HG   GLU  71          HG3       GLU  71 -17.208   1.402   8.804
  574   2HG   GLU  71          HG2       GLU  71 -17.947   1.919   7.311
  575    H    ASP  72           HN       ASP  72 -13.128   3.634   8.582
  576    HA   ASP  72           HA       ASP  72 -12.380   5.882   7.034
  577   1HB   ASP  72          HB2       ASP  72 -10.541   3.667   8.053
  578   2HB   ASP  72          HB3       ASP  72 -10.088   5.325   7.694
  579    H    THR  73           HN       THR  73 -12.834   5.655   4.883
  580    HA   THR  73           HA       THR  73 -11.769   3.324   3.476
  581    HB   THR  73           HB       THR  73 -13.690   5.422   2.468
  582    HG1  THR  73           HG1      THR  73 -14.315   4.082   4.392
  583   1HG2  THR  73          HG21      THR  73 -13.930   2.701   1.491
  584   2HG2  THR  73          HG22      THR  73 -12.453   3.571   1.020
  585   3HG2  THR  73          HG23      THR  73 -14.059   4.279   0.637
  586    H    ILE  74           HN       ILE  74  -9.933   3.585   2.469
  587    HA   ILE  74           HA       ILE  74  -9.045   6.261   1.675
  588    HB   ILE  74           HB       ILE  74  -7.562   3.637   1.923
  589   1HG1  ILE  74          HG12      ILE  74  -7.821   4.955   3.989
  590   2HG1  ILE  74          HG13      ILE  74  -6.152   4.875   3.486
  591   1HG2  ILE  74          HG21      ILE  74  -5.532   4.892   1.182
  592   2HG2  ILE  74          HG22      ILE  74  -6.721   4.478  -0.044
  593   3HG2  ILE  74          HG23      ILE  74  -6.626   6.128   0.606
  594   1HD1  ILE  74          HD11      ILE  74  -7.935   7.203   2.817
  595   2HD1  ILE  74          HD12      ILE  74  -6.953   7.121   4.270
  596   3HD1  ILE  74          HD13      ILE  74  -6.188   7.077   2.724
  597    H    VAL  75           HN       VAL  75  -9.297   6.857  -0.382
  598    HA   VAL  75           HA       VAL  75  -9.611   4.770  -2.415
  599    HB   VAL  75           HB       VAL  75 -10.980   6.380  -3.663
  600   1HG1  VAL  75          HG11      VAL  75 -12.007   4.645  -2.171
  601   2HG1  VAL  75          HG12      VAL  75 -12.053   5.843  -0.837
  602   3HG1  VAL  75          HG13      VAL  75 -12.977   6.106  -2.324
  603   1HG2  VAL  75          HG21      VAL  75 -10.477   8.038  -1.203
  604   2HG2  VAL  75          HG22      VAL  75 -10.365   8.530  -2.937
  605   3HG2  VAL  75          HG23      VAL  75 -11.967   8.274  -2.158
  606    H    LEU  76           HN       LEU  76  -8.633   5.017  -4.396
  607    HA   LEU  76           HA       LEU  76  -6.749   7.269  -4.557
  608   1HB   LEU  76          HB2       LEU  76  -6.328   4.400  -5.472
  609   2HB   LEU  76          HB3       LEU  76  -5.180   5.740  -5.741
  610    HG   LEU  76           HG       LEU  76  -5.215   5.949  -3.098
  611   1HD1  LEU  76          HD11      LEU  76  -5.824   2.989  -3.324
  612   2HD1  LEU  76          HD12      LEU  76  -5.736   4.029  -1.891
  613   3HD1  LEU  76          HD13      LEU  76  -7.097   4.175  -3.005
  614   1HD2  LEU  76          HD21      LEU  76  -3.146   5.062  -3.301
  615   2HD2  LEU  76          HD22      LEU  76  -3.763   3.456  -3.770
  616   3HD2  LEU  76          HD23      LEU  76  -3.577   4.709  -4.996
  617    H    GLN  77           HN       GLN  77  -7.293   8.545  -6.158
  618    HA   GLN  77           HA       GLN  77  -8.587   7.449  -8.562
  619   1HB   GLN  77          HB2       GLN  77  -8.578  10.195  -7.373
  620   2HB   GLN  77          HB3       GLN  77  -9.127   9.868  -9.007
  621   1HG   GLN  77          HG3       GLN  77 -11.072   9.917  -7.672
  622   2HG   GLN  77          HG2       GLN  77 -10.746   8.218  -8.008
  623   1HE2  GLN  77          HE21      GLN  77 -11.251   7.017  -6.441
  624   2HE2  GLN  77          HE22      GLN  77 -11.126   7.383  -4.771
  625    HA   PRO  78           HA       PRO  78  -4.347   8.187 -10.082
  626   1HB   PRO  78          HB3       PRO  78  -5.384   6.612 -12.304
  627   2HB   PRO  78          HB2       PRO  78  -3.956   6.365 -11.404
  628   1HG   PRO  78          HG3       PRO  78  -6.050   4.762 -11.090
  629   2HG   PRO  78          HG2       PRO  78  -5.119   5.256  -9.684
  630   1HD   PRO  78          HD3       PRO  78  -7.711   6.307 -10.577
  631   2HD   PRO  78          HD2       PRO  78  -7.146   5.932  -8.935
  632    H    GLN  79           HN       GLN  79  -3.621   9.753 -11.360
  633    HA   GLN  79           HA       GLN  79  -5.606  11.030 -13.090
  634   1HB   GLN  79          HB2       GLN  79  -3.965  12.918 -13.210
  635   2HB   GLN  79          HB3       GLN  79  -4.559  12.579 -11.576
  636   1HG   GLN  79          HG3       GLN  79  -2.508  11.547 -10.954
  637   2HG   GLN  79          HG2       GLN  79  -1.965  11.504 -12.614
  638   1HE2  GLN  79          HE21      GLN  79  -0.551  12.975 -13.163
  639   2HE2  GLN  79          HE22      GLN  79  -0.557  14.590 -12.630
  640    H    GLU  80           HN       GLU  80  -3.883   8.598 -13.492
  641    HA   GLU  80           HA       GLU  80  -2.990   9.289 -16.185
  642   1HB   GLU  80          HB3       GLU  80  -1.596   7.227 -14.418
  643   2HB   GLU  80          HB2       GLU  80  -0.987   7.894 -15.932
  644   1HG   GLU  80          HG3       GLU  80  -1.274   9.449 -13.394
  645   2HG   GLU  80          HG2       GLU  80   0.193   8.655 -13.938
  646    HA   PRO  81           HA       PRO  81  -5.792   6.020 -17.223
  647   1HB   PRO  81          HB2       PRO  81  -4.602   5.159 -19.531
  648   2HB   PRO  81          HB3       PRO  81  -5.651   6.502 -19.432
  649   1HG   PRO  81          HG3       PRO  81  -2.667   6.396 -19.553
  650   2HG   PRO  81          HG2       PRO  81  -3.835   7.619 -20.259
  651   1HD   PRO  81          HD2       PRO  81  -2.340   8.077 -18.019
  652   2HD   PRO  81          HD3       PRO  81  -3.928   8.827 -18.297
  653    H    GLY  82           HN       GLY  82  -2.365   5.369 -17.163
  654   1HA   GLY  82          HA1       GLY  82  -2.776   2.493 -16.741
  655   2HA   GLY  82          HA2       GLY  82  -1.256   3.268 -17.109
  656    H    LEU  83           HN       LEU  83  -3.574   2.411 -14.728
  657    HA   LEU  83           HA       LEU  83  -1.846   2.208 -12.562
  658   1HB   LEU  83          HB3       LEU  83  -1.739   4.791 -12.999
  659   2HB   LEU  83          HB2       LEU  83  -3.355   4.816 -12.260
  660    HG   LEU  83           HG       LEU  83  -2.451   3.869 -10.221
  661   1HD1  LEU  83          HD11      LEU  83  -0.636   2.551 -11.098
  662   2HD1  LEU  83          HD12      LEU  83   0.247   4.017 -11.639
  663   3HD1  LEU  83          HD13      LEU  83   0.015   3.688  -9.908
  664   1HD2  LEU  83          HD21      LEU  83  -0.913   5.834  -9.701
  665   2HD2  LEU  83          HD22      LEU  83  -1.249   6.351 -11.321
  666   3HD2  LEU  83          HD23      LEU  83  -2.516   6.138 -10.145
  667    HA   PRO  84           HA       PRO  84  -5.822   0.500 -11.478
  668   1HB   PRO  84          HB2       PRO  84  -5.115  -0.545  -9.027
  669   2HB   PRO  84          HB3       PRO  84  -4.826  -1.338 -10.592
  670   1HG   PRO  84          HG3       PRO  84  -2.948   0.128  -8.806
  671   2HG   PRO  84          HG2       PRO  84  -2.634  -1.205  -9.907
  672   1HD   PRO  84          HD2       PRO  84  -1.991   1.455 -10.381
  673   2HD   PRO  84          HD3       PRO  84  -2.153   0.193 -11.653
  674    H    SER  85           HN       SER  85  -7.565   1.261 -10.617
  675    HA   SER  85           HA       SER  85  -7.321   3.324  -8.532
  676   1HB   SER  85          HB2       SER  85  -9.780   3.060 -10.232
  677   2HB   SER  85          HB3       SER  85  -9.027   4.512  -9.547
  678    HG   SER  85           HG       SER  85  -7.228   3.472 -11.180
  679    H    PHE  86           HN       PHE  86  -7.739   2.390  -6.625
  680    HA   PHE  86           HA       PHE  86 -10.258   0.870  -6.397
  681   1HB   PHE  86          HB2       PHE  86  -9.234  -0.880  -5.101
  682   2HB   PHE  86          HB3       PHE  86  -8.415  -0.766  -6.650
  683    HD1  PHE  86           HD1      PHE  86  -6.327   1.071  -6.452
  684    HD2  PHE  86           HD2      PHE  86  -7.888  -1.377  -3.368
  685    HE1  PHE  86           HE1      PHE  86  -4.209   1.296  -5.267
  686    HE2  PHE  86           HE2      PHE  86  -5.797  -1.186  -2.151
  687    HZ   PHE  86           HZ       PHE  86  -3.925   0.092  -3.077
  688    H    ARG  87           HN       ARG  87 -10.155   0.135  -3.840
  689    HA   ARG  87           HA       ARG  87  -9.640   2.499  -2.225
  690   1HB   ARG  87          HB3       ARG  87 -12.104   1.562  -1.267
  691   2HB   ARG  87          HB2       ARG  87 -11.743   3.115  -2.059
  692   1HG   ARG  87          HG2       ARG  87 -12.335   0.733  -3.753
  693   2HG   ARG  87          HG3       ARG  87 -13.656   1.596  -2.945
  694   1HD   ARG  87          HD2       ARG  87 -12.625   3.715  -3.992
  695   2HD   ARG  87          HD3       ARG  87 -11.733   2.587  -5.031
  696    HE   ARG  87           HE       ARG  87 -14.540   2.078  -5.016
  697   1HH1  ARG  87          HH12      ARG  87 -12.264   2.951  -7.693
  698   2HH1  ARG  87          HH11      ARG  87 -12.586   4.602  -7.261
  699   1HH2  ARG  87          HH21      ARG  87 -15.800   3.717  -6.920
  700   2HH2  ARG  87          HH22      ARG  87 -15.025   2.591  -8.069
  701    H    ILE  88           HN       ILE  88  -9.322   1.971  -0.015
  702    HA   ILE  88           HA       ILE  88  -9.267  -0.900   0.543
  703    HB   ILE  88           HB       ILE  88  -7.331  -0.233   2.174
  704   1HG1  ILE  88          HG12      ILE  88  -7.029   1.876   0.055
  705   2HG1  ILE  88          HG13      ILE  88  -7.490   2.195   1.721
  706   1HG2  ILE  88          HG21      ILE  88  -7.525  -1.529  -0.241
  707   2HG2  ILE  88          HG22      ILE  88  -6.250  -0.269  -0.538
  708   3HG2  ILE  88          HG23      ILE  88  -6.064  -1.426   0.789
  709   1HD1  ILE  88          HD11      ILE  88  -4.881   0.937   0.909
  710   2HD1  ILE  88          HD12      ILE  88  -5.110   2.660   1.298
  711   3HD1  ILE  88          HD13      ILE  88  -5.377   1.400   2.530
  712    H    LYS  89           HN       LYS  89 -10.407  -1.558   2.253
  713    HA   LYS  89           HA       LYS  89 -11.055   0.396   4.376
  714   1HB   LYS  89          HB2       LYS  89 -12.878  -1.820   3.249
  715   2HB   LYS  89          HB3       LYS  89 -13.265  -0.686   4.528
  716   1HG   LYS  89          HG3       LYS  89 -12.991   1.217   2.838
  717   2HG   LYS  89          HG2       LYS  89 -12.937  -0.104   1.586
  718   1HD   LYS  89          HD2       LYS  89 -15.208   0.863   1.840
  719   2HD   LYS  89          HD3       LYS  89 -15.209  -0.822   2.378
  720   1HE   LYS  89          HE2       LYS  89 -15.091  -0.083   4.686
  721   2HE   LYS  89          HE3       LYS  89 -14.934   1.607   4.183
  722   1HZ   LYS  89          HZ1       LYS  89 -17.118   1.802   3.615
  723   2HZ   LYS  89          HZ2       LYS  89 -17.249   0.637   4.862
  724   3HZ   LYS  89          HZ3       LYS  89 -17.284   0.134   3.273
  725    HA   PRO  90           HA       PRO  90  -9.350  -2.892   6.849
  726   1HB   PRO  90          HB2       PRO  90  -9.800  -1.786   9.265
  727   2HB   PRO  90          HB3       PRO  90  -8.563  -1.197   8.187
  728   1HG   PRO  90          HG3       PRO  90 -11.295  -0.134   8.726
  729   2HG   PRO  90          HG2       PRO  90  -9.757   0.745   8.454
  730   1HD   PRO  90          HD2       PRO  90 -11.713   0.409   6.533
  731   2HD   PRO  90          HD3       PRO  90  -9.992   0.730   6.175
  732    H    LYS  91           HN       LYS  91 -11.631  -3.729   5.820
  733    HA   LYS  91           HA       LYS  91 -13.650  -4.176   7.833
  734   1HB   LYS  91          HB2       LYS  91 -13.328  -5.036   4.927
  735   2HB   LYS  91          HB3       LYS  91 -14.545  -5.771   5.997
  736   1HG   LYS  91          HG3       LYS  91 -15.298  -3.434   6.500
  737   2HG   LYS  91          HG2       LYS  91 -14.286  -2.912   5.141
  738   1HD   LYS  91          HD2       LYS  91 -15.637  -4.187   3.587
  739   2HD   LYS  91          HD3       LYS  91 -16.357  -5.113   4.916
  740   1HE   LYS  91          HE2       LYS  91 -16.806  -2.177   4.286
  741   2HE   LYS  91          HE3       LYS  91 -17.989  -3.511   4.026
  742   1HZ   LYS  91          HZ1       LYS  91 -17.863  -1.972   6.250
  743   2HZ   LYS  91          HZ2       LYS  91 -16.976  -3.349   6.777
  744   3HZ   LYS  91          HZ3       LYS  91 -18.606  -3.476   6.204
  745    H    ASP  92           HN       ASP  92 -12.219  -5.126   9.255
  746    HA   ASP  92           HA       ASP  92 -12.156  -8.010   9.190
  747   1HB   ASP  92          HB3       ASP  92  -9.997  -7.170   8.162
  748   2HB   ASP  92          HB2       ASP  92  -9.632  -6.447   9.758
  749    H    PHE  93           HN       PHE  93 -10.338  -7.978  11.583
  750    HA   PHE  93           HA       PHE  93 -12.359  -7.282  13.536
  751   1HB   PHE  93          HB3       PHE  93 -10.786  -9.205  13.840
  752   2HB   PHE  93          HB2       PHE  93  -9.436  -8.085  13.949
  753    HD1  PHE  93           HD1      PHE  93 -12.840  -8.393  15.516
  754    HD2  PHE  93           HD2      PHE  93  -8.634  -7.820  16.090
  755    HE1  PHE  93           HE1      PHE  93 -13.186  -8.303  17.983
  756    HE2  PHE  93           HE2      PHE  93  -9.039  -7.684  18.531
  757    HZ   PHE  93           HZ       PHE  93 -11.285  -7.957  19.460
  758    H    GLU  94           HN       GLU  94 -12.689  -5.171  14.005
  759    HA   GLU  94           HA       GLU  94 -10.543  -3.247  13.678
  760   1HB   GLU  94          HB3       GLU  94 -13.035  -2.818  13.132
  761   2HB   GLU  94          HB2       GLU  94 -13.234  -2.621  14.923
  762   1HG   GLU  94          HG3       GLU  94 -11.506  -0.878  14.847
  763   2HG   GLU  94          HG2       GLU  94 -11.408  -1.045  13.068
  764    H    THR  95           HN       THR  95  -9.728  -1.931  15.269
  765    HA   THR  95           HA       THR  95  -8.786  -1.471  17.250
  766    HB   THR  95           HB       THR  95 -10.904  -2.975  18.696
  767    HG1  THR  95           HG1      THR  95 -11.976  -1.742  17.173
  768   1HG2  THR  95          HG21      THR  95  -9.050  -0.761  19.283
  769   2HG2  THR  95          HG22      THR  95  -9.641  -2.085  20.332
  770   3HG2  THR  95          HG23      THR  95 -10.659  -0.684  20.030
  771    H    SER  96           HN       SER  96  -7.300  -2.909  16.306
  772    HA   SER  96           HA       SER  96  -6.635  -5.105  18.081
  773   1HB   SER  96          HB3       SER  96  -8.034  -5.998  16.169
  774   2HB   SER  96          HB2       SER  96  -6.741  -5.457  15.067
  775    HG   SER  96           HG       SER  96  -6.752  -7.741  15.816
  776    H    GLU  97           HN       GLU  97  -5.213  -5.266  15.084
  777    HA   GLU  97           HA       GLU  97  -2.607  -4.797  15.770
  778   1HB   GLU  97          HB2       GLU  97  -3.695  -3.909  13.091
  779   2HB   GLU  97          HB3       GLU  97  -2.086  -4.532  13.451
  780   1HG   GLU  97          HG3       GLU  97  -3.013  -6.360  12.477
  781   2HG   GLU  97          HG2       GLU  97  -3.440  -6.657  14.167
  782    H    TYR  98           HN       TYR  98  -5.071  -2.529  14.893
  783    HA   TYR  98           HA       TYR  98  -5.340  -0.261  14.994
  784   1HB   TYR  98          HB3       TYR  98  -4.879   0.064  17.115
  785   2HB   TYR  98          HB2       TYR  98  -3.524  -1.032  17.107
  786    HD1  TYR  98           HD1      TYR  98  -4.524   2.430  16.236
  787    HD2  TYR  98           HD2      TYR  98  -1.362  -0.231  17.189
  788    HE1  TYR  98           HE1      TYR  98  -2.967   4.357  16.392
  789    HE2  TYR  98           HE2      TYR  98   0.225   1.666  17.277
  790    HH   TYR  98           HH       TYR  98  -0.084   4.274  17.817
  791    H    VAL  99           HN       VAL  99  -2.422  -1.658  13.965
  792    HA   VAL  99           HA       VAL  99  -1.232   0.739  12.855
  793    HB   VAL  99           HB       VAL  99   0.270  -1.033  13.644
  794   1HG1  VAL  99          HG11      VAL  99  -0.233  -2.862  11.438
  795   2HG1  VAL  99          HG12      VAL  99   0.105  -3.173  13.125
  796   3HG1  VAL  99          HG13      VAL  99  -1.545  -2.807  12.640
  797   1HG2  VAL  99          HG21      VAL  99   0.244   0.158  11.015
  798   2HG2  VAL  99          HG22      VAL  99   1.592  -0.167  12.107
  799   3HG2  VAL  99          HG23      VAL  99   1.034  -1.385  10.970
  800    H    ARG 100           HN       ARG 100  -3.229  -1.942  11.993
  801    HA   ARG 100           HA       ARG 100  -3.185  -1.760   9.180
  802   1HB   ARG 100          HB2       ARG 100  -4.303  -3.599  10.496
  803   2HB   ARG 100          HB3       ARG 100  -5.574  -2.438  10.916
  804   1HG   ARG 100          HG2       ARG 100  -6.139  -2.221   8.501
  805   2HG   ARG 100          HG3       ARG 100  -4.790  -3.351   8.120
  806   1HD   ARG 100          HD3       ARG 100  -6.869  -4.578   8.193
  807   2HD   ARG 100          HD2       ARG 100  -5.932  -4.991   9.611
  808    HE   ARG 100           HE       ARG 100  -7.925  -2.882   9.886
  809   1HH1  ARG 100          HH11      ARG 100  -6.947  -5.621  11.838
  810   2HH1  ARG 100          HH12      ARG 100  -8.056  -6.677  10.925
  811   1HH2  ARG 100          HH22      ARG 100 -10.157  -3.809  10.837
  812   2HH2  ARG 100          HH21      ARG 100  -9.459  -4.363  12.344
  813    H    LYS 101           HN       LYS 101  -5.367  -0.153  11.524
  814    HA   LYS 101           HA       LYS 101  -6.590   1.480   9.478
  815   1HB   LYS 101          HB3       LYS 101  -6.859   1.334  12.472
  816   2HB   LYS 101          HB2       LYS 101  -7.449   2.691  11.585
  817   1HG   LYS 101          HG2       LYS 101  -8.806   1.183  10.207
  818   2HG   LYS 101          HG3       LYS 101  -8.267  -0.189  11.220
  819   1HD   LYS 101          HD3       LYS 101 -10.427   0.593  11.931
  820   2HD   LYS 101          HD2       LYS 101  -9.207   0.933  13.229
  821   1HE   LYS 101          HE2       LYS 101  -9.129   3.282  12.658
  822   2HE   LYS 101          HE3       LYS 101 -10.013   2.981  11.159
  823   1HZ   LYS 101          HZ1       LYS 101 -11.726   3.700  12.313
  824   2HZ   LYS 101          HZ2       LYS 101 -11.043   3.343  13.831
  825   3HZ   LYS 101          HZ3       LYS 101 -11.771   2.140  12.889
  826    H    ALA 102           HN       ALA 102  -3.886   1.735  11.657
  827    HA   ALA 102           HA       ALA 102  -3.541   4.431  11.885
  828   1HB   ALA 102          HB1       ALA 102  -1.636   3.844  12.856
  829   2HB   ALA 102          HB2       ALA 102  -2.002   2.193  12.436
  830   3HB   ALA 102          HB3       ALA 102  -0.957   3.161  11.413
  831    H    TRP 103           HN       TRP 103  -2.649   2.273   9.245
  832    HA   TRP 103           HA       TRP 103  -1.138   3.830   7.633
  833   1HB   TRP 103          HB3       TRP 103  -3.113   1.672   6.992
  834   2HB   TRP 103          HB2       TRP 103  -2.347   2.619   5.713
  835    HD1  TRP 103           HD1      TRP 103  -1.131   0.671   8.822
  836    HE1  TRP 103           HE1      TRP 103   1.059  -0.522   8.204
  837    HE3  TRP 103           HE3      TRP 103  -0.647   2.411   4.113
  838    HZ2  TRP 103           HZ2      TRP 103   2.801  -0.575   5.993
  839    HZ3  TRP 103           HZ3      TRP 103   1.343   1.752   2.808
  840    HH2  TRP 103           HH2      TRP 103   2.998   0.255   3.715
  841    H    LEU 104           HN       LEU 104  -4.378   4.596   8.417
  842    HA   LEU 104           HA       LEU 104  -5.117   6.122   6.107
  843   1HB   LEU 104          HB2       LEU 104  -5.869   6.122   9.020
  844   2HB   LEU 104          HB3       LEU 104  -6.365   7.501   8.041
  845    HG   LEU 104           HG       LEU 104  -8.049   5.668   8.433
  846   1HD1  LEU 104          HD21      LEU 104  -7.441   6.305   5.554
  847   2HD1  LEU 104          HD22      LEU 104  -9.026   5.954   6.268
  848   3HD1  LEU 104          HD23      LEU 104  -8.184   7.435   6.681
  849   1HD2  LEU 104          HD11      LEU 104  -7.842   3.588   7.564
  850   2HD2  LEU 104          HD12      LEU 104  -6.967   4.152   6.144
  851   3HD2  LEU 104          HD13      LEU 104  -6.115   3.934   7.683
  852    H    ARG 105           HN       ARG 105  -3.483   6.711   9.137
  853    HA   ARG 105           HA       ARG 105  -2.829   9.483   8.735
  854   1HB   ARG 105          HB3       ARG 105  -2.765   8.664  10.963
  855   2HB   ARG 105          HB2       ARG 105  -1.636   7.360  10.485
  856   1HG   ARG 105          HG3       ARG 105   0.193   8.777  10.386
  857   2HG   ARG 105          HG2       ARG 105  -0.808  10.209  10.204
  858   1HD   ARG 105          HD2       ARG 105  -0.761   8.572  12.704
  859   2HD   ARG 105          HD3       ARG 105   0.346   9.914  12.477
  860    HE   ARG 105           HE       ARG 105  -2.407  10.091  13.172
  861   1HH1  ARG 105          HH11      ARG 105   0.004  12.394  11.416
  862   2HH1  ARG 105          HH12      ARG 105  -0.031  12.776  13.151
  863   1HH2  ARG 105          HH21      ARG 105  -3.604  12.205  12.316
  864   2HH2  ARG 105          HH22      ARG 105  -2.694  13.127  13.499
  865    H    ASP 106           HN       ASP 106  -0.948   6.513   8.194
  866    HA   ASP 106           HA       ASP 106   1.362   7.818   7.282
  867   1HB   ASP 106          HB2       ASP 106   0.284   5.043   6.972
  868   2HB   ASP 106          HB3       ASP 106   1.766   5.484   6.147
  869    H    ILE 107           HN       ILE 107  -1.630   7.256   5.742
  870    HA   ILE 107           HA       ILE 107  -0.527   7.621   3.056
  871    HB   ILE 107           HB       ILE 107  -3.153   6.817   4.225
  872   1HG1  ILE 107          HG12      ILE 107  -3.209   5.299   2.358
  873   2HG1  ILE 107          HG13      ILE 107  -1.908   6.191   1.545
  874   1HG2  ILE 107          HG21      ILE 107  -3.629   8.985   3.046
  875   2HG2  ILE 107          HG22      ILE 107  -3.168   8.144   1.536
  876   3HG2  ILE 107          HG23      ILE 107  -4.550   7.580   2.535
  877   1HD1  ILE 107          HD11      ILE 107  -1.393   3.946   2.814
  878   2HD1  ILE 107          HD12      ILE 107  -0.270   5.308   2.921
  879   3HD1  ILE 107          HD13      ILE 107  -1.404   5.003   4.216
  880    H    ALA 108           HN       ALA 108  -2.218   9.349   5.591
  881    HA   ALA 108           HA       ALA 108  -2.849  11.675   4.064
  882   1HB   ALA 108          HB1       ALA 108  -2.473  11.616   7.047
  883   2HB   ALA 108          HB2       ALA 108  -3.496  12.708   6.072
  884   3HB   ALA 108          HB3       ALA 108  -3.916  10.978   6.286
  885    H    GLU 109           HN       GLU 109  -0.029  10.408   5.457
  886    HA   GLU 109           HA       GLU 109   1.623  12.591   4.532
  887   1HB   GLU 109          HB2       GLU 109   2.696  12.682   6.928
  888   2HB   GLU 109          HB3       GLU 109   1.324  13.705   6.534
  889   1HG   GLU 109          HG3       GLU 109  -0.169  11.952   7.541
  890   2HG   GLU 109          HG2       GLU 109   1.303  11.193   8.156
  891    H    GLU 110           HN       GLU 110   2.370  10.886   3.287
  892    HA   GLU 110           HA       GLU 110   3.419   8.477   4.345
  893   1HB   GLU 110          HB3       GLU 110   4.428   9.718   1.809
  894   2HB   GLU 110          HB2       GLU 110   4.290   8.042   2.193
  895   1HG   GLU 110          HG2       GLU 110   2.504   8.218   0.818
  896   2HG   GLU 110          HG3       GLU 110   1.753   8.665   2.326
  897    H    GLN 111           HN       GLN 111   5.744   7.825   4.449
  898    HA   GLN 111           HA       GLN 111   7.247   9.730   5.815
  899   1HB   GLN 111          HB2       GLN 111   7.867   6.983   4.888
  900   2HB   GLN 111          HB3       GLN 111   9.106   7.976   5.663
  901   1HG   GLN 111          HG3       GLN 111   7.802   8.233   7.649
  902   2HG   GLN 111          HG2       GLN 111   6.447   7.399   6.877
  903   1HE2  GLN 111          HE21      GLN 111   6.169   5.573   7.909
  904   2HE2  GLN 111          HE22      GLN 111   7.390   4.486   8.334
  905    H    GLU 112           HN       GLU 112   6.687   9.518   2.632
  906    HA   GLU 112           HA       GLU 112   9.201  10.155   1.460
  907   1HB   GLU 112          HB2       GLU 112   6.373  10.740   0.621
  908   2HB   GLU 112          HB3       GLU 112   7.759  11.184  -0.364
  909   1HG   GLU 112          HG2       GLU 112   7.292   8.372   0.493
  910   2HG   GLU 112          HG3       GLU 112   6.553   9.020  -0.928
  911    H    LYS 113           HN       LYS 113   6.694  11.808   3.175
  912    HA   LYS 113           HA       LYS 113   7.729  14.456   2.737
  913   1HB   LYS 113          HB3       LYS 113   5.535  13.312   4.438
  914   2HB   LYS 113          HB2       LYS 113   5.986  15.009   4.570
  915   1HG   LYS 113          HG2       LYS 113   4.061  14.744   3.148
  916   2HG   LYS 113          HG3       LYS 113   5.453  15.372   2.242
  917   1HD   LYS 113          HD2       LYS 113   5.818  13.139   1.363
  918   2HD   LYS 113          HD3       LYS 113   4.465  12.484   2.316
  919   1HE   LYS 113          HE3       LYS 113   4.231  14.671   0.243
  920   2HE   LYS 113          HE2       LYS 113   3.983  12.959  -0.105
  921   1HZ   LYS 113          HZ1       LYS 113   2.211  12.957   1.614
  922   2HZ   LYS 113          HZ2       LYS 113   1.893  14.023   0.286
  923   3HZ   LYS 113          HZ3       LYS 113   2.452  14.647   1.798
  924    H    TYR 114           HN       TYR 114   7.637  12.094   5.332
  925    HA   TYR 114           HA       TYR 114   8.634  13.546   7.412
  926   1HB   TYR 114          HB3       TYR 114   7.728  11.219   7.498
  927   2HB   TYR 114          HB2       TYR 114   9.242  10.657   6.810
  928    HD1  TYR 114           HD1      TYR 114  11.349  10.884   8.149
  929    HD2  TYR 114           HD2      TYR 114   7.531  11.653   9.798
  930    HE1  TYR 114           HE1      TYR 114  12.285  10.654  10.410
  931    HE2  TYR 114           HE2      TYR 114   8.396  11.394  12.075
  932    HH   TYR 114           HH       TYR 114  10.538  10.118  13.087
  933    H    ALA 115           HN       ALA 115  10.567  11.324   5.372
  934    HA   ALA 115           HA       ALA 115  13.021  12.702   6.088
  935   1HB   ALA 115          HB1       ALA 115  12.783  10.161   5.948
  936   2HB   ALA 115          HB2       ALA 115  12.775  10.408   4.207
  937   3HB   ALA 115          HB3       ALA 115  14.154  10.879   5.153
  938    H    ALA 116           HN       ALA 116  14.414  13.680   4.481
  939    HA   ALA 116           HA       ALA 116  12.993  15.189   2.529
  940   1HB   ALA 116          HB1       ALA 116  15.924  14.728   3.119
  941   2HB   ALA 116          HB2       ALA 116  15.451  15.608   1.658
  942   3HB   ALA 116          HB3       ALA 116  14.962  16.234   3.261
  943    H    GLU 117           HN       GLU 117  13.836  15.198   0.170
  944    HA   GLU 117           HA       GLU 117  13.215  12.671  -0.924
  945   1HB   GLU 117          HB3       GLU 117  12.507  14.802  -1.922
  946   2HB   GLU 117          HB2       GLU 117  14.195  15.147  -2.305
  947   1HG   GLU 117          HG3       GLU 117  14.220  13.395  -3.903
  948   2HG   GLU 117          HG2       GLU 117  12.699  12.708  -3.295
  949    H    ARG 118           HN       ARG 118  14.970  11.577   0.175
  950    HA   ARG 118           HA       ARG 118  17.059  10.905  -1.618
  951   1HB   ARG 118          HB2       ARG 118  17.982  12.953  -0.489
  952   2HB   ARG 118          HB3       ARG 118  17.846  12.189   1.020
  953   1HG   ARG 118          HG3       ARG 118  19.403  10.457   0.320
  954   2HG   ARG 118          HG2       ARG 118  19.608  11.297  -1.226
  955   1HD   ARG 118          HD2       ARG 118  21.214  12.448  -0.249
  956   2HD   ARG 118          HD3       ARG 118  19.975  13.236   0.751
  957    HE   ARG 118           HE       ARG 118  21.962  11.373   1.555
  958   1HH1  ARG 118          HH11      ARG 118  18.872  12.867   2.797
  959   2HH1  ARG 118          HH12      ARG 118  18.477  11.344   3.493
  960   1HH2  ARG 118          HH22      ARG 118  21.720  11.502   4.344
  961   2HH2  ARG 118          HH21      ARG 118  20.624  10.183   4.254
  962    H    ASP 119           HN       ASP 119  17.023  10.790   1.896
  963    HA   ASP 119           HA       ASP 119  15.731   8.354   2.174
  964   1HB   ASP 119          HB3       ASP 119  17.874   7.510   1.232
  965   2HB   ASP 119          HB2       ASP 119  18.735   8.288   2.514
  Start of MODEL   24
    1   1H    MET   1          HT1       MET   1   2.419  -6.939  19.772
    2   2H    MET   1          HT2       MET   1   3.446  -5.830  18.951
    3   3H    MET   1          HT3       MET   1   2.669  -7.086  18.082
    4    HA   MET   1           HA       MET   1   0.533  -6.103  18.778
    5   1HB   MET   1          HB2       MET   1   1.542  -4.772  20.634
    6   2HB   MET   1          HB3       MET   1   2.346  -3.774  19.438
    7   1HG   MET   1          HG3       MET   1   0.173  -3.104  18.546
    8   2HG   MET   1          HG2       MET   1  -0.620  -4.078  19.784
    9   1HE   MET   1          HE1       MET   1  -1.188  -0.275  20.763
   10   2HE   MET   1          HE2       MET   1  -1.408  -1.255  19.315
   11   3HE   MET   1          HE3       MET   1  -2.020  -1.826  20.868
   12    H    GLY   2           HN       GLY   2  -0.182  -6.034  16.748
   13   1HA   GLY   2          HA2       GLY   2  -0.500  -5.057  14.647
   14   2HA   GLY   2          HA1       GLY   2   0.858  -3.989  14.972
   15    H    ASP   3           HN       ASP   3   2.661  -4.375  13.842
   16    HA   ASP   3           HA       ASP   3   2.903  -6.803  12.280
   17   1HB   ASP   3          HB2       ASP   3   3.583  -4.309  11.667
   18   2HB   ASP   3          HB3       ASP   3   5.111  -4.789  12.413
   19    H    THR   4           HN       THR   4   5.718  -7.140  12.256
   20    HA   THR   4           HA       THR   4   6.536  -7.674  14.990
   21    HB   THR   4           HB       THR   4   6.004  -9.904  13.015
   22    HG1  THR   4           HG1      THR   4   4.354  -8.812  14.617
   23   1HG2  THR   4          HG21      THR   4   6.485 -10.967  15.549
   24   2HG2  THR   4          HG22      THR   4   7.814  -9.856  15.222
   25   3HG2  THR   4          HG23      THR   4   7.454 -11.160  14.089
   26    H    GLY   5           HN       GLY   5   8.441  -6.629  14.819
   27   1HA   GLY   5          HA2       GLY   5  10.744  -6.656  14.447
   28   2HA   GLY   5          HA1       GLY   5  10.507  -7.902  13.234
   29    H    LYS   6           HN       LYS   6  12.215  -5.670  13.084
   30    HA   LYS   6           HA       LYS   6  11.036  -3.855  11.136
   31   1HB   LYS   6          HB2       LYS   6  12.607  -3.051  12.907
   32   2HB   LYS   6          HB3       LYS   6  13.860  -4.065  12.219
   33   1HG   LYS   6          HG2       LYS   6  13.843  -2.759  10.191
   34   2HG   LYS   6          HG3       LYS   6  12.522  -1.766  10.815
   35   1HD   LYS   6          HD3       LYS   6  13.977  -1.053  12.680
   36   2HD   LYS   6          HD2       LYS   6  15.303  -2.011  12.001
   37   1HE   LYS   6          HE2       LYS   6  13.944   0.368  10.745
   38   2HE   LYS   6          HE3       LYS   6  15.589   0.305  11.375
   39   1HZ   LYS   6          HZ1       LYS   6  15.803  -1.607   9.624
   40   2HZ   LYS   6          HZ2       LYS   6  15.951   0.020   9.150
   41   3HZ   LYS   6          HZ3       LYS   6  14.494  -0.804   8.887
   42    H    LEU   7           HN       LEU   7  10.575  -5.492   9.577
   43    HA   LEU   7           HA       LEU   7  12.817  -6.921   8.385
   44   1HB   LEU   7          HB2       LEU   7  10.553  -7.970   8.898
   45   2HB   LEU   7          HB3       LEU   7   9.923  -7.043   7.554
   46    HG   LEU   7           HG       LEU   7  11.449  -8.214   6.024
   47   1HD1  LEU   7          HD11      LEU   7  12.423 -10.405   7.151
   48   2HD1  LEU   7          HD12      LEU   7  13.327  -8.894   7.131
   49   3HD1  LEU   7          HD13      LEU   7  12.445  -9.372   8.575
   50   1HD2  LEU   7          HD21      LEU   7  10.304 -10.592   6.985
   51   2HD2  LEU   7          HD22      LEU   7   9.215  -9.277   7.449
   52   3HD2  LEU   7          HD23      LEU   7   9.666  -9.500   5.762
   53    H    GLY   8           HN       GLY   8  13.166  -4.253   7.965
   54   1HA   GLY   8          HA1       GLY   8  13.687  -2.752   6.302
   55   2HA   GLY   8          HA2       GLY   8  13.386  -4.038   5.149
   56    H    ARG   9           HN       ARG   9  10.879  -3.202   7.345
   57    HA   ARG   9           HA       ARG   9   9.234  -2.321   5.131
   58   1HB   ARG   9          HB3       ARG   9   8.379  -2.379   8.017
   59   2HB   ARG   9          HB2       ARG   9   7.388  -2.548   6.580
   60   1HG   ARG   9          HG2       ARG   9   8.408  -4.745   6.164
   61   2HG   ARG   9          HG3       ARG   9   9.325  -4.573   7.653
   62   1HD   ARG   9          HD3       ARG   9   6.351  -4.294   7.680
   63   2HD   ARG   9          HD2       ARG   9   7.087  -5.894   7.680
   64    HE   ARG   9           HE       ARG   9   7.676  -5.592   9.872
   65   1HH1  ARG   9          HH12      ARG   9   5.654  -2.680   9.438
   66   2HH1  ARG   9          HH11      ARG   9   7.087  -1.689   9.568
   67   1HH2  ARG   9          HH21      ARG   9   8.348  -4.208  11.748
   68   2HH2  ARG   9          HH22      ARG   9   7.185  -2.935  12.004
   69    H    ILE  10           HN       ILE  10  10.684  -0.409   4.866
   70    HA   ILE  10           HA       ILE  10  11.158   1.625   6.573
   71    HB   ILE  10           HB       ILE  10  12.095   1.810   4.442
   72   1HG1  ILE  10          HG13      ILE  10   9.971   3.957   4.368
   73   2HG1  ILE  10          HG12      ILE  10  11.344   3.988   5.479
   74   1HG2  ILE  10          HG21      ILE  10   9.575   0.909   3.515
   75   2HG2  ILE  10          HG22      ILE  10   9.997   2.382   2.644
   76   3HG2  ILE  10          HG23      ILE  10  11.104   1.012   2.650
   77   1HD1  ILE  10          HD11      ILE  10  12.689   3.682   3.216
   78   2HD1  ILE  10          HD12      ILE  10  11.251   4.464   2.562
   79   3HD1  ILE  10          HD13      ILE  10  12.190   5.267   3.823
   80    H    ILE  11           HN       ILE  11   8.093   1.223   4.776
   81    HA   ILE  11           HA       ILE  11   6.982   3.401   6.386
   82    HB   ILE  11           HB       ILE  11   5.717   1.983   4.031
   83   1HG1  ILE  11          HG13      ILE  11   7.085   4.674   4.255
   84   2HG1  ILE  11          HG12      ILE  11   7.693   3.267   3.382
   85   1HG2  ILE  11          HG21      ILE  11   4.873   4.420   5.610
   86   2HG2  ILE  11          HG22      ILE  11   4.152   3.922   4.065
   87   3HG2  ILE  11          HG23      ILE  11   4.020   2.882   5.491
   88   1HD1  ILE  11          HD11      ILE  11   5.216   3.667   2.288
   89   2HD1  ILE  11          HD12      ILE  11   5.816   5.303   2.572
   90   3HD1  ILE  11          HD13      ILE  11   6.754   4.170   1.602
   91    H    ARG  12           HN       ARG  12   4.971   0.829   5.151
   92    HA   ARG  12           HA       ARG  12   4.851  -0.506   7.735
   93   1HB   ARG  12          HB3       ARG  12   2.723   1.300   6.737
   94   2HB   ARG  12          HB2       ARG  12   2.193  -0.242   7.376
   95   1HG   ARG  12          HG3       ARG  12   2.033   1.102   9.212
   96   2HG   ARG  12          HG2       ARG  12   3.639   0.390   9.427
   97   1HD   ARG  12          HD2       ARG  12   4.553   2.441   8.265
   98   2HD   ARG  12          HD3       ARG  12   2.938   3.142   8.444
   99    HE   ARG  12           HE       ARG  12   3.733   2.209  10.939
  100   1HH1  ARG  12          HH11      ARG  12   5.485   4.973   9.039
  101   2HH1  ARG  12          HH12      ARG  12   4.073   5.763   9.701
  102   1HH2  ARG  12          HH21      ARG  12   3.985   4.396  12.435
  103   2HH2  ARG  12          HH22      ARG  12   5.699   4.324  12.167
  104    H    HIS  13           HN       HIS  13   3.299  -2.301   7.709
  105    HA   HIS  13           HA       HIS  13   2.753  -3.396   5.037
  106   1HB   HIS  13          HB3       HIS  13   4.658  -4.650   5.754
  107   2HB   HIS  13          HB2       HIS  13   4.043  -4.783   7.398
  108    HD1  HIS  13           HD1      HIS  13   4.723  -7.368   6.765
  109    HD2  HIS  13           HD2      HIS  13   1.255  -5.844   5.063
  110    HE1  HIS  13           HE1      HIS  13   3.421  -9.365   5.986
  111    HE2  HIS  13           HE2      HIS  13   1.174  -8.420   5.336
  112    H    ASP  14           HN       ASP  14   0.573  -3.351   4.941
  113    HA   ASP  14           HA       ASP  14  -0.893  -4.312   7.302
  114   1HB   ASP  14          HB3       ASP  14  -1.033  -1.776   6.703
  115   2HB   ASP  14          HB2       ASP  14  -2.108  -2.302   5.427
  116    H    ALA  15           HN       ALA  15  -3.311  -4.860   6.417
  117    HA   ALA  15           HA       ALA  15  -3.076  -6.281   3.843
  118   1HB   ALA  15          HB1       ALA  15  -3.856  -7.583   6.452
  119   2HB   ALA  15          HB2       ALA  15  -4.008  -8.337   4.860
  120   3HB   ALA  15          HB3       ALA  15  -2.415  -7.920   5.496
  121    H    PHE  16           HN       PHE  16  -5.119  -6.883   2.919
  122    HA   PHE  16           HA       PHE  16  -7.538  -6.049   4.212
  123   1HB   PHE  16          HB3       PHE  16  -8.180  -4.304   2.766
  124   2HB   PHE  16          HB2       PHE  16  -6.524  -3.940   3.258
  125    HD1  PHE  16           HD1      PHE  16  -4.685  -4.380   1.744
  126    HD2  PHE  16           HD2      PHE  16  -8.714  -4.796   0.603
  127    HE1  PHE  16           HE1      PHE  16  -3.994  -4.362  -0.633
  128    HE2  PHE  16           HE2      PHE  16  -8.084  -4.777  -1.787
  129    HZ   PHE  16           HZ       PHE  16  -5.705  -4.565  -2.403
  130    H    GLN  17           HN       GLN  17  -9.430  -6.248   2.631
  131    HA   GLN  17           HA       GLN  17  -9.025  -8.079   0.429
  132   1HB   GLN  17          HB3       GLN  17  -9.147  -9.606   2.354
  133   2HB   GLN  17          HB2       GLN  17 -10.661  -8.859   2.860
  134   1HG   GLN  17          HG2       GLN  17 -11.748  -9.667   0.848
  135   2HG   GLN  17          HG3       GLN  17 -10.239 -10.381   0.290
  136   1HE2  GLN  17          HE21      GLN  17 -10.343 -12.498   0.467
  137   2HE2  GLN  17          HE22      GLN  17 -11.046 -13.379   1.769
  138    H    VAL  18           HN       VAL  18  -9.736  -5.766  -0.161
  139    HA   VAL  18           HA       VAL  18 -12.666  -5.700  -0.340
  140    HB   VAL  18           HB       VAL  18 -12.585  -3.264  -0.094
  141   1HG1  VAL  18          HG21      VAL  18 -11.611  -3.493   2.403
  142   2HG1  VAL  18          HG22      VAL  18 -13.188  -4.092   1.916
  143   3HG1  VAL  18          HG23      VAL  18 -11.822  -5.199   1.993
  144   1HG2  VAL  18          HG11      VAL  18 -10.032  -3.037   1.160
  145   2HG2  VAL  18          HG12      VAL  18  -9.826  -3.680  -0.461
  146   3HG2  VAL  18          HG13      VAL  18 -10.667  -2.154  -0.221
  147    H    TRP  19           HN       TRP  19 -13.386  -4.063  -1.809
  148    HA   TRP  19           HA       TRP  19 -13.068  -4.702  -4.396
  149   1HB   TRP  19          HB2       TRP  19 -13.852  -1.944  -3.564
  150   2HB   TRP  19          HB3       TRP  19 -14.563  -2.974  -4.807
  151    HD1  TRP  19           HD1      TRP  19 -16.348  -4.798  -4.015
  152    HE1  TRP  19           HE1      TRP  19 -17.722  -5.048  -1.852
  153    HE3  TRP  19           HE3      TRP  19 -13.612  -1.763  -0.910
  154    HZ2  TRP  19           HZ2      TRP  19 -17.651  -4.103   0.794
  155    HZ3  TRP  19           HZ3      TRP  19 -14.333  -1.495   1.428
  156    HH2  TRP  19           HH2      TRP  19 -16.309  -2.665   2.255
  157    H    GLU  20           HN       GLU  20 -11.398  -4.618  -5.593
  158    HA   GLU  20           HA       GLU  20  -9.381  -2.546  -5.415
  159   1HB   GLU  20          HB2       GLU  20  -8.866  -4.989  -5.737
  160   2HB   GLU  20          HB3       GLU  20  -9.523  -4.850  -7.361
  161   1HG   GLU  20          HG3       GLU  20  -7.808  -3.033  -7.749
  162   2HG   GLU  20          HG2       GLU  20  -7.056  -3.568  -6.242
  163    H    GLY  21           HN       GLY  21 -11.964  -1.703  -6.319
  164   1HA   GLY  21          HA1       GLY  21 -12.088   0.234  -7.792
  165   2HA   GLY  21          HA2       GLY  21 -11.167  -0.673  -8.971
  166    H    ASP  22           HN       ASP  22 -12.231  -2.262 -10.227
  167    HA   ASP  22           HA       ASP  22 -15.015  -1.689 -10.705
  168   1HB   ASP  22          HB3       ASP  22 -13.335  -2.232 -12.510
  169   2HB   ASP  22          HB2       ASP  22 -13.350  -3.894 -11.931
  170    H    GLU  23           HN       GLU  23 -14.973  -2.450  -8.213
  171    HA   GLU  23           HA       GLU  23 -15.747  -3.803  -6.627
  172   1HB   GLU  23          HB3       GLU  23 -17.623  -3.605  -8.552
  173   2HB   GLU  23          HB2       GLU  23 -17.487  -5.352  -8.398
  174   1HG   GLU  23          HG2       GLU  23 -19.204  -4.568  -6.923
  175   2HG   GLU  23          HG3       GLU  23 -17.836  -5.130  -5.962
  176    HA   PRO  24           HA       PRO  24 -13.743  -7.863  -7.645
  177   1HB   PRO  24          HB3       PRO  24 -11.158  -7.357  -8.239
  178   2HB   PRO  24          HB2       PRO  24 -12.430  -7.229  -9.456
  179   1HG   PRO  24          HG2       PRO  24 -10.830  -5.111  -8.256
  180   2HG   PRO  24          HG3       PRO  24 -11.957  -5.012  -9.626
  181   1HD   PRO  24          HD2       PRO  24 -12.413  -4.416  -6.760
  182   2HD   PRO  24          HD3       PRO  24 -13.297  -3.830  -8.200
  183    HA   PRO  25           HA       PRO  25 -12.083  -6.922  -3.428
  184   1HB   PRO  25          HB3       PRO  25 -13.980  -8.695  -2.244
  185   2HB   PRO  25          HB2       PRO  25 -13.934  -6.942  -2.159
  186   1HG   PRO  25          HG3       PRO  25 -15.882  -8.411  -3.450
  187   2HG   PRO  25          HG2       PRO  25 -15.505  -6.711  -3.774
  188   1HD   PRO  25          HD3       PRO  25 -14.641  -9.162  -5.271
  189   2HD   PRO  25          HD2       PRO  25 -15.132  -7.571  -5.897
  190    H    LYS  26           HN       LYS  26 -10.284  -7.936  -3.077
  191    HA   LYS  26           HA       LYS  26 -10.263 -10.848  -2.808
  192   1HB   LYS  26          HB3       LYS  26  -8.349  -9.275  -4.557
  193   2HB   LYS  26          HB2       LYS  26  -8.087 -10.939  -4.062
  194   1HG   LYS  26          HG3       LYS  26 -10.046 -11.652  -5.292
  195   2HG   LYS  26          HG2       LYS  26 -10.366  -9.978  -5.763
  196   1HD   LYS  26          HD3       LYS  26  -8.461  -9.856  -7.111
  197   2HD   LYS  26          HD2       LYS  26  -7.725 -11.268  -6.351
  198   1HE   LYS  26          HE2       LYS  26  -9.604 -12.629  -7.336
  199   2HE   LYS  26          HE3       LYS  26 -10.053 -11.198  -8.256
  200   1HZ   LYS  26          HZ1       LYS  26  -8.363 -11.478  -9.667
  201   2HZ   LYS  26          HZ2       LYS  26  -8.305 -13.062  -9.084
  202   3HZ   LYS  26          HZ3       LYS  26  -7.257 -11.898  -8.442
  203    H    LEU  27           HN       LEU  27  -8.560 -11.655  -1.545
  204    HA   LEU  27           HA       LEU  27  -7.653  -9.920   0.542
  205   1HB   LEU  27          HB3       LEU  27  -8.162 -12.319   0.893
  206   2HB   LEU  27          HB2       LEU  27  -6.824 -12.743  -0.157
  207    HG   LEU  27           HG       LEU  27  -5.259 -11.697   1.486
  208   1HD1  LEU  27          HD21      LEU  27  -7.712 -11.486   3.219
  209   2HD1  LEU  27          HD22      LEU  27  -6.057 -11.173   3.725
  210   3HD1  LEU  27          HD23      LEU  27  -6.827 -10.132   2.533
  211   1HD2  LEU  27          HD11      LEU  27  -5.216 -13.932   1.840
  212   2HD2  LEU  27          HD12      LEU  27  -5.962 -13.461   3.360
  213   3HD2  LEU  27          HD13      LEU  27  -6.970 -14.037   2.041
  214    H    ARG  28           HN       ARG  28  -6.017  -8.585   0.360
  215    HA   ARG  28           HA       ARG  28  -3.635  -9.359  -1.148
  216   1HB   ARG  28          HB2       ARG  28  -5.300  -6.902  -1.634
  217   2HB   ARG  28          HB3       ARG  28  -3.586  -6.932  -2.014
  218   1HG   ARG  28          HG2       ARG  28  -3.923  -8.779  -3.546
  219   2HG   ARG  28          HG3       ARG  28  -5.646  -8.813  -3.149
  220   1HD   ARG  28          HD2       ARG  28  -4.278  -6.355  -4.217
  221   2HD   ARG  28          HD3       ARG  28  -4.973  -7.583  -5.277
  222    HE   ARG  28           HE       ARG  28  -6.411  -5.722  -3.570
  223   1HH1  ARG  28          HH11      ARG  28  -6.968  -8.557  -5.907
  224   2HH1  ARG  28          HH12      ARG  28  -7.471  -7.085  -6.689
  225   1HH2  ARG  28          HH21      ARG  28  -8.724  -6.029  -3.457
  226   2HH2  ARG  28          HH22      ARG  28  -9.379  -6.530  -4.989
  227    H    TYR  29           HN       TYR  29  -1.745  -8.271  -0.528
  228    HA   TYR  29           HA       TYR  29  -1.948  -7.035   2.131
  229   1HB   TYR  29          HB2       TYR  29   0.345  -8.556   0.850
  230   2HB   TYR  29          HB3       TYR  29   0.411  -7.790   2.436
  231    HD1  TYR  29           HD1      TYR  29   1.094 -10.551   2.308
  232    HD2  TYR  29           HD2      TYR  29  -2.772  -8.800   2.548
  233    HE1  TYR  29           HE1      TYR  29   0.244 -12.594   3.381
  234    HE2  TYR  29           HE2      TYR  29  -3.644 -10.841   3.604
  235    HH   TYR  29           HH       TYR  29  -2.227 -13.724   3.522
  236    H    VAL  30           HN       VAL  30  -1.452  -4.972   2.314
  237    HA   VAL  30           HA       VAL  30  -0.178  -3.629   0.039
  238    HB   VAL  30           HB       VAL  30  -1.814  -2.483   2.312
  239   1HG1  VAL  30          HG21      VAL  30  -0.568  -1.018  -0.016
  240   2HG1  VAL  30          HG22      VAL  30  -1.561  -0.318   1.265
  241   3HG1  VAL  30          HG23      VAL  30   0.035  -0.975   1.651
  242   1HG2  VAL  30          HG11      VAL  30  -2.327  -3.131  -0.536
  243   2HG2  VAL  30          HG12      VAL  30  -3.364  -3.323   0.883
  244   3HG2  VAL  30          HG13      VAL  30  -3.125  -1.727   0.163
  245    H    PHE  31           HN       PHE  31   1.905  -3.410   0.175
  246    HA   PHE  31           HA       PHE  31   3.097  -2.655   2.769
  247   1HB   PHE  31          HB2       PHE  31   4.765  -3.587   0.454
  248   2HB   PHE  31          HB3       PHE  31   5.110  -3.679   2.178
  249    HD1  PHE  31           HD1      PHE  31   2.968  -5.172  -0.484
  250    HD2  PHE  31           HD2      PHE  31   4.812  -5.624   3.335
  251    HE1  PHE  31           HE1      PHE  31   2.313  -7.546  -0.443
  252    HE2  PHE  31           HE2      PHE  31   4.162  -7.993   3.379
  253    HZ   PHE  31           HZ       PHE  31   2.909  -8.960   1.490
  254    H    LEU  32           HN       LEU  32   3.629  -0.468   2.789
  255    HA   LEU  32           HA       LEU  32   4.038   0.755   0.149
  256   1HB   LEU  32          HB2       LEU  32   4.012   2.314   2.724
  257   2HB   LEU  32          HB3       LEU  32   3.721   2.866   1.080
  258    HG   LEU  32           HG       LEU  32   1.786   1.261   2.772
  259   1HD1  LEU  32          HD11      LEU  32   2.295   3.866   2.993
  260   2HD1  LEU  32          HD12      LEU  32   1.219   3.932   1.599
  261   3HD1  LEU  32          HD13      LEU  32   0.658   3.213   3.109
  262   1HD2  LEU  32          HD21      LEU  32   1.995   0.948   0.144
  263   2HD2  LEU  32          HD22      LEU  32   0.442   1.001   0.972
  264   3HD2  LEU  32          HD23      LEU  32   1.056   2.434   0.157
  265    H    PHE  33           HN       PHE  33   6.075   1.188  -0.525
  266    HA   PHE  33           HA       PHE  33   8.177   1.065   1.540
  267   1HB   PHE  33          HB3       PHE  33   8.067  -0.238  -1.163
  268   2HB   PHE  33          HB2       PHE  33   9.612   0.113  -0.401
  269    HD1  PHE  33           HD1      PHE  33   9.099  -2.565  -1.122
  270    HD2  PHE  33           HD2      PHE  33   7.840  -0.522   2.390
  271    HE1  PHE  33           HE1      PHE  33   8.920  -4.707   0.061
  272    HE2  PHE  33           HE2      PHE  33   7.677  -2.666   3.582
  273    HZ   PHE  33           HZ       PHE  33   8.213  -4.767   2.414
  274    H    ARG  34           HN       ARG  34   8.640   3.131   1.747
  275    HA   ARG  34           HA       ARG  34   9.551   5.157   1.421
  276   1HB   ARG  34          HB3       ARG  34  11.361   3.689   0.387
  277   2HB   ARG  34          HB2       ARG  34  10.708   4.166  -1.176
  278   1HG   ARG  34          HG2       ARG  34  11.130   6.528  -0.602
  279   2HG   ARG  34          HG3       ARG  34  11.869   5.996   0.915
  280   1HD   ARG  34          HD2       ARG  34  13.705   6.245  -0.482
  281   2HD   ARG  34          HD3       ARG  34  13.350   4.522  -0.596
  282    HE   ARG  34           HE       ARG  34  11.965   5.804  -2.642
  283   1HH1  ARG  34          HH11      ARG  34  15.474   6.057  -1.973
  284   2HH1  ARG  34          HH12      ARG  34  15.647   4.552  -2.837
  285   1HH2  ARG  34          HH22      ARG  34  12.872   5.263  -4.855
  286   2HH2  ARG  34          HH21      ARG  34  14.261   6.306  -4.958
  287    H    ASN  35           HN       ASN  35   9.237   4.569  -2.071
  288    HA   ASN  35           HA       ASN  35   7.387   6.863  -2.135
  289   1HB   ASN  35          HB3       ASN  35   9.221   5.760  -4.268
  290   2HB   ASN  35          HB2       ASN  35   8.035   7.037  -4.541
  291   1HD2  ASN  35          HD21      ASN  35   8.689   9.006  -4.332
  292   2HD2  ASN  35          HD22      ASN  35   9.974   9.558  -3.321
  293    H    LYS  36           HN       LYS  36   7.862   3.599  -3.398
  294    HA   LYS  36           HA       LYS  36   5.212   3.792  -4.613
  295   1HB   LYS  36          HB3       LYS  36   5.876   1.801  -5.905
  296   2HB   LYS  36          HB2       LYS  36   6.926   3.190  -6.157
  297   1HG   LYS  36          HG2       LYS  36   8.495   1.558  -5.990
  298   2HG   LYS  36          HG3       LYS  36   8.372   2.013  -4.285
  299   1HD   LYS  36          HD2       LYS  36   6.960   0.135  -3.818
  300   2HD   LYS  36          HD3       LYS  36   6.825  -0.250  -5.536
  301   1HE   LYS  36          HE2       LYS  36   9.409  -0.309  -3.971
  302   2HE   LYS  36          HE3       LYS  36   8.414  -1.726  -4.308
  303   1HZ   LYS  36          HZ1       LYS  36  10.355  -0.487  -5.955
  304   2HZ   LYS  36          HZ2       LYS  36   8.849  -0.442  -6.741
  305   3HZ   LYS  36          HZ3       LYS  36   9.489  -1.925  -6.218
  306    H    ILE  37           HN       ILE  37   3.747   2.120  -4.511
  307    HA   ILE  37           HA       ILE  37   3.648   0.784  -1.899
  308    HB   ILE  37           HB       ILE  37   1.538   1.053  -4.064
  309   1HG1  ILE  37          HG13      ILE  37   1.725   2.409  -1.368
  310   2HG1  ILE  37          HG12      ILE  37   2.077   3.179  -2.916
  311   1HG2  ILE  37          HG21      ILE  37   1.221  -0.995  -2.776
  312   2HG2  ILE  37          HG22      ILE  37   1.275  -0.073  -1.278
  313   3HG2  ILE  37          HG23      ILE  37  -0.045   0.176  -2.412
  314   1HD1  ILE  37          HD11      ILE  37  -0.570   1.908  -2.645
  315   2HD1  ILE  37          HD12      ILE  37  -0.287   3.355  -1.694
  316   3HD1  ILE  37          HD13      ILE  37  -0.099   3.409  -3.444
  317    H    MET  38           HN       MET  38   3.979  -1.380  -1.745
  318    HA   MET  38           HA       MET  38   4.328  -2.931  -4.209
  319   1HB   MET  38          HB2       MET  38   6.185  -3.040  -2.636
  320   2HB   MET  38          HB3       MET  38   5.093  -3.496  -1.334
  321   1HG   MET  38          HG3       MET  38   4.642  -5.610  -2.378
  322   2HG   MET  38          HG2       MET  38   5.600  -5.163  -3.783
  323   1HE   MET  38          HE1       MET  38   7.344  -8.072  -1.657
  324   2HE   MET  38          HE2       MET  38   5.804  -7.743  -2.447
  325   3HE   MET  38          HE3       MET  38   7.307  -7.606  -3.354
  326    H    PHE  39           HN       PHE  39   2.720  -4.234  -4.856
  327    HA   PHE  39           HA       PHE  39   0.636  -4.932  -2.884
  328   1HB   PHE  39          HB3       PHE  39   0.541  -3.674  -5.416
  329   2HB   PHE  39          HB2       PHE  39  -0.279  -5.219  -5.566
  330    HD1  PHE  39           HD1      PHE  39  -0.112  -2.389  -3.156
  331    HD2  PHE  39           HD2      PHE  39  -2.537  -5.184  -5.251
  332    HE1  PHE  39           HE1      PHE  39  -2.122  -1.365  -2.184
  333    HE2  PHE  39           HE2      PHE  39  -4.558  -4.163  -4.290
  334    HZ   PHE  39           HZ       PHE  39  -4.353  -2.244  -2.752
  335    H    THR  40           HN       THR  40   0.259  -7.023  -2.498
  336    HA   THR  40           HA       THR  40   1.169  -8.998  -4.490
  337    HB   THR  40           HB       THR  40   1.456 -10.591  -2.556
  338    HG1  THR  40           HG1      THR  40   1.747  -8.527  -0.769
  339   1HG2  THR  40          HG21      THR  40   3.275  -8.266  -2.077
  340   2HG2  THR  40          HG22      THR  40   3.391  -9.232  -3.549
  341   3HG2  THR  40          HG23      THR  40   3.614  -9.994  -1.976
  342    H    GLU  41           HN       GLU  41  -0.274 -10.677  -4.921
  343    HA   GLU  41           HA       GLU  41  -2.977 -10.206  -3.887
  344   1HB   GLU  41          HB2       GLU  41  -2.495 -10.267  -6.395
  345   2HB   GLU  41          HB3       GLU  41  -2.203 -11.988  -6.196
  346   1HG   GLU  41          HG3       GLU  41  -4.463 -12.326  -5.420
  347   2HG   GLU  41          HG2       GLU  41  -4.784 -10.601  -5.510
  348    H    GLN  42           HN       GLN  42  -3.945 -11.653  -2.588
  349    HA   GLN  42           HA       GLN  42  -2.674 -14.293  -2.228
  350   1HB   GLN  42          HB2       GLN  42  -4.042 -12.698  -0.049
  351   2HB   GLN  42          HB3       GLN  42  -3.155 -14.200   0.136
  352   1HG   GLN  42          HG2       GLN  42  -1.951 -11.544  -0.603
  353   2HG   GLN  42          HG3       GLN  42  -1.942 -12.273   0.997
  354   1HE2  GLN  42          HE21      GLN  42   0.088 -11.583  -1.211
  355   2HE2  GLN  42          HE22      GLN  42   1.203 -12.883  -0.976
  356    H    ASP  43           HN       ASP  43  -4.684 -13.795  -4.050
  357    HA   ASP  43           HA       ASP  43  -7.150 -14.681  -2.733
  358   1HB   ASP  43          HB3       ASP  43  -7.305 -12.597  -4.028
  359   2HB   ASP  43          HB2       ASP  43  -6.773 -13.457  -5.469
  360    H    ALA  44           HN       ALA  44  -8.497 -16.174  -3.731
  361    HA   ALA  44           HA       ALA  44  -7.454 -17.933  -5.793
  362   1HB   ALA  44          HB1       ALA  44  -6.940 -19.626  -4.453
  363   2HB   ALA  44          HB2       ALA  44  -7.318 -18.637  -3.045
  364   3HB   ALA  44          HB3       ALA  44  -8.572 -19.610  -3.806
  365    H    SER  45           HN       SER  45  -9.463 -16.075  -5.976
  366    HA   SER  45           HA       SER  45 -11.905 -17.643  -5.776
  367   1HB   SER  45          HB3       SER  45 -11.661 -14.654  -6.068
  368   2HB   SER  45          HB2       SER  45 -13.107 -15.567  -5.683
  369    HG   SER  45           HG       SER  45 -10.818 -15.102  -4.093
  370    H    THR  46           HN       THR  46 -13.289 -17.630  -7.343
  371    HA   THR  46           HA       THR  46 -14.087 -17.979  -9.399
  372    HB   THR  46           HB       THR  46 -13.871 -16.109 -11.040
  373    HG1  THR  46           HG1      THR  46 -11.796 -15.434  -9.420
  374   1HG2  THR  46          HG21      THR  46 -14.512 -14.410  -8.900
  375   2HG2  THR  46          HG22      THR  46 -15.073 -16.018  -8.463
  376   3HG2  THR  46          HG23      THR  46 -15.604 -15.276  -9.977
  377    H    SER  47           HN       SER  47 -12.240 -16.621 -11.684
  378    HA   SER  47           HA       SER  47 -10.936 -19.169 -12.233
  379   1HB   SER  47          HB2       SER  47 -11.644 -16.920 -14.112
  380   2HB   SER  47          HB3       SER  47 -10.974 -18.486 -14.583
  381    HG   SER  47           HG       SER  47 -12.947 -19.293 -13.325
  382    HA   PRO  48           HA       PRO  48  -7.259 -16.338 -12.813
  383   1HB   PRO  48          HB3       PRO  48  -7.508 -13.689 -13.119
  384   2HB   PRO  48          HB2       PRO  48  -7.992 -14.821 -14.386
  385   1HG   PRO  48          HG2       PRO  48  -9.679 -13.138 -12.668
  386   2HG   PRO  48          HG3       PRO  48 -10.102 -13.974 -14.171
  387   1HD   PRO  48          HD3       PRO  48 -10.532 -14.822 -11.400
  388   2HD   PRO  48          HD2       PRO  48 -11.230 -15.472 -12.892
  389    HA   PRO  49           HA       PRO  49  -7.027 -14.753  -8.492
  390   1HB   PRO  49          HB3       PRO  49  -6.572 -17.057  -7.184
  391   2HB   PRO  49          HB2       PRO  49  -8.200 -16.598  -7.690
  392   1HG   PRO  49          HG3       PRO  49  -6.459 -18.723  -8.721
  393   2HG   PRO  49          HG2       PRO  49  -8.200 -18.501  -8.954
  394   1HD   PRO  49          HD2       PRO  49  -5.983 -17.747 -10.708
  395   2HD   PRO  49          HD3       PRO  49  -7.726 -17.816 -11.064
  396    H    SER  50           HN       SER  50  -5.219 -16.223  -6.832
  397    HA   SER  50           HA       SER  50  -3.050 -16.388  -6.269
  398   1HB   SER  50          HB3       SER  50  -2.570 -16.824  -9.224
  399   2HB   SER  50          HB2       SER  50  -1.470 -17.249  -7.906
  400    HG   SER  50           HG       SER  50  -3.533 -18.473  -7.171
  401    H    TYR  51           HN       TYR  51  -2.222 -15.051  -9.436
  402    HA   TYR  51           HA       TYR  51  -1.878 -12.416  -8.301
  403   1HB   TYR  51          HB3       TYR  51   0.174 -13.400  -7.562
  404   2HB   TYR  51          HB2       TYR  51   0.474 -14.116  -9.137
  405    HD1  TYR  51           HD1      TYR  51  -0.070 -10.778  -7.594
  406    HD2  TYR  51           HD2      TYR  51   1.964 -13.070 -10.531
  407    HE1  TYR  51           HE1      TYR  51   1.207  -8.787  -8.252
  408    HE2  TYR  51           HE2      TYR  51   3.249 -11.088 -11.207
  409    HH   TYR  51           HH       TYR  51   3.937  -8.914 -10.270
  410    H    THR  52           HN       THR  52  -2.819 -11.204  -9.790
  411    HA   THR  52           HA       THR  52  -2.209 -11.785 -12.608
  412    HB   THR  52           HB       THR  52  -4.506 -12.259 -12.203
  413    HG1  THR  52           HG1      THR  52  -4.599  -9.678 -13.322
  414   1HG2  THR  52          HG21      THR  52  -5.965 -10.161 -11.524
  415   2HG2  THR  52          HG22      THR  52  -4.501  -9.763 -10.638
  416   3HG2  THR  52          HG23      THR  52  -5.316 -11.283 -10.338
  417    H    HIS  53           HN       HIS  53  -0.317 -10.476 -12.240
  418    HA   HIS  53           HA       HIS  53   0.959  -8.630 -12.470
  419   1HB   HIS  53          HB2       HIS  53  -1.442  -7.861 -14.110
  420   2HB   HIS  53          HB3       HIS  53   0.039  -6.903 -14.081
  421    HD1  HIS  53           HD1      HIS  53   2.290  -8.485 -14.684
  422    HD2  HIS  53           HD2      HIS  53  -1.438  -9.701 -16.086
  423    HE1  HIS  53           HE1      HIS  53   2.755 -10.133 -16.538
  424    HE2  HIS  53           HE2      HIS  53   0.489 -10.795 -17.415
  425    H    TYR  54           HN       TYR  54   1.273  -7.781 -10.473
  426    HA   TYR  54           HA       TYR  54  -0.293  -5.362  -9.880
  427   1HB   TYR  54          HB3       TYR  54   0.527  -7.521  -7.937
  428   2HB   TYR  54          HB2       TYR  54   0.134  -5.885  -7.415
  429    HD1  TYR  54           HD1      TYR  54  -1.311  -8.655  -9.470
  430    HD2  TYR  54           HD2      TYR  54  -2.033  -5.400  -6.840
  431    HE1  TYR  54           HE1      TYR  54  -3.705  -9.210  -9.450
  432    HE2  TYR  54           HE2      TYR  54  -4.423  -5.955  -6.802
  433    HH   TYR  54           HH       TYR  54  -6.066  -7.107  -8.066
  434    H    SER  55           HN       SER  55   2.530  -7.026  -8.498
  435    HA   SER  55           HA       SER  55   4.635  -6.380  -8.039
  436   1HB   SER  55          HB2       SER  55   4.629  -6.183 -10.569
  437   2HB   SER  55          HB3       SER  55   4.396  -4.446 -10.357
  438    HG   SER  55           HG       SER  55   6.619  -6.057  -9.700
  439    H    SER  56           HN       SER  56   4.621  -3.189  -9.190
  440    HA   SER  56           HA       SER  56   3.935  -2.157  -6.521
  441   1HB   SER  56          HB3       SER  56   6.250  -1.206  -8.224
  442   2HB   SER  56          HB2       SER  56   5.843  -0.674  -6.593
  443    HG   SER  56           HG       SER  56   7.059  -3.033  -7.458
  444    H    ILE  57           HN       ILE  57   3.003  -0.080  -6.471
  445    HA   ILE  57           HA       ILE  57   2.062   0.846  -9.105
  446    HB   ILE  57           HB       ILE  57   0.402   0.205  -7.247
  447   1HG1  ILE  57          HG12      ILE  57   0.203   2.900  -8.625
  448   2HG1  ILE  57          HG13      ILE  57  -0.197   1.346  -9.346
  449   1HG2  ILE  57          HG21      ILE  57   1.158   1.261  -5.342
  450   2HG2  ILE  57          HG22      ILE  57   1.534   2.760  -6.194
  451   3HG2  ILE  57          HG23      ILE  57  -0.140   2.317  -5.862
  452   1HD1  ILE  57          HD11      ILE  57  -1.608   1.890  -6.856
  453   2HD1  ILE  57          HD12      ILE  57  -1.965   3.022  -8.162
  454   3HD1  ILE  57          HD13      ILE  57  -2.212   1.293  -8.398
  455    H    ARG  58           HN       ARG  58   1.715   3.318  -9.155
  456    HA   ARG  58           HA       ARG  58   4.173   4.499  -8.041
  457   1HB   ARG  58          HB3       ARG  58   3.363   4.381 -10.670
  458   2HB   ARG  58          HB2       ARG  58   2.914   6.012 -10.180
  459   1HG   ARG  58          HG3       ARG  58   5.670   4.824  -9.923
  460   2HG   ARG  58          HG2       ARG  58   5.126   5.951 -11.171
  461   1HD   ARG  58          HD3       ARG  58   4.718   7.661  -9.559
  462   2HD   ARG  58          HD2       ARG  58   5.083   6.552  -8.236
  463    HE   ARG  58           HE       ARG  58   7.245   7.184  -8.475
  464   1HH1  ARG  58          HH12      ARG  58   6.438   7.050 -12.160
  465   2HH1  ARG  58          HH11      ARG  58   6.589   8.756 -11.843
  466   1HH2  ARG  58          HH22      ARG  58   9.329   7.047 -10.262
  467   2HH2  ARG  58          HH21      ARG  58   9.009   8.676 -10.762
  468    H    LEU  59           HN       LEU  59   4.105   6.075  -6.694
  469    HA   LEU  59           HA       LEU  59   1.545   7.325  -6.017
  470   1HB   LEU  59          HB2       LEU  59   4.144   6.967  -4.551
  471   2HB   LEU  59          HB3       LEU  59   2.950   8.115  -3.993
  472    HG   LEU  59           HG       LEU  59   1.317   6.226  -3.833
  473   1HD1  LEU  59          HD11      LEU  59   1.789   4.146  -4.468
  474   2HD1  LEU  59          HD12      LEU  59   3.117   4.875  -5.370
  475   3HD1  LEU  59          HD13      LEU  59   3.399   4.195  -3.770
  476   1HD2  LEU  59          HD21      LEU  59   2.484   5.182  -1.827
  477   2HD2  LEU  59          HD22      LEU  59   3.829   6.255  -2.202
  478   3HD2  LEU  59          HD23      LEU  59   2.249   6.931  -1.815
  479    H    ASP  60           HN       ASP  60   3.570   8.143  -8.265
  480    HA   ASP  60           HA       ASP  60   4.214  10.819  -7.295
  481   1HB   ASP  60          HB3       ASP  60   5.877   9.541  -8.635
  482   2HB   ASP  60          HB2       ASP  60   4.795   9.658 -10.020
  483    H    LYS  61           HN       LYS  61   1.976   9.259  -9.509
  484    HA   LYS  61           HA       LYS  61   0.757  11.902  -9.859
  485   1HB   LYS  61          HB2       LYS  61   1.334   9.883 -11.998
  486   2HB   LYS  61          HB3       LYS  61   0.108  11.126 -12.201
  487   1HG   LYS  61          HG2       LYS  61   1.877  12.826 -11.716
  488   2HG   LYS  61          HG3       LYS  61   3.059  11.513 -11.792
  489   1HD   LYS  61          HD3       LYS  61   2.309  11.014 -14.091
  490   2HD   LYS  61          HD2       LYS  61   1.208  12.404 -13.996
  491   1HE   LYS  61          HE2       LYS  61   3.207  13.830 -13.501
  492   2HE   LYS  61          HE3       LYS  61   4.223  12.436 -13.867
  493   1HZ   LYS  61          HZ1       LYS  61   2.237  13.527 -15.767
  494   2HZ   LYS  61          HZ2       LYS  61   3.482  12.428 -16.085
  495   3HZ   LYS  61          HZ3       LYS  61   3.853  14.039 -15.724
  496    H    TYR  62           HN       TYR  62  -0.245  10.366  -7.903
  497    HA   TYR  62           HA       TYR  62  -2.850   9.713  -9.046
  498   1HB   TYR  62          HB3       TYR  62  -3.067   7.589  -8.214
  499   2HB   TYR  62          HB2       TYR  62  -1.326   7.600  -8.502
  500    HD1  TYR  62           HD1      TYR  62  -3.766   8.292  -5.702
  501    HD2  TYR  62           HD2      TYR  62   0.055   6.843  -6.860
  502    HE1  TYR  62           HE1      TYR  62  -3.340   7.584  -3.398
  503    HE2  TYR  62           HE2      TYR  62   0.481   6.141  -4.553
  504    HH   TYR  62           HH       TYR  62  -0.619   7.102  -2.109
  505    H    ASN  63           HN       ASN  63  -4.594  10.061  -7.635
  506    HA   ASN  63           HA       ASN  63  -3.976  11.937  -5.482
  507   1HB   ASN  63          HB3       ASN  63  -5.717  12.433  -7.302
  508   2HB   ASN  63          HB2       ASN  63  -6.720  11.213  -6.514
  509   1HD2  ASN  63          HD21      ASN  63  -6.239  14.405  -6.762
  510   2HD2  ASN  63          HD22      ASN  63  -6.909  14.906  -5.237
  511    H    ILE  64           HN       ILE  64  -3.943  11.209  -3.465
  512    HA   ILE  64           HA       ILE  64  -5.224   8.641  -2.927
  513    HB   ILE  64           HB       ILE  64  -2.863   8.871  -2.289
  514   1HG1  ILE  64          HG12      ILE  64  -3.084   8.050   0.053
  515   2HG1  ILE  64          HG13      ILE  64  -4.778   8.507   0.013
  516   1HG2  ILE  64          HG21      ILE  64  -2.213  10.228  -0.347
  517   2HG2  ILE  64          HG22      ILE  64  -2.779  11.223  -1.687
  518   3HG2  ILE  64          HG23      ILE  64  -3.836  10.917  -0.297
  519   1HD1  ILE  64          HD11      ILE  64  -3.490   6.514  -1.832
  520   2HD1  ILE  64          HD12      ILE  64  -4.427   6.114  -0.392
  521   3HD1  ILE  64          HD13      ILE  64  -5.210   6.915  -1.750
  522    H    ARG  65           HN       ARG  65  -7.200   8.654  -2.197
  523    HA   ARG  65           HA       ARG  65  -8.147  10.970  -0.672
  524   1HB   ARG  65          HB2       ARG  65 -10.007   8.933  -1.734
  525   2HB   ARG  65          HB3       ARG  65 -10.235  10.658  -1.547
  526   1HG   ARG  65          HG3       ARG  65  -8.729  11.056  -3.445
  527   2HG   ARG  65          HG2       ARG  65  -8.599   9.309  -3.676
  528   1HD   ARG  65          HD3       ARG  65 -10.216  10.298  -5.213
  529   2HD   ARG  65          HD2       ARG  65 -10.981   9.159  -4.101
  530    HE   ARG  65           HE       ARG  65 -11.233  11.675  -2.948
  531   1HH1  ARG  65          HH11      ARG  65 -12.879   9.944  -5.783
  532   2HH1  ARG  65          HH12      ARG  65 -12.985  11.566  -6.395
  533   1HH2  ARG  65          HH21      ARG  65 -13.185  13.270  -3.844
  534   2HH2  ARG  65          HH22      ARG  65 -14.344  11.976  -3.579
  535    H    GLN  66           HN       GLN  66  -9.770  10.473   0.986
  536    HA   GLN  66           HA       GLN  66  -9.777   7.862   2.189
  537   1HB   GLN  66          HB2       GLN  66  -7.601   8.694   2.962
  538   2HB   GLN  66          HB3       GLN  66  -8.354  10.173   3.550
  539   1HG   GLN  66          HG3       GLN  66  -9.555   8.911   5.243
  540   2HG   GLN  66          HG2       GLN  66  -8.875   7.408   4.626
  541   1HE2  GLN  66          HE21      GLN  66  -6.560   9.773   4.346
  542   2HE2  GLN  66          HE22      GLN  66  -5.629   9.308   5.715
  543    H    HIS  67           HN       HIS  67 -11.783   7.626   3.063
  544    HA   HIS  67           HA       HIS  67 -13.168  10.102   3.845
  545   1HB   HIS  67          HB3       HIS  67 -14.287   7.644   2.508
  546   2HB   HIS  67          HB2       HIS  67 -15.294   8.867   3.263
  547    HD1  HIS  67           HD1      HIS  67 -14.323  11.457   2.316
  548    HD2  HIS  67           HD2      HIS  67 -14.297   8.104  -0.137
  549    HE1  HIS  67           HE1      HIS  67 -14.253  12.338  -0.034
  550    HE2  HIS  67           HE2      HIS  67 -14.546  10.301  -1.483
  551    H    THR  68           HN       THR  68 -14.927   9.741   5.494
  552    HA   THR  68           HA       THR  68 -14.182   7.540   7.311
  553    HB   THR  68           HB       THR  68 -15.008  10.296   8.222
  554    HG1  THR  68           HG1      THR  68 -12.365   9.263   8.007
  555   1HG2  THR  68          HG21      THR  68 -15.251   8.935  10.069
  556   2HG2  THR  68          HG22      THR  68 -13.595   9.513  10.234
  557   3HG2  THR  68          HG23      THR  68 -13.903   7.894   9.612
  558    H    THR  69           HN       THR  69 -15.998   6.408   6.342
  559    HA   THR  69           HA       THR  69 -18.664   7.417   6.650
  560    HB   THR  69           HB       THR  69 -19.117   4.884   6.086
  561    HG1  THR  69           HG1      THR  69 -17.387   3.817   5.280
  562   1HG2  THR  69          HG21      THR  69 -17.754   6.702   4.101
  563   2HG2  THR  69          HG22      THR  69 -19.493   6.619   4.437
  564   3HG2  THR  69          HG23      THR  69 -18.666   5.240   3.706
  565    H    ASP  70           HN       ASP  70 -16.537   5.269   8.292
  566    HA   ASP  70           HA       ASP  70 -17.944   5.436  10.811
  567   1HB   ASP  70          HB2       ASP  70 -18.971   3.380   9.769
  568   2HB   ASP  70          HB3       ASP  70 -17.356   2.711   9.584
  569    H    GLU  71           HN       GLU  71 -15.601   3.660   8.944
  570    HA   GLU  71           HA       GLU  71 -13.484   4.483  10.800
  571   1HB   GLU  71          HB3       GLU  71 -13.774   2.067   9.024
  572   2HB   GLU  71          HB2       GLU  71 -12.184   2.639   9.520
  573   1HG   GLU  71          HG3       GLU  71 -13.131   2.510  11.915
  574   2HG   GLU  71          HG2       GLU  71 -14.390   1.506  11.190
  575    H    ASP  72           HN       ASP  72 -11.355   4.154   8.945
  576    HA   ASP  72           HA       ASP  72 -12.135   6.193   6.980
  577   1HB   ASP  72          HB2       ASP  72  -9.436   5.687   8.225
  578   2HB   ASP  72          HB3       ASP  72  -9.713   6.804   6.891
  579    H    THR  73           HN       THR  73 -11.957   5.815   4.931
  580    HA   THR  73           HA       THR  73 -10.800   3.248   4.059
  581    HB   THR  73           HB       THR  73 -12.915   4.953   2.701
  582    HG1  THR  73           HG1      THR  73 -13.249   3.620   4.849
  583   1HG2  THR  73          HG21      THR  73 -12.703   3.625   0.955
  584   2HG2  THR  73          HG22      THR  73 -13.197   2.266   1.971
  585   3HG2  THR  73          HG23      THR  73 -11.491   2.648   1.782
  586    H    ILE  74           HN       ILE  74  -9.066   3.299   2.733
  587    HA   ILE  74           HA       ILE  74  -8.151   5.882   1.711
  588    HB   ILE  74           HB       ILE  74  -6.796   3.180   1.708
  589   1HG1  ILE  74          HG12      ILE  74  -7.191   4.069   3.969
  590   2HG1  ILE  74          HG13      ILE  74  -5.479   3.991   3.577
  591   1HG2  ILE  74          HG21      ILE  74  -5.701   5.899   1.058
  592   2HG2  ILE  74          HG22      ILE  74  -4.739   4.436   1.249
  593   3HG2  ILE  74          HG23      ILE  74  -5.919   4.547  -0.051
  594   1HD1  ILE  74          HD11      ILE  74  -7.148   6.497   3.419
  595   2HD1  ILE  74          HD12      ILE  74  -6.158   6.030   4.802
  596   3HD1  ILE  74          HD13      ILE  74  -5.403   6.366   3.251
  597    H    VAL  75           HN       VAL  75  -8.603   6.470  -0.324
  598    HA   VAL  75           HA       VAL  75  -9.209   4.372  -2.333
  599    HB   VAL  75           HB       VAL  75 -10.287   7.192  -2.203
  600   1HG1  VAL  75          HG21      VAL  75 -11.934   5.928  -3.902
  601   2HG1  VAL  75          HG22      VAL  75 -10.516   6.830  -4.413
  602   3HG1  VAL  75          HG23      VAL  75 -10.431   5.076  -4.247
  603   1HG2  VAL  75          HG11      VAL  75 -11.154   5.590  -0.441
  604   2HG2  VAL  75          HG12      VAL  75 -12.351   6.375  -1.450
  605   3HG2  VAL  75          HG13      VAL  75 -11.900   4.708  -1.759
  606    H    LEU  76           HN       LEU  76  -7.974   4.413  -4.154
  607    HA   LEU  76           HA       LEU  76  -6.138   6.685  -4.465
  608   1HB   LEU  76          HB2       LEU  76  -5.974   3.831  -5.427
  609   2HB   LEU  76          HB3       LEU  76  -4.886   5.085  -5.983
  610    HG   LEU  76           HG       LEU  76  -4.208   5.431  -3.560
  611   1HD1  LEU  76          HD11      LEU  76  -4.761   3.942  -1.888
  612   2HD1  LEU  76          HD12      LEU  76  -6.291   4.113  -2.744
  613   3HD1  LEU  76          HD13      LEU  76  -5.284   2.695  -3.024
  614   1HD2  LEU  76          HD21      LEU  76  -3.282   2.783  -3.835
  615   2HD2  LEU  76          HD22      LEU  76  -3.445   3.460  -5.453
  616   3HD2  LEU  76          HD23      LEU  76  -2.457   4.283  -4.245
  617    H    GLN  77           HN       GLN  77  -6.541   8.111  -6.007
  618    HA   GLN  77           HA       GLN  77  -8.270   7.328  -8.271
  619   1HB   GLN  77          HB2       GLN  77  -8.854   9.257  -6.559
  620   2HB   GLN  77          HB3       GLN  77  -7.742  10.183  -7.563
  621   1HG   GLN  77          HG3       GLN  77  -9.939  10.571  -8.369
  622   2HG   GLN  77          HG2       GLN  77  -9.100   9.550  -9.543
  623   1HE2  GLN  77          HE21      GLN  77 -10.485   8.222 -10.399
  624   2HE2  GLN  77          HE22      GLN  77 -11.807   7.458  -9.593
  625    HA   PRO  78           HA       PRO  78  -4.399   7.982 -10.473
  626   1HB   PRO  78          HB2       PRO  78  -5.061   6.578 -12.653
  627   2HB   PRO  78          HB3       PRO  78  -4.638   5.786 -11.128
  628   1HG   PRO  78          HG3       PRO  78  -7.340   6.341 -12.295
  629   2HG   PRO  78          HG2       PRO  78  -6.747   4.861 -11.520
  630   1HD   PRO  78          HD3       PRO  78  -8.282   6.723 -10.250
  631   2HD   PRO  78          HD2       PRO  78  -7.114   5.676  -9.411
  632    H    GLN  79           HN       GLN  79  -3.792   9.496 -11.874
  633    HA   GLN  79           HA       GLN  79  -5.874  10.828 -13.485
  634   1HB   GLN  79          HB2       GLN  79  -4.513  12.841 -13.433
  635   2HB   GLN  79          HB3       GLN  79  -4.789  12.295 -11.785
  636   1HG   GLN  79          HG3       GLN  79  -2.583  11.324 -11.692
  637   2HG   GLN  79          HG2       GLN  79  -2.305  11.724 -13.377
  638   1HE2  GLN  79          HE21      GLN  79  -1.660  12.618 -10.308
  639   2HE2  GLN  79          HE22      GLN  79  -1.195  14.256 -10.598
  640    H    GLU  80           HN       GLU  80  -3.772   8.517 -13.783
  641    HA   GLU  80           HA       GLU  80  -2.863   9.333 -16.459
  642   1HB   GLU  80          HB3       GLU  80  -1.400   7.898 -14.276
  643   2HB   GLU  80          HB2       GLU  80  -0.987   7.589 -15.956
  644   1HG   GLU  80          HG2       GLU  80  -1.040  10.355 -14.808
  645   2HG   GLU  80          HG3       GLU  80   0.386   9.319 -14.739
  646    HA   PRO  81           HA       PRO  81  -5.243   5.821 -17.763
  647   1HB   PRO  81          HB2       PRO  81  -3.590   6.012 -20.199
  648   2HB   PRO  81          HB3       PRO  81  -5.339   6.121 -20.024
  649   1HG   PRO  81          HG2       PRO  81  -3.842   8.284 -20.570
  650   2HG   PRO  81          HG3       PRO  81  -5.293   8.385 -19.574
  651   1HD   PRO  81          HD3       PRO  81  -2.415   8.373 -18.754
  652   2HD   PRO  81          HD2       PRO  81  -3.781   9.287 -18.076
  653    H    GLY  82           HN       GLY  82  -4.713   3.907 -16.920
  654   1HA   GLY  82          HA1       GLY  82  -3.315   1.877 -17.675
  655   2HA   GLY  82          HA2       GLY  82  -1.952   2.920 -17.246
  656    H    LEU  83           HN       LEU  83  -3.624   4.152 -15.109
  657    HA   LEU  83           HA       LEU  83  -3.205   2.072 -13.076
  658   1HB   LEU  83          HB3       LEU  83  -3.378   5.073 -12.903
  659   2HB   LEU  83          HB2       LEU  83  -3.457   4.053 -11.486
  660    HG   LEU  83           HG       LEU  83  -1.109   4.301 -13.374
  661   1HD1  LEU  83          HD21      LEU  83  -1.557   5.182 -10.526
  662   2HD1  LEU  83          HD22      LEU  83  -0.022   5.279 -11.390
  663   3HD1  LEU  83          HD23      LEU  83  -1.408   6.228 -11.940
  664   1HD2  LEU  83          HD11      LEU  83  -0.029   2.952 -11.417
  665   2HD2  LEU  83          HD12      LEU  83  -1.682   2.448 -11.088
  666   3HD2  LEU  83          HD13      LEU  83  -0.955   2.092 -12.655
  667    HA   PRO  84           HA       PRO  84  -7.636   1.913 -12.609
  668   1HB   PRO  84          HB2       PRO  84  -7.687   0.042 -10.680
  669   2HB   PRO  84          HB3       PRO  84  -7.217  -0.361 -12.328
  670   1HG   PRO  84          HG2       PRO  84  -5.520   0.066  -9.917
  671   2HG   PRO  84          HG3       PRO  84  -5.325  -1.102 -11.241
  672   1HD   PRO  84          HD2       PRO  84  -3.948   1.296 -11.002
  673   2HD   PRO  84          HD3       PRO  84  -4.147   0.364 -12.505
  674    H    SER  85           HN       SER  85  -9.225   2.219 -10.843
  675    HA   SER  85           HA       SER  85  -8.105   3.854  -8.667
  676   1HB   SER  85          HB2       SER  85 -10.534   4.795  -8.632
  677   2HB   SER  85          HB3       SER  85  -9.402   5.368  -9.859
  678    HG   SER  85           HG       SER  85 -10.416   4.205 -11.382
  679    H    PHE  86           HN       PHE  86  -8.009   2.576  -6.960
  680    HA   PHE  86           HA       PHE  86 -10.313   0.849  -6.419
  681   1HB   PHE  86          HB3       PHE  86  -8.900  -0.805  -5.542
  682   2HB   PHE  86          HB2       PHE  86  -8.107  -0.258  -7.010
  683    HD1  PHE  86           HD1      PHE  86  -8.073   0.168  -3.337
  684    HD2  PHE  86           HD2      PHE  86  -5.853   0.361  -6.962
  685    HE1  PHE  86           HE1      PHE  86  -5.996   0.419  -2.047
  686    HE2  PHE  86           HE2      PHE  86  -3.771   0.627  -5.674
  687    HZ   PHE  86           HZ       PHE  86  -3.854   0.640  -3.203
  688    H    ARG  87           HN       ARG  87 -10.719   0.371  -4.129
  689    HA   ARG  87           HA       ARG  87  -9.792   2.492  -2.338
  690   1HB   ARG  87          HB3       ARG  87 -12.359   2.052  -1.440
  691   2HB   ARG  87          HB2       ARG  87 -11.819   3.441  -2.359
  692   1HG   ARG  87          HG3       ARG  87 -13.844   2.618  -3.318
  693   2HG   ARG  87          HG2       ARG  87 -12.520   2.307  -4.446
  694   1HD   ARG  87          HD3       ARG  87 -12.424  -0.019  -3.550
  695   2HD   ARG  87          HD2       ARG  87 -13.871   0.342  -2.607
  696    HE   ARG  87           HE       ARG  87 -13.731  -0.182  -5.440
  697   1HH1  ARG  87          HH11      ARG  87 -16.151   1.614  -3.191
  698   2HH1  ARG  87          HH12      ARG  87 -16.817   0.006  -3.295
  699   1HH2  ARG  87          HH22      ARG  87 -16.159   0.817  -6.618
  700   2HH2  ARG  87          HH21      ARG  87 -16.642  -0.701  -5.907
  701    H    ILE  88           HN       ILE  88  -9.084   1.718  -0.450
  702    HA   ILE  88           HA       ILE  88  -9.804  -1.064   0.157
  703    HB   ILE  88           HB       ILE  88  -7.568  -1.303   1.224
  704   1HG1  ILE  88          HG12      ILE  88  -6.949   1.273  -0.243
  705   2HG1  ILE  88          HG13      ILE  88  -7.051   1.079   1.504
  706   1HG2  ILE  88          HG21      ILE  88  -6.476  -1.025  -1.296
  707   2HG2  ILE  88          HG22      ILE  88  -7.321  -2.440  -0.646
  708   3HG2  ILE  88          HG23      ILE  88  -8.201  -1.243  -1.588
  709   1HD1  ILE  88          HD11      ILE  88  -5.106  -0.495  -0.142
  710   2HD1  ILE  88          HD12      ILE  88  -4.739   1.111   0.481
  711   3HD1  ILE  88          HD13      ILE  88  -5.106  -0.201   1.590
  712    H    LYS  89           HN       LYS  89 -10.257  -1.652   2.115
  713    HA   LYS  89           HA       LYS  89  -9.892   0.195   4.328
  714   1HB   LYS  89          HB3       LYS  89 -12.102  -0.255   5.198
  715   2HB   LYS  89          HB2       LYS  89 -12.284   0.322   3.552
  716   1HG   LYS  89          HG2       LYS  89 -12.844  -1.796   2.732
  717   2HG   LYS  89          HG3       LYS  89 -12.348  -2.589   4.255
  718   1HD   LYS  89          HD3       LYS  89 -14.140  -1.085   5.344
  719   2HD   LYS  89          HD2       LYS  89 -14.749  -0.877   3.694
  720   1HE   LYS  89          HE3       LYS  89 -15.112  -3.213   3.454
  721   2HE   LYS  89          HE2       LYS  89 -14.291  -3.548   4.989
  722   1HZ   LYS  89          HZ1       LYS  89 -16.591  -3.627   5.406
  723   2HZ   LYS  89          HZ2       LYS  89 -16.884  -2.178   4.587
  724   3HZ   LYS  89          HZ3       LYS  89 -16.051  -2.163   6.053
  725    HA   PRO  90           HA       PRO  90  -7.722  -3.705   5.093
  726   1HB   PRO  90          HB3       PRO  90  -6.661  -2.171   7.388
  727   2HB   PRO  90          HB2       PRO  90  -5.807  -2.966   6.064
  728   1HG   PRO  90          HG3       PRO  90  -5.995  -0.301   6.184
  729   2HG   PRO  90          HG2       PRO  90  -6.054  -1.170   4.640
  730   1HD   PRO  90          HD3       PRO  90  -8.298   0.009   6.237
  731   2HD   PRO  90          HD2       PRO  90  -8.023   0.027   4.480
  732    H    LYS  91           HN       LYS  91 -10.394  -2.925   6.400
  733    HA   LYS  91           HA       LYS  91 -10.219  -3.864   9.073
  734   1HB   LYS  91          HB3       LYS  91 -11.943  -2.320   8.285
  735   2HB   LYS  91          HB2       LYS  91 -12.708  -3.624   7.389
  736   1HG   LYS  91          HG3       LYS  91 -13.131  -4.816   9.449
  737   2HG   LYS  91          HG2       LYS  91 -12.243  -3.603  10.368
  738   1HD   LYS  91          HD2       LYS  91 -13.926  -1.910   9.564
  739   2HD   LYS  91          HD3       LYS  91 -14.865  -3.256   8.923
  740   1HE   LYS  91          HE2       LYS  91 -15.024  -4.220  11.166
  741   2HE   LYS  91          HE3       LYS  91 -14.076  -2.887  11.810
  742   1HZ   LYS  91          HZ1       LYS  91 -16.541  -2.308  10.335
  743   2HZ   LYS  91          HZ2       LYS  91 -15.790  -1.421  11.569
  744   3HZ   LYS  91          HZ3       LYS  91 -16.643  -2.839  11.935
  745    H    ASP  92           HN       ASP  92  -9.038  -5.595   8.575
  746    HA   ASP  92           HA       ASP  92 -10.552  -8.059   8.415
  747   1HB   ASP  92          HB3       ASP  92  -9.697  -7.413   6.071
  748   2HB   ASP  92          HB2       ASP  92  -8.082  -7.722   6.707
  749    H    PHE  93           HN       PHE  93 -10.012  -8.836  10.344
  750    HA   PHE  93           HA       PHE  93  -8.699  -9.891  11.929
  751   1HB   PHE  93          HB2       PHE  93  -6.333  -8.672  10.487
  752   2HB   PHE  93          HB3       PHE  93  -6.207  -9.667  11.926
  753    HD1  PHE  93           HD1      PHE  93  -4.595 -10.486   9.820
  754    HD2  PHE  93           HD2      PHE  93  -8.762 -11.214  10.335
  755    HE1  PHE  93           HE1      PHE  93  -4.415 -12.515   8.435
  756    HE2  PHE  93           HE2      PHE  93  -8.582 -13.238   8.957
  757    HZ   PHE  93           HZ       PHE  93  -6.412 -13.895   8.008
  758    H    GLU  94           HN       GLU  94  -7.800  -9.195  13.967
  759    HA   GLU  94           HA       GLU  94  -8.271  -6.335  14.387
  760   1HB   GLU  94          HB3       GLU  94  -8.030  -8.617  16.346
  761   2HB   GLU  94          HB2       GLU  94  -8.230  -6.935  16.813
  762   1HG   GLU  94          HG3       GLU  94 -10.355  -6.876  15.557
  763   2HG   GLU  94          HG2       GLU  94 -10.154  -8.602  15.228
  764    H    THR  95           HN       THR  95  -5.753  -8.680  14.369
  765    HA   THR  95           HA       THR  95  -3.868  -7.348  15.969
  766    HB   THR  95           HB       THR  95  -3.065  -8.997  13.609
  767    HG1  THR  95           HG1      THR  95  -4.218 -10.108  15.953
  768   1HG2  THR  95          HG21      THR  95  -1.202  -8.592  14.932
  769   2HG2  THR  95          HG22      THR  95  -1.743 -10.188  15.442
  770   3HG2  THR  95          HG23      THR  95  -2.103  -8.783  16.438
  771    H    SER  96           HN       SER  96  -5.063  -6.751  12.926
  772    HA   SER  96           HA       SER  96  -2.845  -5.048  12.084
  773   1HB   SER  96          HB3       SER  96  -4.380  -5.024   9.964
  774   2HB   SER  96          HB2       SER  96  -3.467  -6.486  10.355
  775    HG   SER  96           HG       SER  96  -5.942  -6.518   9.945
  776    H    GLU  97           HN       GLU  97  -5.556  -4.667  13.900
  777    HA   GLU  97           HA       GLU  97  -6.722  -2.365  12.676
  778   1HB   GLU  97          HB2       GLU  97  -6.905  -3.478  15.472
  779   2HB   GLU  97          HB3       GLU  97  -7.736  -2.009  14.982
  780   1HG   GLU  97          HG3       GLU  97  -8.648  -3.507  13.061
  781   2HG   GLU  97          HG2       GLU  97  -8.210  -4.827  14.151
  782    H    TYR  98           HN       TYR  98  -4.400  -2.897  15.231
  783    HA   TYR  98           HA       TYR  98  -4.024  -0.282  16.100
  784   1HB   TYR  98          HB2       TYR  98  -1.913  -2.444  15.977
  785   2HB   TYR  98          HB3       TYR  98  -1.990  -1.094  17.108
  786    HD1  TYR  98           HD1      TYR  98  -4.447  -1.029  18.362
  787    HD2  TYR  98           HD2      TYR  98  -2.465  -4.478  16.857
  788    HE1  TYR  98           HE1      TYR  98  -5.755  -2.444  19.895
  789    HE2  TYR  98           HE2      TYR  98  -3.772  -5.899  18.375
  790    HH   TYR  98           HH       TYR  98  -6.266  -4.521  20.506
  791    H    VAL  99           HN       VAL  99  -2.621  -2.004  13.377
  792    HA   VAL  99           HA       VAL  99  -0.786   0.104  12.704
  793    HB   VAL  99           HB       VAL  99  -1.782  -2.159  10.955
  794   1HG1  VAL  99          HG21      VAL  99   0.737  -0.529  10.694
  795   2HG1  VAL  99          HG22      VAL  99   0.141  -1.760   9.585
  796   3HG1  VAL  99          HG23      VAL  99  -0.733  -0.240   9.770
  797   1HG2  VAL  99          HG11      VAL  99   0.854  -2.161  12.360
  798   2HG2  VAL  99          HG12      VAL  99  -0.601  -2.678  13.206
  799   3HG2  VAL  99          HG13      VAL  99  -0.099  -3.524  11.741
  800    H    ARG 100           HN       ARG 100  -3.631  -1.251  11.112
  801    HA   ARG 100           HA       ARG 100  -4.106   0.488   9.112
  802   1HB   ARG 100          HB3       ARG 100  -5.396  -1.531   9.510
  803   2HB   ARG 100          HB2       ARG 100  -6.167  -0.793  10.907
  804   1HG   ARG 100          HG2       ARG 100  -7.131   0.927   9.360
  805   2HG   ARG 100          HG3       ARG 100  -6.503  -0.065   8.014
  806   1HD   ARG 100          HD3       ARG 100  -8.757  -0.709   8.312
  807   2HD   ARG 100          HD2       ARG 100  -7.767  -2.001   8.982
  808    HE   ARG 100           HE       ARG 100  -8.842   0.025  10.807
  809   1HH1  ARG 100          HH11      ARG 100  -8.221  -3.318  10.296
  810   2HH1  ARG 100          HH12      ARG 100  -9.737  -3.895  10.908
  811   1HH2  ARG 100          HH22      ARG 100 -10.921  -0.867  11.978
  812   2HH2  ARG 100          HH21      ARG 100 -10.351  -2.332  12.732
  813    H    LYS 101           HN       LYS 101  -5.407   0.908  12.397
  814    HA   LYS 101           HA       LYS 101  -6.782   3.289  11.825
  815   1HB   LYS 101          HB3       LYS 101  -5.855   1.949  14.334
  816   2HB   LYS 101          HB2       LYS 101  -6.612   3.539  14.394
  817   1HG   LYS 101          HG2       LYS 101  -8.618   2.690  13.428
  818   2HG   LYS 101          HG3       LYS 101  -7.839   1.149  13.050
  819   1HD   LYS 101          HD2       LYS 101  -7.505   0.791  15.486
  820   2HD   LYS 101          HD3       LYS 101  -8.454   2.252  15.786
  821   1HE   LYS 101          HE2       LYS 101  -9.407  -0.252  14.394
  822   2HE   LYS 101          HE3       LYS 101  -9.828   0.251  16.023
  823   1HZ   LYS 101          HZ1       LYS 101 -10.462   2.395  14.416
  824   2HZ   LYS 101          HZ2       LYS 101 -11.548   1.302  15.126
  825   3HZ   LYS 101          HZ3       LYS 101 -10.988   1.031  13.543
  826    H    ALA 102           HN       ALA 102  -3.468   2.741  12.413
  827    HA   ALA 102           HA       ALA 102  -3.006   5.569  13.033
  828   1HB   ALA 102          HB1       ALA 102  -1.701   4.438  14.517
  829   2HB   ALA 102          HB2       ALA 102  -1.480   3.057  13.436
  830   3HB   ALA 102          HB3       ALA 102  -0.549   4.536  13.171
  831    H    TRP 103           HN       TRP 103  -1.475   3.119  10.950
  832    HA   TRP 103           HA       TRP 103  -0.008   4.847   9.427
  833   1HB   TRP 103          HB2       TRP 103   0.633   3.051   8.229
  834   2HB   TRP 103          HB3       TRP 103  -0.060   2.237   9.618
  835    HD1  TRP 103           HD1      TRP 103  -2.967   1.787   8.992
  836    HE1  TRP 103           HE1      TRP 103  -3.741   0.482   6.894
  837    HE3  TRP 103           HE3      TRP 103   1.237   2.221   6.172
  838    HZ2  TRP 103           HZ2      TRP 103  -2.664  -0.232   4.365
  839    HZ3  TRP 103           HZ3      TRP 103   1.302   1.192   3.941
  840    HH2  TRP 103           HH2      TRP 103  -0.617  -0.011   3.075
  841    H    LEU 104           HN       LEU 104  -3.393   4.559   9.259
  842    HA   LEU 104           HA       LEU 104  -3.781   5.233   6.515
  843   1HB   LEU 104          HB2       LEU 104  -5.438   5.118   8.940
  844   2HB   LEU 104          HB3       LEU 104  -5.908   6.402   7.837
  845    HG   LEU 104           HG       LEU 104  -6.540   4.923   6.161
  846   1HD1  LEU 104          HD11      LEU 104  -5.898   2.556   6.088
  847   2HD1  LEU 104          HD12      LEU 104  -4.489   3.613   6.066
  848   3HD1  LEU 104          HD13      LEU 104  -4.939   2.774   7.547
  849   1HD2  LEU 104          HD21      LEU 104  -7.108   3.680   8.843
  850   2HD2  LEU 104          HD22      LEU 104  -8.145   4.746   7.894
  851   3HD2  LEU 104          HD23      LEU 104  -7.840   3.094   7.349
  852    H    ARG 105           HN       ARG 105  -3.615   7.064   9.475
  853    HA   ARG 105           HA       ARG 105  -3.619   9.689   8.315
  854   1HB   ARG 105          HB2       ARG 105  -3.084   8.544  10.994
  855   2HB   ARG 105          HB3       ARG 105  -2.179  10.012  10.628
  856   1HG   ARG 105          HG3       ARG 105  -4.187  11.233  10.196
  857   2HG   ARG 105          HG2       ARG 105  -5.161   9.769  10.341
  858   1HD   ARG 105          HD2       ARG 105  -3.499  10.919  12.578
  859   2HD   ARG 105          HD3       ARG 105  -5.204  11.270  12.342
  860    HE   ARG 105           HE       ARG 105  -4.102   8.956  13.543
  861   1HH1  ARG 105          HH12      ARG 105  -7.349  10.016  12.105
  862   2HH1  ARG 105          HH11      ARG 105  -7.086   8.587  11.151
  863   1HH2  ARG 105          HH22      ARG 105  -5.740   6.809  13.421
  864   2HH2  ARG 105          HH21      ARG 105  -6.932   7.737  14.310
  865    H    ASP 106           HN       ASP 106  -1.149   7.301   8.915
  866    HA   ASP 106           HA       ASP 106   1.007   9.055   8.215
  867   1HB   ASP 106          HB2       ASP 106   0.809   6.102   8.698
  868   2HB   ASP 106          HB3       ASP 106   2.241   6.773   7.926
  869    H    ILE 107           HN       ILE 107  -1.412   7.616   6.421
  870    HA   ILE 107           HA       ILE 107   0.099   7.055   4.021
  871    HB   ILE 107           HB       ILE 107  -2.636   6.700   4.895
  872   1HG1  ILE 107          HG12      ILE 107  -2.651   5.076   2.977
  873   2HG1  ILE 107          HG13      ILE 107  -1.030   5.638   2.573
  874   1HG2  ILE 107          HG21      ILE 107  -3.817   7.143   2.802
  875   2HG2  ILE 107          HG22      ILE 107  -3.167   8.628   3.505
  876   3HG2  ILE 107          HG23      ILE 107  -2.365   7.872   2.131
  877   1HD1  ILE 107          HD11      ILE 107  -1.817   4.342   5.173
  878   2HD1  ILE 107          HD12      ILE 107  -0.985   3.554   3.842
  879   3HD1  ILE 107          HD13      ILE 107  -0.194   4.862   4.709
  880    H    ALA 108           HN       ALA 108  -1.676   9.652   5.461
  881    HA   ALA 108           HA       ALA 108  -1.781  11.367   3.205
  882   1HB   ALA 108          HB1       ALA 108  -2.821  11.306   5.822
  883   2HB   ALA 108          HB2       ALA 108  -1.867  12.788   5.700
  884   3HB   ALA 108          HB3       ALA 108  -3.164  12.483   4.546
  885    H    GLU 109           HN       GLU 109   0.289  11.178   6.056
  886    HA   GLU 109           HA       GLU 109   1.981  13.313   5.149
  887   1HB   GLU 109          HB2       GLU 109   2.435  11.420   7.449
  888   2HB   GLU 109          HB3       GLU 109   3.155  13.004   7.214
  889   1HG   GLU 109          HG3       GLU 109   0.827  13.960   7.353
  890   2HG   GLU 109          HG2       GLU 109   0.276  12.352   7.858
  891    H    GLU 110           HN       GLU 110   1.810  10.288   3.933
  892    HA   GLU 110           HA       GLU 110   4.486   9.426   4.157
  893   1HB   GLU 110          HB3       GLU 110   2.193   8.544   2.556
  894   2HB   GLU 110          HB2       GLU 110   3.785   8.204   1.892
  895   1HG   GLU 110          HG3       GLU 110   2.520   7.161   4.366
  896   2HG   GLU 110          HG2       GLU 110   3.449   6.318   3.135
  897    H    GLN 111           HN       GLN 111   5.840   8.963   2.242
  898    HA   GLN 111           HA       GLN 111   6.917  11.367   1.301
  899   1HB   GLN 111          HB2       GLN 111   7.489   8.516   0.673
  900   2HB   GLN 111          HB3       GLN 111   8.412   9.832  -0.021
  901   1HG   GLN 111          HG3       GLN 111   9.709   9.382   1.794
  902   2HG   GLN 111          HG2       GLN 111   8.602  10.560   2.508
  903   1HE2  GLN 111          HE21      GLN 111   7.345   7.464   1.758
  904   2HE2  GLN 111          HE22      GLN 111   7.042   7.020   3.401
  905    H    GLU 112           HN       GLU 112   4.417  11.630   0.216
  906    HA   GLU 112           HA       GLU 112   4.307  10.789  -2.515
  907   1HB   GLU 112          HB2       GLU 112   3.083  13.214  -1.149
  908   2HB   GLU 112          HB3       GLU 112   2.749  12.748  -2.810
  909   1HG   GLU 112          HG2       GLU 112   1.809  10.623  -2.015
  910   2HG   GLU 112          HG3       GLU 112   2.089  11.147  -0.352
  911    H    LYS 113           HN       LYS 113   5.316  13.632  -0.770
  912    HA   LYS 113           HA       LYS 113   6.865  14.740  -2.956
  913   1HB   LYS 113          HB3       LYS 113   6.203  15.535  -0.126
  914   2HB   LYS 113          HB2       LYS 113   7.539  16.317  -0.969
  915   1HG   LYS 113          HG2       LYS 113   5.679  17.722  -1.267
  916   2HG   LYS 113          HG3       LYS 113   5.896  16.879  -2.798
  917   1HD   LYS 113          HD3       LYS 113   3.610  16.776  -2.477
  918   2HD   LYS 113          HD2       LYS 113   4.169  15.213  -1.878
  919   1HE   LYS 113          HE2       LYS 113   4.036  15.991   0.401
  920   2HE   LYS 113          HE3       LYS 113   3.637  17.619  -0.141
  921   1HZ   LYS 113          HZ1       LYS 113   1.520  17.068  -0.180
  922   2HZ   LYS 113          HZ2       LYS 113   1.889  15.520   0.399
  923   3HZ   LYS 113          HZ3       LYS 113   1.815  15.807  -1.268
  924    H    TYR 114           HN       TYR 114   8.680  13.511  -3.345
  925    HA   TYR 114           HA       TYR 114   9.928  11.866  -1.443
  926   1HB   TYR 114          HB3       TYR 114  10.055  11.506  -3.858
  927   2HB   TYR 114          HB2       TYR 114  11.079  12.933  -4.021
  928    HD1  TYR 114           HD1      TYR 114  11.069   9.943  -1.774
  929    HD2  TYR 114           HD2      TYR 114  13.289  12.361  -4.481
  930    HE1  TYR 114           HE1      TYR 114  13.045   8.530  -1.402
  931    HE2  TYR 114           HE2      TYR 114  15.272  10.945  -4.120
  932    HH   TYR 114           HH       TYR 114  15.213   8.215  -1.837
  933    H    ALA 115           HN       ALA 115  10.008  15.177  -1.642
  934    HA   ALA 115           HA       ALA 115  12.669  15.793  -0.921
  935   1HB   ALA 115          HB1       ALA 115  11.859  17.935  -0.282
  936   2HB   ALA 115          HB2       ALA 115  10.902  17.437  -1.676
  937   3HB   ALA 115          HB3       ALA 115  10.221  17.326  -0.054
  938    H    ALA 116           HN       ALA 116   9.978  14.474   0.826
  939    HA   ALA 116           HA       ALA 116  10.949  15.112   3.446
  940   1HB   ALA 116          HB1       ALA 116   8.864  13.147   2.517
  941   2HB   ALA 116          HB2       ALA 116   9.218  13.504   4.212
  942   3HB   ALA 116          HB3       ALA 116   8.593  14.768   3.158
  943    H    GLU 117           HN       GLU 117  11.596  12.634   1.144
  944    HA   GLU 117           HA       GLU 117  12.880  10.973   3.196
  945   1HB   GLU 117          HB3       GLU 117  11.252  10.222   1.150
  946   2HB   GLU 117          HB2       GLU 117  12.829  10.029   0.399
  947   1HG   GLU 117          HG2       GLU 117  11.948   8.751   2.986
  948   2HG   GLU 117          HG3       GLU 117  12.010   7.952   1.413
  949    H    ARG 118           HN       ARG 118  14.268  13.143   2.984
  950    HA   ARG 118           HA       ARG 118  16.532  12.432   1.250
  951   1HB   ARG 118          HB2       ARG 118  15.359  15.154   1.779
  952   2HB   ARG 118          HB3       ARG 118  16.968  14.928   1.113
  953   1HG   ARG 118          HG3       ARG 118  14.500  13.755  -0.134
  954   2HG   ARG 118          HG2       ARG 118  15.124  15.358  -0.549
  955   1HD   ARG 118          HD2       ARG 118  16.019  13.911  -2.170
  956   2HD   ARG 118          HD3       ARG 118  17.329  14.208  -1.039
  957    HE   ARG 118           HE       ARG 118  15.946  11.857  -0.295
  958   1HH1  ARG 118          HH11      ARG 118  18.688  12.907  -2.453
  959   2HH1  ARG 118          HH12      ARG 118  18.070  11.699  -3.545
  960   1HH2  ARG 118          HH22      ARG 118  16.896   9.619  -1.885
  961   2HH2  ARG 118          HH21      ARG 118  18.243   9.911  -0.837
  962    H    ASP 119           HN       ASP 119  15.847  14.726   3.899
  963    HA   ASP 119           HA       ASP 119  18.416  13.999   5.099
  964   1HB   ASP 119          HB3       ASP 119  16.509  16.282   5.513
  965   2HB   ASP 119          HB2       ASP 119  17.795  15.942   6.670
  Start of MODEL   25
    1   1H    MET   1          HT1       MET   1   8.062  12.864  12.312
    2   2H    MET   1          HT2       MET   1   7.377  14.370  12.767
    3   3H    MET   1          HT3       MET   1   8.978  13.971  13.243
    4    HA   MET   1           HA       MET   1   8.000  14.460  10.514
    5   1HB   MET   1          HB3       MET   1   9.675  15.988  12.488
    6   2HB   MET   1          HB2       MET   1   9.868  16.255  10.761
    7   1HG   MET   1          HG3       MET   1   7.270  16.534  12.246
    8   2HG   MET   1          HG2       MET   1   8.352  17.866  11.854
    9   1HE   MET   1          HE1       MET   1   6.340  19.178  10.455
   10   2HE   MET   1          HE2       MET   1   5.192  18.194   9.534
   11   3HE   MET   1          HE3       MET   1   5.457  17.880  11.252
   12    H    GLY   2           HN       GLY   2   8.821  12.751   9.400
   13   1HA   GLY   2          HA1       GLY   2  11.220  12.578   8.325
   14   2HA   GLY   2          HA2       GLY   2  11.584  11.915   9.911
   15    H    ASP   3           HN       ASP   3  12.047   9.830   9.258
   16    HA   ASP   3           HA       ASP   3   9.872   8.361   7.911
   17   1HB   ASP   3          HB2       ASP   3  12.848   7.833   8.001
   18   2HB   ASP   3          HB3       ASP   3  11.682   6.648   7.416
   19    H    THR   4           HN       THR   4  11.746   5.993   8.844
   20    HA   THR   4           HA       THR   4  10.970   5.814  11.641
   21    HB   THR   4           HB       THR   4  10.112   3.746   9.593
   22    HG1  THR   4           HG1      THR   4   8.909   6.026  10.473
   23   1HG2  THR   4          HG21      THR   4   8.691   2.872  11.412
   24   2HG2  THR   4          HG22      THR   4   9.504   3.964  12.532
   25   3HG2  THR   4          HG23      THR   4  10.408   2.691  11.727
   26    H    GLY   5           HN       GLY   5  12.033   3.902  12.693
   27   1HA   GLY   5          HA2       GLY   5  14.699   3.567  11.609
   28   2HA   GLY   5          HA1       GLY   5  14.123   2.989  13.167
   29    H    LYS   6           HN       LYS   6  13.506   2.413   9.706
   30    HA   LYS   6           HA       LYS   6  13.741  -0.466  10.241
   31   1HB   LYS   6          HB2       LYS   6  11.419   0.989   9.134
   32   2HB   LYS   6          HB3       LYS   6  11.895  -0.460   8.259
   33   1HG   LYS   6          HG2       LYS   6  10.277  -1.179   9.753
   34   2HG   LYS   6          HG3       LYS   6  11.801  -1.648  10.504
   35   1HD   LYS   6          HD3       LYS   6  11.664   0.117  12.077
   36   2HD   LYS   6          HD2       LYS   6  10.355   0.901  11.185
   37   1HE   LYS   6          HE2       LYS   6   8.895  -0.979  11.657
   38   2HE   LYS   6          HE3       LYS   6  10.189  -1.790  12.537
   39   1HZ   LYS   6          HZ1       LYS   6   8.988  -0.808  14.205
   40   2HZ   LYS   6          HZ2       LYS   6   8.624   0.579  13.292
   41   3HZ   LYS   6          HZ3       LYS   6  10.186   0.364  13.934
   42    H    LEU   7           HN       LEU   7  14.105  -1.736   8.248
   43    HA   LEU   7           HA       LEU   7  15.536  -0.147   6.216
   44   1HB   LEU   7          HB2       LEU   7  17.078  -1.531   7.536
   45   2HB   LEU   7          HB3       LEU   7  16.115  -2.950   7.169
   46    HG   LEU   7           HG       LEU   7  16.673  -2.691   4.772
   47   1HD1  LEU   7          HD11      LEU   7  17.133  -0.445   4.418
   48   2HD1  LEU   7          HD12      LEU   7  18.250  -0.350   5.783
   49   3HD1  LEU   7          HD13      LEU   7  18.718  -1.210   4.313
   50   1HD2  LEU   7          HD21      LEU   7  18.217  -3.672   6.861
   51   2HD2  LEU   7          HD22      LEU   7  18.329  -4.098   5.148
   52   3HD2  LEU   7          HD23      LEU   7  19.354  -2.825   5.814
   53    H    GLY   8           HN       GLY   8  14.911  -0.403   4.132
   54   1HA   GLY   8          HA2       GLY   8  13.824  -1.289   2.286
   55   2HA   GLY   8          HA1       GLY   8  13.562  -2.777   3.198
   56    H    ARG   9           HN       ARG   9  11.909  -2.655   4.907
   57    HA   ARG   9           HA       ARG   9   9.507  -1.393   3.934
   58   1HB   ARG   9          HB3       ARG   9   8.600  -2.518   6.103
   59   2HB   ARG   9          HB2       ARG   9   9.042  -3.524   4.732
   60   1HG   ARG   9          HG2       ARG   9  11.309  -3.769   5.803
   61   2HG   ARG   9          HG3       ARG   9  10.598  -3.037   7.240
   62   1HD   ARG   9          HD3       ARG   9   8.927  -4.799   7.355
   63   2HD   ARG   9          HD2       ARG   9   9.585  -5.527   5.895
   64    HE   ARG   9           HE       ARG   9  11.102  -6.589   7.197
   65   1HH1  ARG   9          HH12      ARG   9   9.494  -4.606   9.538
   66   2HH1  ARG   9          HH11      ARG   9  10.960  -3.968  10.210
   67   1HH2  ARG   9          HH21      ARG   9  11.841  -7.166   9.517
   68   2HH2  ARG   9          HH22      ARG   9  12.777  -5.788   9.997
   69    H    ILE  10           HN       ILE  10   9.905   0.789   4.194
   70    HA   ILE  10           HA       ILE  10  10.809   1.783   6.751
   71    HB   ILE  10           HB       ILE  10  11.665   2.728   4.632
   72   1HG1  ILE  10          HG13      ILE  10  11.397   5.133   5.213
   73   2HG1  ILE  10          HG12      ILE  10  10.146   4.692   6.373
   74   1HG2  ILE  10          HG21      ILE  10  10.349   3.978   3.149
   75   2HG2  ILE  10          HG22      ILE  10   9.432   2.509   3.473
   76   3HG2  ILE  10          HG23      ILE  10   8.981   4.014   4.263
   77   1HD1  ILE  10          HD11      ILE  10  11.641   4.020   7.902
   78   2HD1  ILE  10          HD12      ILE  10  12.684   3.262   6.701
   79   3HD1  ILE  10          HD13      ILE  10  12.767   5.006   6.963
   80    H    ILE  11           HN       ILE  11   7.782   1.604   4.968
   81    HA   ILE  11           HA       ILE  11   6.511   3.296   6.985
   82    HB   ILE  11           HB       ILE  11   5.194   2.159   4.518
   83   1HG1  ILE  11          HG13      ILE  11   6.536   4.845   4.916
   84   2HG1  ILE  11          HG12      ILE  11   7.092   3.556   3.844
   85   1HG2  ILE  11          HG21      ILE  11   3.415   3.569   4.957
   86   2HG2  ILE  11          HG22      ILE  11   3.893   3.065   6.578
   87   3HG2  ILE  11          HG23      ILE  11   4.389   4.645   5.970
   88   1HD1  ILE  11          HD11      ILE  11   5.478   3.995   2.277
   89   2HD1  ILE  11          HD12      ILE  11   4.361   4.691   3.453
   90   3HD1  ILE  11          HD13      ILE  11   5.764   5.610   2.919
   91    H    ARG  12           HN       ARG  12   4.467   0.974   5.468
   92    HA   ARG  12           HA       ARG  12   4.693  -0.936   7.650
   93   1HB   ARG  12          HB2       ARG  12   3.303   0.731   8.670
   94   2HB   ARG  12          HB3       ARG  12   2.289   0.839   7.243
   95   1HG   ARG  12          HG3       ARG  12   1.036  -0.340   8.816
   96   2HG   ARG  12          HG2       ARG  12   1.638  -1.567   7.704
   97   1HD   ARG  12          HD3       ARG  12   3.414  -2.139   9.249
   98   2HD   ARG  12          HD2       ARG  12   2.873  -0.869  10.352
   99    HE   ARG  12           HE       ARG  12   0.705  -2.581   9.852
  100   1HH1  ARG  12          HH11      ARG  12   3.716  -2.641  11.979
  101   2HH1  ARG  12          HH12      ARG  12   3.618  -4.351  11.577
  102   1HH2  ARG  12          HH21      ARG  12   0.497  -4.731  11.261
  103   2HH2  ARG  12          HH22      ARG  12   0.880  -4.101  12.841
  104    H    HIS  13           HN       HIS  13   3.444  -2.830   7.363
  105    HA   HIS  13           HA       HIS  13   2.346  -3.187   4.668
  106   1HB   HIS  13          HB2       HIS  13   3.266  -5.422   4.547
  107   2HB   HIS  13          HB3       HIS  13   4.568  -4.287   4.839
  108    HD1  HIS  13           HD1      HIS  13   5.274  -4.151   7.546
  109    HD2  HIS  13           HD2      HIS  13   3.330  -7.570   6.186
  110    HE1  HIS  13           HE1      HIS  13   5.639  -5.895   9.317
  111    HE2  HIS  13           HE2      HIS  13   4.373  -7.919   8.527
  112    H    ASP  14           HN       ASP  14   0.276  -3.789   4.712
  113    HA   ASP  14           HA       ASP  14  -0.705  -5.443   6.923
  114   1HB   ASP  14          HB2       ASP  14  -1.274  -2.624   6.538
  115   2HB   ASP  14          HB3       ASP  14  -2.740  -3.594   6.550
  116    H    ALA  15           HN       ALA  15  -2.299  -6.835   6.361
  117    HA   ALA  15           HA       ALA  15  -2.873  -7.121   3.540
  118   1HB   ALA  15          HB1       ALA  15  -3.514  -9.281   4.026
  119   2HB   ALA  15          HB2       ALA  15  -2.334  -8.963   5.298
  120   3HB   ALA  15          HB3       ALA  15  -4.058  -8.866   5.656
  121    H    PHE  16           HN       PHE  16  -4.550  -6.151   2.602
  122    HA   PHE  16           HA       PHE  16  -6.906  -5.616   4.271
  123   1HB   PHE  16          HB2       PHE  16  -5.662  -3.954   2.109
  124   2HB   PHE  16          HB3       PHE  16  -7.355  -3.766   2.537
  125    HD1  PHE  16           HD1      PHE  16  -4.038  -3.945   4.224
  126    HD2  PHE  16           HD2      PHE  16  -7.881  -2.141   4.055
  127    HE1  PHE  16           HE1      PHE  16  -3.405  -2.424   6.046
  128    HE2  PHE  16           HE2      PHE  16  -7.262  -0.630   5.896
  129    HZ   PHE  16           HZ       PHE  16  -5.015  -0.772   6.886
  130    H    GLN  17           HN       GLN  17  -8.112  -7.334   3.801
  131    HA   GLN  17           HA       GLN  17  -8.590  -8.256   1.122
  132   1HB   GLN  17          HB3       GLN  17  -8.714  -9.763   3.069
  133   2HB   GLN  17          HB2       GLN  17 -10.054  -8.829   3.723
  134   1HG   GLN  17          HG3       GLN  17 -11.384  -9.450   1.717
  135   2HG   GLN  17          HG2       GLN  17 -10.045 -10.482   1.201
  136   1HE2  GLN  17          HE21      GLN  17 -12.948 -10.692   2.440
  137   2HE2  GLN  17          HE22      GLN  17 -12.771 -12.193   3.264
  138    H    VAL  18           HN       VAL  18  -9.480  -6.690  -0.139
  139    HA   VAL  18           HA       VAL  18 -12.094  -5.639   0.695
  140    HB   VAL  18           HB       VAL  18 -10.503  -3.732  -0.849
  141   1HG1  VAL  18          HG21      VAL  18 -12.008  -2.386   0.090
  142   2HG1  VAL  18          HG22      VAL  18 -12.652  -3.750   0.987
  143   3HG1  VAL  18          HG23      VAL  18 -11.381  -2.764   1.687
  144   1HG2  VAL  18          HG11      VAL  18  -8.668  -3.556   0.378
  145   2HG2  VAL  18          HG12      VAL  18  -9.616  -3.505   1.874
  146   3HG2  VAL  18          HG13      VAL  18  -9.120  -5.050   1.188
  147    H    TRP  19           HN       TRP  19 -11.786  -3.789  -1.633
  148    HA   TRP  19           HA       TRP  19 -12.352  -5.627  -3.875
  149   1HB   TRP  19          HB2       TRP  19 -13.762  -3.029  -3.198
  150   2HB   TRP  19          HB3       TRP  19 -14.162  -4.129  -4.521
  151    HD1  TRP  19           HD1      TRP  19 -15.411  -6.406  -3.893
  152    HE1  TRP  19           HE1      TRP  19 -16.806  -7.109  -1.848
  153    HE3  TRP  19           HE3      TRP  19 -13.949  -2.739  -0.591
  154    HZ2  TRP  19           HZ2      TRP  19 -17.227  -6.235   0.800
  155    HZ3  TRP  19           HZ3      TRP  19 -14.896  -2.762   1.675
  156    HH2  TRP  19           HH2      TRP  19 -16.505  -4.473   2.353
  157    H    GLU  20           HN       GLU  20 -11.051  -5.103  -5.744
  158    HA   GLU  20           HA       GLU  20  -9.491  -2.677  -5.606
  159   1HB   GLU  20          HB2       GLU  20  -8.677  -5.030  -6.225
  160   2HB   GLU  20          HB3       GLU  20  -9.552  -4.809  -7.726
  161   1HG   GLU  20          HG3       GLU  20  -8.089  -3.193  -8.494
  162   2HG   GLU  20          HG2       GLU  20  -7.466  -2.850  -6.875
  163    H    GLY  21           HN       GLY  21 -12.101  -2.138  -5.827
  164   1HA   GLY  21          HA2       GLY  21 -12.479  -0.324  -7.787
  165   2HA   GLY  21          HA1       GLY  21 -12.953  -1.836  -8.562
  166    H    ASP  22           HN       ASP  22 -15.161  -1.462  -8.653
  167    HA   ASP  22           HA       ASP  22 -16.454  -1.139  -6.025
  168   1HB   ASP  22          HB3       ASP  22 -18.332  -0.089  -7.088
  169   2HB   ASP  22          HB2       ASP  22 -16.882   0.716  -7.669
  170    H    GLU  23           HN       GLU  23 -15.483  -3.557  -7.605
  171    HA   GLU  23           HA       GLU  23 -17.844  -5.138  -7.048
  172   1HB   GLU  23          HB3       GLU  23 -18.374  -4.531  -9.289
  173   2HB   GLU  23          HB2       GLU  23 -16.755  -4.926  -9.848
  174   1HG   GLU  23          HG2       GLU  23 -17.201  -7.304  -9.244
  175   2HG   GLU  23          HG3       GLU  23 -18.867  -6.849  -8.899
  176    HA   PRO  24           HA       PRO  24 -14.358  -8.292  -7.927
  177   1HB   PRO  24          HB2       PRO  24 -11.930  -6.786  -8.589
  178   2HB   PRO  24          HB3       PRO  24 -12.690  -8.126  -9.444
  179   1HG   PRO  24          HG2       PRO  24 -12.713  -5.619 -10.426
  180   2HG   PRO  24          HG3       PRO  24 -14.058  -6.747 -10.683
  181   1HD   PRO  24          HD3       PRO  24 -13.824  -4.498  -8.715
  182   2HD   PRO  24          HD2       PRO  24 -15.202  -4.971  -9.724
  183    HA   PRO  25           HA       PRO  25 -12.728  -7.247  -3.821
  184   1HB   PRO  25          HB2       PRO  25 -13.431  -9.907  -3.007
  185   2HB   PRO  25          HB3       PRO  25 -14.217  -8.387  -2.562
  186   1HG   PRO  25          HG3       PRO  25 -15.395 -10.331  -4.115
  187   2HG   PRO  25          HG2       PRO  25 -15.823  -8.619  -4.178
  188   1HD   PRO  25          HD2       PRO  25 -14.014 -10.173  -5.998
  189   2HD   PRO  25          HD3       PRO  25 -15.257  -8.966  -6.406
  190    H    LYS  26           HN       LYS  26 -10.628  -7.501  -3.315
  191    HA   LYS  26           HA       LYS  26  -9.329 -10.056  -3.940
  192   1HB   LYS  26          HB3       LYS  26  -8.309  -7.321  -4.700
  193   2HB   LYS  26          HB2       LYS  26  -7.330  -8.776  -4.728
  194   1HG   LYS  26          HG2       LYS  26  -8.838  -9.729  -6.414
  195   2HG   LYS  26          HG3       LYS  26  -9.756  -8.222  -6.408
  196   1HD   LYS  26          HD3       LYS  26  -7.742  -6.996  -7.039
  197   2HD   LYS  26          HD2       LYS  26  -6.826  -8.503  -7.064
  198   1HE   LYS  26          HE3       LYS  26  -8.256  -9.344  -8.853
  199   2HE   LYS  26          HE2       LYS  26  -9.155  -7.829  -8.837
  200   1HZ   LYS  26          HZ1       LYS  26  -6.425  -8.350  -9.766
  201   2HZ   LYS  26          HZ2       LYS  26  -6.793  -6.810  -9.175
  202   3HZ   LYS  26          HZ3       LYS  26  -7.649  -7.440 -10.497
  203    H    LEU  27           HN       LEU  27  -7.671 -10.627  -2.596
  204    HA   LEU  27           HA       LEU  27  -7.456  -9.164  -0.091
  205   1HB   LEU  27          HB3       LEU  27  -7.700 -11.559   0.076
  206   2HB   LEU  27          HB2       LEU  27  -6.372 -11.825  -1.027
  207    HG   LEU  27           HG       LEU  27  -4.812 -10.893   0.649
  208   1HD1  LEU  27          HD21      LEU  27  -6.215  -9.430   1.882
  209   2HD1  LEU  27          HD22      LEU  27  -7.289 -10.744   2.350
  210   3HD1  LEU  27          HD23      LEU  27  -5.650 -10.676   2.985
  211   1HD2  LEU  27          HD11      LEU  27  -6.473 -13.319   1.188
  212   2HD2  LEU  27          HD12      LEU  27  -4.777 -13.186   0.723
  213   3HD2  LEU  27          HD13      LEU  27  -5.267 -12.817   2.376
  214    H    ARG  28           HN       ARG  28  -6.286  -7.321  -0.642
  215    HA   ARG  28           HA       ARG  28  -3.714  -7.716  -1.960
  216   1HB   ARG  28          HB3       ARG  28  -5.478  -5.366  -1.493
  217   2HB   ARG  28          HB2       ARG  28  -3.756  -5.080  -1.696
  218   1HG   ARG  28          HG3       ARG  28  -4.614  -4.841  -3.841
  219   2HG   ARG  28          HG2       ARG  28  -3.995  -6.500  -3.835
  220   1HD   ARG  28          HD3       ARG  28  -6.219  -6.318  -4.867
  221   2HD   ARG  28          HD2       ARG  28  -6.195  -7.380  -3.463
  222    HE   ARG  28           HE       ARG  28  -7.785  -6.048  -2.542
  223   1HH1  ARG  28          HH11      ARG  28  -6.552  -4.264  -5.285
  224   2HH1  ARG  28          HH12      ARG  28  -6.422  -2.813  -4.353
  225   1HH2  ARG  28          HH21      ARG  28  -9.432  -3.862  -3.272
  226   2HH2  ARG  28          HH22      ARG  28  -8.372  -3.008  -2.195
  227    H    TYR  29           HN       TYR  29  -1.936  -7.885  -0.911
  228    HA   TYR  29           HA       TYR  29  -1.797  -7.214   1.905
  229   1HB   TYR  29          HB2       TYR  29   0.170  -8.448  -0.035
  230   2HB   TYR  29          HB3       TYR  29   0.564  -8.096   1.642
  231    HD1  TYR  29           HD1      TYR  29   1.040 -10.723   0.916
  232    HD2  TYR  29           HD2      TYR  29  -2.718  -9.009   1.938
  233    HE1  TYR  29           HE1      TYR  29   0.236 -12.928   1.638
  234    HE2  TYR  29           HE2      TYR  29  -3.531 -11.217   2.662
  235    HH   TYR  29           HH       TYR  29  -2.989 -13.347   3.066
  236    H    VAL  30           HN       VAL  30  -1.938  -5.000   1.952
  237    HA   VAL  30           HA       VAL  30  -0.582  -3.276   0.180
  238    HB   VAL  30           HB       VAL  30  -1.701  -2.595   2.902
  239   1HG1  VAL  30          HG21      VAL  30  -1.780  -0.325   2.138
  240   2HG1  VAL  30          HG22      VAL  30  -0.147  -0.918   1.862
  241   3HG1  VAL  30          HG23      VAL  30  -1.278  -0.803   0.509
  242   1HG2  VAL  30          HG11      VAL  30  -3.396  -3.647   1.500
  243   2HG2  VAL  30          HG12      VAL  30  -3.723  -1.921   1.690
  244   3HG2  VAL  30          HG13      VAL  30  -3.019  -2.521   0.184
  245    H    PHE  31           HN       PHE  31   1.499  -3.115   0.059
  246    HA   PHE  31           HA       PHE  31   3.117  -2.992   2.526
  247   1HB   PHE  31          HB3       PHE  31   4.110  -3.530  -0.286
  248   2HB   PHE  31          HB2       PHE  31   5.015  -3.689   1.210
  249    HD1  PHE  31           HD1      PHE  31   3.971  -5.410   2.920
  250    HD2  PHE  31           HD2      PHE  31   3.351  -5.444  -1.297
  251    HE1  PHE  31           HE1      PHE  31   3.456  -7.808   3.027
  252    HE2  PHE  31           HE2      PHE  31   2.833  -7.859  -1.194
  253    HZ   PHE  31           HZ       PHE  31   2.884  -9.039   0.973
  254    H    LEU  32           HN       LEU  32   3.802  -0.885   2.947
  255    HA   LEU  32           HA       LEU  32   4.050   0.771   0.524
  256   1HB   LEU  32          HB2       LEU  32   3.758   2.116   3.155
  257   2HB   LEU  32          HB3       LEU  32   3.482   2.716   1.528
  258    HG   LEU  32           HG       LEU  32   1.637   0.973   3.166
  259   1HD1  LEU  32          HD11      LEU  32   1.990   3.786   2.729
  260   2HD1  LEU  32          HD12      LEU  32   0.437   3.270   2.053
  261   3HD1  LEU  32          HD13      LEU  32   0.816   2.952   3.748
  262   1HD2  LEU  32          HD21      LEU  32   1.160   0.092   1.138
  263   2HD2  LEU  32          HD22      LEU  32   0.183   1.555   1.040
  264   3HD2  LEU  32          HD23      LEU  32   1.762   1.496   0.249
  265    H    PHE  33           HN       PHE  33   5.934   1.700   0.112
  266    HA   PHE  33           HA       PHE  33   7.925   1.768   2.268
  267   1HB   PHE  33          HB2       PHE  33   8.544   0.930  -0.573
  268   2HB   PHE  33          HB3       PHE  33   9.651   0.937   0.794
  269    HD1  PHE  33           HD1      PHE  33   8.539  -0.470   2.882
  270    HD2  PHE  33           HD2      PHE  33   7.957  -1.168  -1.277
  271    HE1  PHE  33           HE1      PHE  33   7.976  -2.822   3.351
  272    HE2  PHE  33           HE2      PHE  33   7.423  -3.525  -0.814
  273    HZ   PHE  33           HZ       PHE  33   7.424  -4.351   1.505
  274    H    ARG  34           HN       ARG  34   9.993   2.893   0.885
  275    HA   ARG  34           HA       ARG  34   8.961   5.546   0.334
  276   1HB   ARG  34          HB2       ARG  34  10.986   5.298   1.691
  277   2HB   ARG  34          HB3       ARG  34  11.778   4.432   0.380
  278   1HG   ARG  34          HG2       ARG  34  11.634   6.474  -1.004
  279   2HG   ARG  34          HG3       ARG  34  10.948   7.327   0.382
  280   1HD   ARG  34          HD2       ARG  34  13.685   6.058   0.241
  281   2HD   ARG  34          HD3       ARG  34  13.330   7.788   0.183
  282    HE   ARG  34           HE       ARG  34  12.803   7.750   2.469
  283   1HH1  ARG  34          HH11      ARG  34  15.203   5.091   2.200
  284   2HH1  ARG  34          HH12      ARG  34  13.798   4.125   1.893
  285   1HH2  ARG  34          HH21      ARG  34  12.602   6.518   4.546
  286   2HH2  ARG  34          HH22      ARG  34  14.103   5.645   4.719
  287    H    ASN  35           HN       ASN  35   8.799   6.444  -1.675
  288    HA   ASN  35           HA       ASN  35   9.026   6.766  -3.918
  289   1HB   ASN  35          HB3       ASN  35  11.332   5.954  -3.785
  290   2HB   ASN  35          HB2       ASN  35  10.772   4.291  -3.881
  291   1HD2  ASN  35          HD21      ASN  35  11.769   6.989  -5.563
  292   2HD2  ASN  35          HD22      ASN  35  11.193   6.593  -7.149
  293    H    LYS  36           HN       LYS  36   7.789   3.825  -2.568
  294    HA   LYS  36           HA       LYS  36   5.696   3.841  -4.458
  295   1HB   LYS  36          HB3       LYS  36   6.017   1.743  -5.589
  296   2HB   LYS  36          HB2       LYS  36   7.372   2.818  -5.906
  297   1HG   LYS  36          HG3       LYS  36   8.852   1.504  -4.833
  298   2HG   LYS  36          HG2       LYS  36   7.661   0.902  -3.674
  299   1HD   LYS  36          HD3       LYS  36   6.810  -0.652  -5.192
  300   2HD   LYS  36          HD2       LYS  36   7.464   0.196  -6.578
  301   1HE   LYS  36          HE2       LYS  36   9.734  -0.437  -5.846
  302   2HE   LYS  36          HE3       LYS  36   9.023  -1.344  -4.513
  303   1HZ   LYS  36          HZ1       LYS  36   9.555  -2.772  -6.408
  304   2HZ   LYS  36          HZ2       LYS  36   8.511  -1.859  -7.394
  305   3HZ   LYS  36          HZ3       LYS  36   7.888  -2.747  -6.087
  306    H    ILE  37           HN       ILE  37   4.264   2.027  -4.362
  307    HA   ILE  37           HA       ILE  37   4.032   0.871  -1.640
  308    HB   ILE  37           HB       ILE  37   1.933   1.721  -3.658
  309   1HG1  ILE  37          HG13      ILE  37   2.377   2.634  -0.812
  310   2HG1  ILE  37          HG12      ILE  37   2.873   3.527  -2.246
  311   1HG2  ILE  37          HG21      ILE  37   1.483  -0.478  -2.505
  312   2HG2  ILE  37          HG22      ILE  37   1.328   0.454  -1.012
  313   3HG2  ILE  37          HG23      ILE  37   0.238   0.764  -2.363
  314   1HD1  ILE  37          HD11      ILE  37   0.672   4.138  -1.024
  315   2HD1  ILE  37          HD12      ILE  37   0.720   4.103  -2.791
  316   3HD1  ILE  37          HD13      ILE  37   0.011   2.753  -1.899
  317    H    MET  38           HN       MET  38   4.180  -1.395  -1.725
  318    HA   MET  38           HA       MET  38   4.034  -2.691  -4.334
  319   1HB   MET  38          HB2       MET  38   4.844  -3.703  -1.611
  320   2HB   MET  38          HB3       MET  38   4.610  -4.781  -2.984
  321   1HG   MET  38          HG2       MET  38   6.564  -2.497  -2.867
  322   2HG   MET  38          HG3       MET  38   6.954  -4.195  -2.628
  323   1HE   MET  38          HE1       MET  38   6.059  -5.929  -4.176
  324   2HE   MET  38          HE2       MET  38   5.141  -5.526  -5.631
  325   3HE   MET  38          HE3       MET  38   6.862  -5.916  -5.752
  326    H    PHE  39           HN       PHE  39   2.324  -3.745  -5.041
  327    HA   PHE  39           HA       PHE  39   0.161  -4.282  -3.119
  328   1HB   PHE  39          HB3       PHE  39   0.260  -2.169  -4.782
  329   2HB   PHE  39          HB2       PHE  39  -0.604  -3.333  -5.789
  330    HD1  PHE  39           HD1      PHE  39  -0.571  -2.353  -2.222
  331    HD2  PHE  39           HD2      PHE  39  -2.870  -3.099  -5.723
  332    HE1  PHE  39           HE1      PHE  39  -2.629  -1.836  -0.984
  333    HE2  PHE  39           HE2      PHE  39  -4.932  -2.597  -4.483
  334    HZ   PHE  39           HZ       PHE  39  -4.810  -1.969  -2.103
  335    H    THR  40           HN       THR  40   0.839  -6.539  -3.374
  336    HA   THR  40           HA       THR  40   0.379  -7.781  -5.930
  337    HB   THR  40           HB       THR  40   2.019  -8.808  -4.520
  338    HG1  THR  40           HG1      THR  40   0.580 -10.189  -5.756
  339   1HG2  THR  40          HG21      THR  40  -0.119  -9.302  -2.481
  340   2HG2  THR  40          HG22      THR  40   1.216  -8.170  -2.314
  341   3HG2  THR  40          HG23      THR  40   1.534  -9.901  -2.424
  342    H    GLU  41           HN       GLU  41  -1.521  -8.062  -6.707
  343    HA   GLU  41           HA       GLU  41  -3.843  -7.854  -4.992
  344   1HB   GLU  41          HB2       GLU  41  -5.114  -7.446  -6.989
  345   2HB   GLU  41          HB3       GLU  41  -3.640  -6.495  -7.043
  346   1HG   GLU  41          HG2       GLU  41  -4.243  -8.982  -8.621
  347   2HG   GLU  41          HG3       GLU  41  -4.124  -7.338  -9.225
  348    H    GLN  42           HN       GLN  42  -3.391  -9.912  -3.974
  349    HA   GLN  42           HA       GLN  42  -3.904 -12.318  -5.495
  350   1HB   GLN  42          HB2       GLN  42  -3.634 -11.943  -2.497
  351   2HB   GLN  42          HB3       GLN  42  -3.638 -13.485  -3.349
  352   1HG   GLN  42          HG3       GLN  42  -1.560 -12.942  -4.431
  353   2HG   GLN  42          HG2       GLN  42  -1.573 -11.328  -3.717
  354   1HE2  GLN  42          HE21      GLN  42  -2.772 -13.576  -1.540
  355   2HE2  GLN  42          HE22      GLN  42  -1.353 -13.713  -0.568
  356    H    ASP  43           HN       ASP  43  -5.496 -13.849  -3.998
  357    HA   ASP  43           HA       ASP  43  -8.013 -12.350  -3.715
  358   1HB   ASP  43          HB3       ASP  43  -7.650 -13.929  -5.789
  359   2HB   ASP  43          HB2       ASP  43  -7.967 -15.211  -4.616
  360    H    ALA  44           HN       ALA  44  -9.308 -12.987  -1.949
  361    HA   ALA  44           HA       ALA  44  -7.975 -13.963   0.300
  362   1HB   ALA  44          HB1       ALA  44 -10.369 -14.318   1.177
  363   2HB   ALA  44          HB2       ALA  44  -9.836 -12.683   0.781
  364   3HB   ALA  44          HB3       ALA  44 -10.863 -13.574  -0.343
  365    H    SER  45           HN       SER  45  -7.011 -15.925   0.084
  366    HA   SER  45           HA       SER  45  -8.623 -18.219   0.462
  367   1HB   SER  45          HB2       SER  45  -8.856 -17.993  -1.998
  368   2HB   SER  45          HB3       SER  45  -7.092 -18.039  -2.152
  369    HG   SER  45           HG       SER  45  -8.781 -20.101  -1.148
  370    H    THR  46           HN       THR  46  -7.469 -19.724   1.519
  371    HA   THR  46           HA       THR  46  -4.708 -19.086   2.123
  372    HB   THR  46           HB       THR  46  -4.983 -21.069   3.713
  373    HG1  THR  46           HG1      THR  46  -7.365 -21.376   4.105
  374   1HG2  THR  46          HG21      THR  46  -5.159 -18.852   4.591
  375   2HG2  THR  46          HG22      THR  46  -6.453 -19.836   5.274
  376   3HG2  THR  46          HG23      THR  46  -6.804 -18.693   3.974
  377    H    SER  47           HN       SER  47  -5.903 -20.387  -0.385
  378    HA   SER  47           HA       SER  47  -3.804 -22.419  -0.757
  379   1HB   SER  47          HB3       SER  47  -6.554 -22.368  -2.064
  380   2HB   SER  47          HB2       SER  47  -5.309 -23.607  -2.288
  381    HG   SER  47           HG       SER  47  -5.985 -23.209   0.334
  382    HA   PRO  48           HA       PRO  48  -2.165 -19.891  -4.030
  383   1HB   PRO  48          HB3       PRO  48  -2.598 -21.762  -6.157
  384   2HB   PRO  48          HB2       PRO  48  -1.097 -21.422  -5.304
  385   1HG   PRO  48          HG2       PRO  48  -3.033 -23.622  -4.907
  386   2HG   PRO  48          HG3       PRO  48  -1.301 -23.550  -4.510
  387   1HD   PRO  48          HD3       PRO  48  -3.204 -23.480  -2.611
  388   2HD   PRO  48          HD2       PRO  48  -1.680 -22.572  -2.459
  389    HA   PRO  49           HA       PRO  49  -6.225 -18.696  -5.680
  390   1HB   PRO  49          HB2       PRO  49  -6.119 -16.098  -5.152
  391   2HB   PRO  49          HB3       PRO  49  -6.290 -17.274  -3.836
  392   1HG   PRO  49          HG2       PRO  49  -3.860 -15.785  -4.749
  393   2HG   PRO  49          HG3       PRO  49  -4.393 -16.157  -3.099
  394   1HD   PRO  49          HD3       PRO  49  -2.496 -17.605  -4.573
  395   2HD   PRO  49          HD2       PRO  49  -3.344 -18.182  -3.114
  396    H    SER  50           HN       SER  50  -6.740 -16.542  -7.069
  397    HA   SER  50           HA       SER  50  -4.872 -16.690  -9.325
  398   1HB   SER  50          HB2       SER  50  -7.756 -15.776  -9.291
  399   2HB   SER  50          HB3       SER  50  -6.750 -15.987 -10.718
  400    HG   SER  50           HG       SER  50  -6.915 -18.173  -9.016
  401    H    TYR  51           HN       TYR  51  -3.528 -15.079  -9.580
  402    HA   TYR  51           HA       TYR  51  -4.448 -12.348  -9.190
  403   1HB   TYR  51          HB2       TYR  51  -2.435 -11.695  -7.942
  404   2HB   TYR  51          HB3       TYR  51  -3.390 -12.869  -7.058
  405    HD1  TYR  51           HD1      TYR  51  -2.575 -15.445  -7.735
  406    HD2  TYR  51           HD2      TYR  51  -0.200 -11.911  -7.669
  407    HE1  TYR  51           HE1      TYR  51  -0.566 -16.817  -7.357
  408    HE2  TYR  51           HE2      TYR  51   1.819 -13.272  -7.310
  409    HH   TYR  51           HH       TYR  51   1.876 -16.267  -6.214
  410    H    THR  52           HN       THR  52  -3.648 -10.950 -10.664
  411    HA   THR  52           HA       THR  52  -2.599 -11.973 -13.040
  412    HB   THR  52           HB       THR  52  -2.176  -9.365 -13.417
  413    HG1  THR  52           HG1      THR  52  -2.762  -9.237 -10.969
  414   1HG2  THR  52          HG21      THR  52  -4.320  -9.150 -14.287
  415   2HG2  THR  52          HG22      THR  52  -5.014 -10.253 -13.099
  416   3HG2  THR  52          HG23      THR  52  -3.996 -10.877 -14.385
  417    H    HIS  53           HN       HIS  53  -0.941 -10.027 -10.553
  418    HA   HIS  53           HA       HIS  53   1.581 -11.263 -11.042
  419   1HB   HIS  53          HB3       HIS  53   1.152  -9.690 -13.067
  420   2HB   HIS  53          HB2       HIS  53   1.466  -8.383 -11.933
  421    HD1  HIS  53           HD1      HIS  53   3.492  -7.769 -13.475
  422    HD2  HIS  53           HD2      HIS  53   3.785 -11.435 -11.524
  423    HE1  HIS  53           HE1      HIS  53   5.899  -8.478 -13.716
  424    HE2  HIS  53           HE2      HIS  53   6.049 -10.724 -12.568
  425    H    TYR  54           HN       TYR  54   2.365  -8.124 -10.548
  426    HA   TYR  54           HA       TYR  54   1.687  -7.992  -7.720
  427   1HB   TYR  54          HB3       TYR  54   4.543  -7.745  -8.723
  428   2HB   TYR  54          HB2       TYR  54   4.007  -7.447  -7.077
  429    HD1  TYR  54           HD1      TYR  54   4.418 -10.124  -9.633
  430    HD2  TYR  54           HD2      TYR  54   3.785  -9.191  -5.529
  431    HE1  TYR  54           HE1      TYR  54   4.799 -12.484  -9.041
  432    HE2  TYR  54           HE2      TYR  54   4.178 -11.537  -4.928
  433    HH   TYR  54           HH       TYR  54   4.564 -14.041  -7.367
  434    H    SER  55           HN       SER  55   0.308  -6.325  -8.339
  435    HA   SER  55           HA       SER  55   0.848  -4.202 -10.012
  436   1HB   SER  55          HB3       SER  55  -0.806  -4.087  -7.474
  437   2HB   SER  55          HB2       SER  55  -0.923  -2.980  -8.843
  438    HG   SER  55           HG       SER  55  -1.526  -5.761  -8.806
  439    H    SER  56           HN       SER  56   2.354  -2.722 -10.023
  440    HA   SER  56           HA       SER  56   3.552  -1.909  -7.465
  441   1HB   SER  56          HB3       SER  56   4.677  -1.562 -10.268
  442   2HB   SER  56          HB2       SER  56   5.481  -1.132  -8.757
  443    HG   SER  56           HG       SER  56   4.540  -3.747  -9.062
  444    H    ILE  57           HN       ILE  57   2.663  -0.196  -6.675
  445    HA   ILE  57           HA       ILE  57   1.738   1.940  -8.476
  446    HB   ILE  57           HB       ILE  57   0.801   1.012  -5.777
  447   1HG1  ILE  57          HG13      ILE  57  -0.429   1.492  -8.467
  448   2HG1  ILE  57          HG12      ILE  57  -0.472   0.041  -7.465
  449   1HG2  ILE  57          HG21      ILE  57   0.169   3.731  -6.906
  450   2HG2  ILE  57          HG22      ILE  57  -0.555   2.992  -5.471
  451   3HG2  ILE  57          HG23      ILE  57   1.154   3.410  -5.492
  452   1HD1  ILE  57          HD11      ILE  57  -1.882   1.439  -5.844
  453   2HD1  ILE  57          HD12      ILE  57  -2.077   2.556  -7.205
  454   3HD1  ILE  57          HD13      ILE  57  -2.640   0.887  -7.341
  455    H    ARG  58           HN       ARG  58   3.102   3.612  -8.599
  456    HA   ARG  58           HA       ARG  58   5.170   3.954  -6.630
  457   1HB   ARG  58          HB2       ARG  58   6.077   5.679  -7.972
  458   2HB   ARG  58          HB3       ARG  58   5.499   4.447  -9.106
  459   1HG   ARG  58          HG2       ARG  58   3.889   6.882  -8.372
  460   2HG   ARG  58          HG3       ARG  58   5.055   6.871  -9.691
  461   1HD   ARG  58          HD3       ARG  58   2.811   4.886  -9.498
  462   2HD   ARG  58          HD2       ARG  58   2.643   6.441 -10.316
  463    HE   ARG  58           HE       ARG  58   4.912   5.109 -11.301
  464   1HH1  ARG  58          HH12      ARG  58   1.441   3.854 -11.602
  465   2HH1  ARG  58          HH11      ARG  58   1.374   5.091 -12.836
  466   1HH2  ARG  58          HH22      ARG  58   4.517   3.256 -13.122
  467   2HH2  ARG  58          HH21      ARG  58   3.976   4.573 -14.117
  468    H    LEU  59           HN       LEU  59   5.272   5.404  -4.996
  469    HA   LEU  59           HA       LEU  59   2.934   6.605  -4.015
  470   1HB   LEU  59          HB2       LEU  59   5.198   5.797  -2.922
  471   2HB   LEU  59          HB3       LEU  59   5.698   7.439  -3.246
  472    HG   LEU  59           HG       LEU  59   3.851   8.281  -1.849
  473   1HD1  LEU  59          HD11      LEU  59   3.128   5.426  -1.889
  474   2HD1  LEU  59          HD12      LEU  59   3.014   6.209  -0.322
  475   3HD1  LEU  59          HD13      LEU  59   2.115   6.856  -1.686
  476   1HD2  LEU  59          HD21      LEU  59   4.854   7.755   0.240
  477   2HD2  LEU  59          HD22      LEU  59   5.475   6.219  -0.366
  478   3HD2  LEU  59          HD23      LEU  59   6.149   7.737  -0.958
  479    H    ASP  60           HN       ASP  60   5.916   7.866  -5.313
  480    HA   ASP  60           HA       ASP  60   5.995  10.428  -5.381
  481   1HB   ASP  60          HB2       ASP  60   6.125   8.808  -7.918
  482   2HB   ASP  60          HB3       ASP  60   6.653  10.481  -7.796
  483    H    LYS  61           HN       LYS  61   3.911   9.007  -7.941
  484    HA   LYS  61           HA       LYS  61   2.180  11.358  -7.642
  485   1HB   LYS  61          HB2       LYS  61   3.629  10.466 -10.057
  486   2HB   LYS  61          HB3       LYS  61   1.937  10.883 -10.305
  487   1HG   LYS  61          HG3       LYS  61   3.225  12.823 -10.759
  488   2HG   LYS  61          HG2       LYS  61   2.403  13.094  -9.221
  489   1HD   LYS  61          HD3       LYS  61   4.533  12.297  -8.103
  490   2HD   LYS  61          HD2       LYS  61   5.289  12.405  -9.694
  491   1HE   LYS  61          HE2       LYS  61   4.741  14.771  -9.813
  492   2HE   LYS  61          HE3       LYS  61   3.963  14.682  -8.235
  493   1HZ   LYS  61          HZ1       LYS  61   5.955  14.504  -7.153
  494   2HZ   LYS  61          HZ2       LYS  61   6.440  15.460  -8.479
  495   3HZ   LYS  61          HZ3       LYS  61   6.747  13.786  -8.478
  496    H    TYR  62           HN       TYR  62   0.488  10.314  -6.670
  497    HA   TYR  62           HA       TYR  62  -1.199   8.798  -8.425
  498   1HB   TYR  62          HB3       TYR  62  -1.493   6.853  -7.154
  499   2HB   TYR  62          HB2       TYR  62   0.253   7.098  -7.113
  500    HD1  TYR  62           HD1      TYR  62  -2.845   7.162  -5.131
  501    HD2  TYR  62           HD2      TYR  62   1.373   7.677  -5.076
  502    HE1  TYR  62           HE1      TYR  62  -2.869   7.025  -2.667
  503    HE2  TYR  62           HE2      TYR  62   1.364   7.551  -2.627
  504    HH   TYR  62           HH       TYR  62  -0.535   8.047  -0.742
  505    H    ASN  63           HN       ASN  63  -3.456   8.883  -7.653
  506    HA   ASN  63           HA       ASN  63  -3.834  11.134  -5.817
  507   1HB   ASN  63          HB3       ASN  63  -5.714   9.885  -7.839
  508   2HB   ASN  63          HB2       ASN  63  -6.184  11.156  -6.724
  509   1HD2  ASN  63          HD21      ASN  63  -3.107  11.971  -7.393
  510   2HD2  ASN  63          HD22      ASN  63  -3.356  12.976  -8.785
  511    H    ILE  64           HN       ILE  64  -4.966  10.905  -3.945
  512    HA   ILE  64           HA       ILE  64  -6.252   8.352  -3.406
  513    HB   ILE  64           HB       ILE  64  -3.806   8.182  -2.888
  514   1HG1  ILE  64          HG13      ILE  64  -5.699   6.824  -1.794
  515   2HG1  ILE  64          HG12      ILE  64  -4.104   6.808  -1.045
  516   1HG2  ILE  64          HG21      ILE  64  -2.786   9.752  -1.740
  517   2HG2  ILE  64          HG22      ILE  64  -4.317  10.577  -1.449
  518   3HG2  ILE  64          HG23      ILE  64  -3.752   9.339  -0.330
  519   1HD1  ILE  64          HD11      ILE  64  -5.467   7.052   0.758
  520   2HD1  ILE  64          HD12      ILE  64  -5.048   8.722   0.404
  521   3HD1  ILE  64          HD13      ILE  64  -6.608   8.079  -0.098
  522    H    ARG  65           HN       ARG  65  -7.771   8.353  -1.817
  523    HA   ARG  65           HA       ARG  65  -8.245  10.721  -0.168
  524   1HB   ARG  65          HB3       ARG  65 -10.356   9.524  -1.957
  525   2HB   ARG  65          HB2       ARG  65 -10.630  10.779  -0.772
  526   1HG   ARG  65          HG2       ARG  65  -8.853  11.075  -3.184
  527   2HG   ARG  65          HG3       ARG  65 -10.530  11.610  -3.093
  528   1HD   ARG  65          HD3       ARG  65  -9.983  13.150  -1.304
  529   2HD   ARG  65          HD2       ARG  65  -8.321  12.568  -1.278
  530    HE   ARG  65           HE       ARG  65  -7.868  14.048  -2.932
  531   1HH1  ARG  65          HH11      ARG  65 -11.416  14.095  -2.849
  532   2HH1  ARG  65          HH12      ARG  65 -11.483  13.800  -4.565
  533   1HH2  ARG  65          HH22      ARG  65  -8.434  14.822  -5.340
  534   2HH2  ARG  65          HH21      ARG  65  -9.562  16.025  -4.791
  535    H    GLN  66           HN       GLN  66  -9.134  10.164   1.790
  536    HA   GLN  66           HA       GLN  66  -9.720   7.302   2.196
  537   1HB   GLN  66          HB2       GLN  66  -9.193   7.705   4.602
  538   2HB   GLN  66          HB3       GLN  66  -7.822   7.985   3.533
  539   1HG   GLN  66          HG3       GLN  66  -7.593   9.866   4.705
  540   2HG   GLN  66          HG2       GLN  66  -8.884  10.467   3.667
  541   1HE2  GLN  66          HE21      GLN  66  -9.950   8.061   5.782
  542   2HE2  GLN  66          HE22      GLN  66 -10.718   9.098   6.925
  543    H    HIS  67           HN       HIS  67 -11.653   6.693   2.988
  544    HA   HIS  67           HA       HIS  67 -13.581   8.846   3.612
  545   1HB   HIS  67          HB3       HIS  67 -14.020   6.347   1.991
  546   2HB   HIS  67          HB2       HIS  67 -15.315   7.414   2.530
  547    HD1  HIS  67           HD1      HIS  67 -14.796  10.083   1.756
  548    HD2  HIS  67           HD2      HIS  67 -13.249   6.969  -0.524
  549    HE1  HIS  67           HE1      HIS  67 -14.309  11.073  -0.501
  550    HE2  HIS  67           HE2      HIS  67 -13.607   9.115  -1.931
  551    H    THR  68           HN       THR  68 -15.688   7.813   4.360
  552    HA   THR  68           HA       THR  68 -16.931   6.803   5.910
  553    HB   THR  68           HB       THR  68 -14.797   4.680   5.936
  554    HG1  THR  68           HG1      THR  68 -16.910   5.302   4.209
  555   1HG2  THR  68          HG21      THR  68 -16.094   3.881   7.594
  556   2HG2  THR  68          HG22      THR  68 -17.111   3.368   6.244
  557   3HG2  THR  68          HG23      THR  68 -17.490   4.858   7.121
  558    H    THR  69           HN       THR  69 -17.323   7.340   7.929
  559    HA   THR  69           HA       THR  69 -15.074   7.690   9.750
  560    HB   THR  69           HB       THR  69 -17.877   8.828   9.848
  561    HG1  THR  69           HG1      THR  69 -15.821   9.610   8.462
  562   1HG2  THR  69          HG21      THR  69 -16.850  10.364  11.588
  563   2HG2  THR  69          HG22      THR  69 -15.567   9.160  11.734
  564   3HG2  THR  69          HG23      THR  69 -17.238   8.717  12.098
  565    H    ASP  70           HN       ASP  70 -14.842   5.662  10.340
  566    HA   ASP  70           HA       ASP  70 -15.868   4.457  12.471
  567   1HB   ASP  70          HB3       ASP  70 -18.106   4.522  11.087
  568   2HB   ASP  70          HB2       ASP  70 -17.405   3.158  10.223
  569    H    GLU  71           HN       GLU  71 -15.865   3.188   9.173
  570    HA   GLU  71           HA       GLU  71 -13.534   1.505   9.815
  571   1HB   GLU  71          HB2       GLU  71 -15.213   1.213   7.391
  572   2HB   GLU  71          HB3       GLU  71 -14.197   0.008   8.153
  573   1HG   GLU  71          HG2       GLU  71 -15.767  -0.265   9.945
  574   2HG   GLU  71          HG3       GLU  71 -16.780   1.028   9.293
  575    H    ASP  72           HN       ASP  72 -12.068   3.089   9.412
  576    HA   ASP  72           HA       ASP  72 -11.962   4.914   7.342
  577   1HB   ASP  72          HB3       ASP  72  -9.637   3.547   8.717
  578   2HB   ASP  72          HB2       ASP  72  -9.535   5.022   7.768
  579    H    THR  73           HN       THR  73 -11.948   4.593   5.169
  580    HA   THR  73           HA       THR  73 -10.574   2.193   4.170
  581    HB   THR  73           HB       THR  73 -12.780   3.823   2.897
  582    HG1  THR  73           HG1      THR  73 -13.171   2.482   4.906
  583   1HG2  THR  73          HG21      THR  73 -11.315   2.465   1.360
  584   2HG2  THR  73          HG22      THR  73 -13.042   2.130   1.305
  585   3HG2  THR  73          HG23      THR  73 -11.962   1.037   2.167
  586    H    ILE  74           HN       ILE  74  -9.301   2.536   2.166
  587    HA   ILE  74           HA       ILE  74  -8.577   5.359   1.781
  588    HB   ILE  74           HB       ILE  74  -6.882   2.868   1.844
  589   1HG1  ILE  74          HG13      ILE  74  -7.209   4.189   3.925
  590   2HG1  ILE  74          HG12      ILE  74  -5.530   4.094   3.415
  591   1HG2  ILE  74          HG21      ILE  74  -6.179   3.832  -0.187
  592   2HG2  ILE  74          HG22      ILE  74  -6.194   5.458   0.489
  593   3HG2  ILE  74          HG23      ILE  74  -4.986   4.294   1.017
  594   1HD1  ILE  74          HD11      ILE  74  -7.372   6.448   3.047
  595   2HD1  ILE  74          HD12      ILE  74  -6.054   6.314   4.210
  596   3HD1  ILE  74          HD13      ILE  74  -5.703   6.359   2.483
  597    H    VAL  75           HN       VAL  75  -9.321   5.991  -0.135
  598    HA   VAL  75           HA       VAL  75  -9.527   4.011  -2.294
  599    HB   VAL  75           HB       VAL  75 -11.112   6.488  -1.686
  600   1HG1  VAL  75          HG21      VAL  75 -10.263   5.816  -4.265
  601   2HG1  VAL  75          HG22      VAL  75 -11.945   5.265  -4.148
  602   3HG1  VAL  75          HG23      VAL  75 -11.536   6.952  -3.810
  603   1HG2  VAL  75          HG11      VAL  75 -12.845   4.561  -2.481
  604   2HG2  VAL  75          HG12      VAL  75 -11.568   3.613  -1.698
  605   3HG2  VAL  75          HG13      VAL  75 -12.387   4.903  -0.808
  606    H    LEU  76           HN       LEU  76  -8.074   4.186  -3.859
  607    HA   LEU  76           HA       LEU  76  -6.645   6.722  -4.142
  608   1HB   LEU  76          HB2       LEU  76  -6.022   3.969  -5.212
  609   2HB   LEU  76          HB3       LEU  76  -5.119   5.402  -5.647
  610    HG   LEU  76           HG       LEU  76  -4.519   5.680  -3.229
  611   1HD1  LEU  76          HD11      LEU  76  -5.415   4.401  -1.660
  612   2HD1  LEU  76          HD12      LEU  76  -6.459   3.684  -2.886
  613   3HD1  LEU  76          HD13      LEU  76  -4.905   2.937  -2.506
  614   1HD2  LEU  76          HD21      LEU  76  -3.043   4.659  -4.939
  615   2HD2  LEU  76          HD22      LEU  76  -2.770   4.028  -3.312
  616   3HD2  LEU  76          HD23      LEU  76  -3.678   3.068  -4.486
  617    H    GLN  77           HN       GLN  77  -6.672   7.886  -6.003
  618    HA   GLN  77           HA       GLN  77  -8.573   7.009  -8.057
  619   1HB   GLN  77          HB2       GLN  77  -7.704   9.793  -7.295
  620   2HB   GLN  77          HB3       GLN  77  -8.774   9.411  -8.645
  621   1HG   GLN  77          HG2       GLN  77 -10.242   8.250  -6.900
  622   2HG   GLN  77          HG3       GLN  77  -9.283   9.134  -5.709
  623   1HE2  GLN  77          HE21      GLN  77 -12.007   9.177  -7.491
  624   2HE2  GLN  77          HE22      GLN  77 -12.359  10.863  -7.430
  625    HA   PRO  78           HA       PRO  78  -5.249   6.709 -10.862
  626   1HB   PRO  78          HB2       PRO  78  -6.975   7.352 -13.114
  627   2HB   PRO  78          HB3       PRO  78  -6.305   5.799 -12.642
  628   1HG   PRO  78          HG2       PRO  78  -8.949   6.415 -12.461
  629   2HG   PRO  78          HG3       PRO  78  -8.165   5.231 -11.428
  630   1HD   PRO  78          HD3       PRO  78  -8.915   8.054 -10.850
  631   2HD   PRO  78          HD2       PRO  78  -8.984   6.646  -9.795
  632    H    GLN  79           HN       GLN  79  -3.658   8.193 -11.038
  633    HA   GLN  79           HA       GLN  79  -4.280  10.905 -11.968
  634   1HB   GLN  79          HB3       GLN  79  -1.971  11.443 -11.423
  635   2HB   GLN  79          HB2       GLN  79  -2.706  10.610 -10.061
  636   1HG   GLN  79          HG3       GLN  79  -0.931   9.277 -10.078
  637   2HG   GLN  79          HG2       GLN  79  -1.598   8.568 -11.547
  638   1HE2  GLN  79          HE21      GLN  79  -0.613  11.843 -11.832
  639   2HE2  GLN  79          HE22      GLN  79   0.915  11.552 -12.600
  640    H    GLU  80           HN       GLU  80  -4.089   8.156 -13.291
  641    HA   GLU  80           HA       GLU  80  -2.959   9.048 -15.832
  642   1HB   GLU  80          HB3       GLU  80  -2.360   6.386 -14.507
  643   2HB   GLU  80          HB2       GLU  80  -1.915   6.811 -16.156
  644   1HG   GLU  80          HG2       GLU  80  -0.408   8.502 -15.358
  645   2HG   GLU  80          HG3       GLU  80  -0.908   8.207 -13.689
  646    HA   PRO  81           HA       PRO  81  -6.753   7.276 -17.401
  647   1HB   PRO  81          HB2       PRO  81  -5.839   5.987 -19.660
  648   2HB   PRO  81          HB3       PRO  81  -6.185   7.712 -19.578
  649   1HG   PRO  81          HG3       PRO  81  -3.554   6.287 -19.314
  650   2HG   PRO  81          HG2       PRO  81  -3.947   7.774 -20.209
  651   1HD   PRO  81          HD3       PRO  81  -2.734   7.887 -17.834
  652   2HD   PRO  81          HD2       PRO  81  -3.994   9.071 -18.276
  653    H    GLY  82           HN       GLY  82  -3.905   5.352 -16.916
  654   1HA   GLY  82          HA1       GLY  82  -5.599   3.028 -16.311
  655   2HA   GLY  82          HA2       GLY  82  -4.102   2.847 -17.210
  656    H    LEU  83           HN       LEU  83  -5.196   4.408 -14.139
  657    HA   LEU  83           HA       LEU  83  -2.892   3.197 -12.771
  658   1HB   LEU  83          HB3       LEU  83  -2.803   5.701 -12.958
  659   2HB   LEU  83          HB2       LEU  83  -4.379   5.792 -12.220
  660    HG   LEU  83           HG       LEU  83  -2.732   6.469 -10.625
  661   1HD1  LEU  83          HD11      LEU  83  -3.220   5.093  -8.777
  662   2HD1  LEU  83          HD12      LEU  83  -4.639   5.061  -9.839
  663   3HD1  LEU  83          HD13      LEU  83  -3.515   3.698  -9.815
  664   1HD2  LEU  83          HD21      LEU  83  -0.685   5.681 -10.646
  665   2HD2  LEU  83          HD22      LEU  83  -1.288   4.165  -9.992
  666   3HD2  LEU  83          HD23      LEU  83  -1.146   4.381 -11.730
  667    HA   PRO  84           HA       PRO  84  -6.415   0.952 -11.223
  668   1HB   PRO  84          HB2       PRO  84  -5.190  -0.182  -9.062
  669   2HB   PRO  84          HB3       PRO  84  -5.180  -0.848 -10.677
  670   1HG   PRO  84          HG3       PRO  84  -3.073   0.728  -9.264
  671   2HG   PRO  84          HG2       PRO  84  -2.903  -0.620 -10.431
  672   1HD   PRO  84          HD3       PRO  84  -2.488   1.967 -11.124
  673   2HD   PRO  84          HD2       PRO  84  -3.138   0.774 -12.256
  674    H    SER  85           HN       SER  85  -7.990   1.668 -10.137
  675    HA   SER  85           HA       SER  85  -7.624   3.325  -7.742
  676   1HB   SER  85          HB2       SER  85 -10.195   3.689  -8.236
  677   2HB   SER  85          HB3       SER  85  -8.995   4.585  -9.152
  678    HG   SER  85           HG       SER  85 -10.533   2.341  -9.941
  679    H    PHE  86           HN       PHE  86  -8.680   2.618  -5.782
  680    HA   PHE  86           HA       PHE  86 -10.413   0.368  -5.890
  681   1HB   PHE  86          HB3       PHE  86  -8.991  -1.235  -4.724
  682   2HB   PHE  86          HB2       PHE  86  -8.214  -0.739  -6.221
  683    HD1  PHE  86           HD1      PHE  86  -8.203  -0.325  -2.579
  684    HD2  PHE  86           HD2      PHE  86  -6.065   0.290  -6.205
  685    HE1  PHE  86           HE1      PHE  86  -6.208   0.288  -1.286
  686    HE2  PHE  86           HE2      PHE  86  -4.054   0.892  -4.915
  687    HZ   PHE  86           HZ       PHE  86  -4.133   0.892  -2.444
  688    H    ARG  87           HN       ARG  87 -10.041  -0.567  -3.382
  689    HA   ARG  87           HA       ARG  87 -10.051   1.630  -1.484
  690   1HB   ARG  87          HB3       ARG  87 -12.231   1.115  -0.526
  691   2HB   ARG  87          HB2       ARG  87 -12.417   1.502  -2.233
  692   1HG   ARG  87          HG2       ARG  87 -12.078  -1.278  -2.083
  693   2HG   ARG  87          HG3       ARG  87 -13.232  -0.836  -0.823
  694   1HD   ARG  87          HD2       ARG  87 -13.408   0.044  -3.696
  695   2HD   ARG  87          HD3       ARG  87 -14.279  -1.330  -3.019
  696    HE   ARG  87           HE       ARG  87 -15.076   0.660  -1.409
  697   1HH1  ARG  87          HH12      ARG  87 -15.144   0.141  -4.896
  698   2HH1  ARG  87          HH11      ARG  87 -15.744   1.762  -5.171
  699   1HH2  ARG  87          HH21      ARG  87 -17.554   1.398  -2.357
  700   2HH2  ARG  87          HH22      ARG  87 -16.796   2.841  -2.972
  701    H    ILE  88           HN       ILE  88  -9.888   0.796   0.785
  702    HA   ILE  88           HA       ILE  88  -9.278  -2.034   1.023
  703    HB   ILE  88           HB       ILE  88  -7.187  -1.360   2.384
  704   1HG1  ILE  88          HG12      ILE  88  -7.260   0.962   0.465
  705   2HG1  ILE  88          HG13      ILE  88  -7.676   1.099   2.167
  706   1HG2  ILE  88          HG21      ILE  88  -6.366  -2.546   0.698
  707   2HG2  ILE  88          HG22      ILE  88  -7.576  -1.941  -0.411
  708   3HG2  ILE  88          HG23      ILE  88  -6.098  -1.022  -0.146
  709   1HD1  ILE  88          HD11      ILE  88  -5.039   0.689   0.877
  710   2HD1  ILE  88          HD12      ILE  88  -5.495   1.733   2.231
  711   3HD1  ILE  88          HD13      ILE  88  -5.308  -0.011   2.477
  712    H    LYS  89           HN       LYS  89  -9.943  -2.858   2.986
  713    HA   LYS  89           HA       LYS  89 -10.567  -0.889   5.075
  714   1HB   LYS  89          HB3       LYS  89 -12.587  -2.280   5.587
  715   2HB   LYS  89          HB2       LYS  89 -12.651  -1.493   4.014
  716   1HG   LYS  89          HG2       LYS  89 -12.678  -3.413   2.872
  717   2HG   LYS  89          HG3       LYS  89 -11.563  -4.223   3.997
  718   1HD   LYS  89          HD3       LYS  89 -13.907  -5.160   3.930
  719   2HD   LYS  89          HD2       LYS  89 -13.323  -4.702   5.527
  720   1HE   LYS  89          HE3       LYS  89 -14.656  -2.495   4.220
  721   2HE   LYS  89          HE2       LYS  89 -15.694  -3.916   4.313
  722   1HZ   LYS  89          HZ1       LYS  89 -15.561  -3.965   6.618
  723   2HZ   LYS  89          HZ2       LYS  89 -15.708  -2.303   6.271
  724   3HZ   LYS  89          HZ3       LYS  89 -14.199  -2.960   6.677
  725    HA   PRO  90           HA       PRO  90  -8.201  -3.534   7.728
  726   1HB   PRO  90          HB2       PRO  90  -9.240  -2.889  10.141
  727   2HB   PRO  90          HB3       PRO  90  -8.232  -1.775   9.212
  728   1HG   PRO  90          HG2       PRO  90 -11.222  -1.907   9.419
  729   2HG   PRO  90          HG3       PRO  90 -10.156  -0.486   9.524
  730   1HD   PRO  90          HD3       PRO  90 -11.491  -1.124   7.262
  731   2HD   PRO  90          HD2       PRO  90  -9.879  -0.377   7.225
  732    H    LYS  91           HN       LYS  91 -10.325  -4.913   6.482
  733    HA   LYS  91           HA       LYS  91 -12.154  -6.237   7.994
  734   1HB   LYS  91          HB2       LYS  91 -11.899  -6.420   5.550
  735   2HB   LYS  91          HB3       LYS  91 -10.462  -7.398   5.781
  736   1HG   LYS  91          HG3       LYS  91 -12.982  -8.329   7.029
  737   2HG   LYS  91          HG2       LYS  91 -12.811  -8.466   5.284
  738   1HD   LYS  91          HD2       LYS  91 -10.682  -9.652   5.598
  739   2HD   LYS  91          HD3       LYS  91 -10.909  -9.566   7.338
  740   1HE   LYS  91          HE2       LYS  91 -12.955 -10.886   7.144
  741   2HE   LYS  91          HE3       LYS  91 -12.739 -10.954   5.393
  742   1HZ   LYS  91          HZ1       LYS  91 -10.904 -12.329   5.586
  743   2HZ   LYS  91          HZ2       LYS  91 -11.936 -12.918   6.799
  744   3HZ   LYS  91          HZ3       LYS  91 -10.620 -11.919   7.211
  745    H    ASP  92           HN       ASP  92  -8.826  -7.454   7.405
  746    HA   ASP  92           HA       ASP  92  -9.193  -9.377   9.561
  747   1HB   ASP  92          HB3       ASP  92  -7.009  -9.006   7.524
  748   2HB   ASP  92          HB2       ASP  92  -6.897 -10.163   8.841
  749    H    PHE  93           HN       PHE  93  -9.174  -7.070  10.877
  750    HA   PHE  93           HA       PHE  93  -6.738  -7.267  12.378
  751   1HB   PHE  93          HB2       PHE  93  -6.388  -5.610  10.341
  752   2HB   PHE  93          HB3       PHE  93  -7.216  -4.484  11.408
  753    HD1  PHE  93           HD1      PHE  93  -6.238  -4.388  13.878
  754    HD2  PHE  93           HD2      PHE  93  -4.106  -5.746  10.452
  755    HE1  PHE  93           HE1      PHE  93  -4.115  -3.933  15.023
  756    HE2  PHE  93           HE2      PHE  93  -1.976  -5.285  11.595
  757    HZ   PHE  93           HZ       PHE  93  -1.981  -4.381  13.883
  758    H    GLU  94           HN       GLU  94  -6.969  -6.659  14.409
  759    HA   GLU  94           HA       GLU  94  -9.595  -6.173  15.421
  760   1HB   GLU  94          HB2       GLU  94  -8.241  -5.760  17.630
  761   2HB   GLU  94          HB3       GLU  94  -8.355  -7.380  16.951
  762   1HG   GLU  94          HG3       GLU  94  -6.066  -5.670  16.133
  763   2HG   GLU  94          HG2       GLU  94  -6.058  -6.367  17.758
  764    H    THR  95           HN       THR  95 -10.335  -4.339  16.646
  765    HA   THR  95           HA       THR  95  -9.631  -1.873  15.397
  766    HB   THR  95           HB       THR  95 -11.456  -2.362  17.752
  767    HG1  THR  95           HG1      THR  95 -11.862  -2.357  14.954
  768   1HG2  THR  95          HG21      THR  95 -12.394  -0.242  17.372
  769   2HG2  THR  95          HG22      THR  95 -11.539  -0.055  15.844
  770   3HG2  THR  95          HG23      THR  95 -10.641   0.014  17.365
  771    H    SER  96           HN       SER  96  -7.566  -1.268  15.908
  772    HA   SER  96           HA       SER  96  -7.124  -0.346  18.614
  773   1HB   SER  96          HB2       SER  96  -5.040  -1.726  16.872
  774   2HB   SER  96          HB3       SER  96  -4.827  -1.155  18.534
  775    HG   SER  96           HG       SER  96  -6.881  -2.760  18.606
  776    H    GLU  97           HN       GLU  97  -8.218   1.166  17.001
  777    HA   GLU  97           HA       GLU  97  -7.952   2.661  15.076
  778   1HB   GLU  97          HB2       GLU  97  -7.169   3.877  17.713
  779   2HB   GLU  97          HB3       GLU  97  -7.911   4.734  16.365
  780   1HG   GLU  97          HG2       GLU  97  -9.730   4.410  17.697
  781   2HG   GLU  97          HG3       GLU  97  -9.812   2.944  16.724
  782    H    TYR  98           HN       TYR  98  -5.439   3.155  17.375
  783    HA   TYR  98           HA       TYR  98  -3.686   4.806  16.177
  784   1HB   TYR  98          HB2       TYR  98  -3.048   2.454  17.954
  785   2HB   TYR  98          HB3       TYR  98  -1.940   3.783  17.620
  786    HD1  TYR  98           HD1      TYR  98  -5.467   3.240  18.867
  787    HD2  TYR  98           HD2      TYR  98  -1.863   5.521  19.080
  788    HE1  TYR  98           HE1      TYR  98  -6.398   4.568  20.719
  789    HE2  TYR  98           HE2      TYR  98  -2.793   6.833  20.930
  790    HH   TYR  98           HH       TYR  98  -6.134   6.407  21.988
  791    H    VAL  99           HN       VAL  99  -4.017   1.454  15.465
  792    HA   VAL  99           HA       VAL  99  -1.585   1.356  13.863
  793    HB   VAL  99           HB       VAL  99  -3.877  -0.614  14.065
  794   1HG1  VAL  99          HG21      VAL  99  -1.380  -0.852  12.365
  795   2HG1  VAL  99          HG22      VAL  99  -2.589  -2.107  12.598
  796   3HG1  VAL  99          HG23      VAL  99  -3.015  -0.620  11.757
  797   1HG2  VAL  99          HG11      VAL  99  -2.457  -0.620  15.991
  798   2HG2  VAL  99          HG12      VAL  99  -2.114  -2.067  15.042
  799   3HG2  VAL  99          HG13      VAL  99  -1.013  -0.688  14.985
  800    H    ARG 100           HN       ARG 100  -5.062   1.379  13.237
  801    HA   ARG 100           HA       ARG 100  -4.908   1.510  10.458
  802   1HB   ARG 100          HB2       ARG 100  -7.011   2.149  12.453
  803   2HB   ARG 100          HB3       ARG 100  -7.229   2.702  10.805
  804   1HG   ARG 100          HG2       ARG 100  -6.849  -0.142  11.706
  805   2HG   ARG 100          HG3       ARG 100  -8.340   0.594  11.107
  806   1HD   ARG 100          HD2       ARG 100  -7.571  -0.527   9.242
  807   2HD   ARG 100          HD3       ARG 100  -6.948   1.107   8.982
  808    HE   ARG 100           HE       ARG 100  -4.848   0.249   9.055
  809   1HH1  ARG 100          HH11      ARG 100  -6.395  -2.137  11.454
  810   2HH1  ARG 100          HH12      ARG 100  -6.264  -3.194  10.083
  811   1HH2  ARG 100          HH22      ARG 100  -3.142  -1.310  10.097
  812   2HH2  ARG 100          HH21      ARG 100  -3.708  -2.860   9.570
  813    H    LYS 101           HN       LYS 101  -5.721   4.259  12.635
  814    HA   LYS 101           HA       LYS 101  -5.602   6.113  10.534
  815   1HB   LYS 101          HB3       LYS 101  -5.442   6.571  13.506
  816   2HB   LYS 101          HB2       LYS 101  -5.473   7.872  12.330
  817   1HG   LYS 101          HG3       LYS 101  -7.675   7.666  13.035
  818   2HG   LYS 101          HG2       LYS 101  -7.614   6.858  11.469
  819   1HD   LYS 101          HD3       LYS 101  -7.218   4.716  12.846
  820   2HD   LYS 101          HD2       LYS 101  -7.829   5.661  14.205
  821   1HE   LYS 101          HE2       LYS 101  -9.234   4.758  11.734
  822   2HE   LYS 101          HE3       LYS 101  -9.731   4.616  13.412
  823   1HZ   LYS 101          HZ1       LYS 101  -9.676   7.285  13.109
  824   2HZ   LYS 101          HZ2       LYS 101 -11.063   6.329  12.890
  825   3HZ   LYS 101          HZ3       LYS 101 -10.137   6.794  11.542
  826    H    ALA 102           HN       ALA 102  -3.125   5.504  13.038
  827    HA   ALA 102           HA       ALA 102  -1.324   7.449  12.148
  828   1HB   ALA 102          HB1       ALA 102   0.388   6.200  13.352
  829   2HB   ALA 102          HB2       ALA 102  -1.091   6.333  14.295
  830   3HB   ALA 102          HB3       ALA 102  -0.709   4.815  13.479
  831    H    TRP 103           HN       TRP 103  -2.071   4.372  10.820
  832    HA   TRP 103           HA       TRP 103   0.274   4.599   9.085
  833   1HB   TRP 103          HB2       TRP 103   0.584   2.449   9.353
  834   2HB   TRP 103          HB3       TRP 103  -0.774   2.400  10.453
  835    HD1  TRP 103           HD1      TRP 103  -2.806   1.000   9.778
  836    HE1  TRP 103           HE1      TRP 103  -3.322  -0.560   7.789
  837    HE3  TRP 103           HE3      TRP 103   0.957   2.404   6.612
  838    HZ2  TRP 103           HZ2      TRP 103  -2.288  -1.091   5.244
  839    HZ3  TRP 103           HZ3      TRP 103   1.101   1.308   4.408
  840    HH2  TRP 103           HH2      TRP 103  -0.481  -0.384   3.734
  841    H    LEU 104           HN       LEU 104  -3.065   5.000   9.143
  842    HA   LEU 104           HA       LEU 104  -3.522   4.625   6.349
  843   1HB   LEU 104          HB3       LEU 104  -5.459   4.426   7.640
  844   2HB   LEU 104          HB2       LEU 104  -5.069   5.826   8.621
  845    HG   LEU 104           HG       LEU 104  -5.621   6.320   5.753
  846   1HD1  LEU 104          HD21      LEU 104  -8.114   6.463   6.761
  847   2HD1  LEU 104          HD22      LEU 104  -7.506   5.096   5.840
  848   3HD1  LEU 104          HD23      LEU 104  -7.505   5.031   7.598
  849   1HD2  LEU 104          HD11      LEU 104  -5.742   8.391   6.543
  850   2HD2  LEU 104          HD12      LEU 104  -7.046   7.925   7.632
  851   3HD2  LEU 104          HD13      LEU 104  -5.369   7.767   8.156
  852    H    ARG 105           HN       ARG 105  -3.265   7.513   8.485
  853    HA   ARG 105           HA       ARG 105  -3.215   9.404   6.529
  854   1HB   ARG 105          HB3       ARG 105  -3.370   9.661   9.044
  855   2HB   ARG 105          HB2       ARG 105  -1.611   9.537   9.082
  856   1HG   ARG 105          HG2       ARG 105  -1.459  11.535   7.665
  857   2HG   ARG 105          HG3       ARG 105  -3.213  11.652   7.630
  858   1HD   ARG 105          HD2       ARG 105  -3.222  11.939  10.073
  859   2HD   ARG 105          HD3       ARG 105  -1.455  11.843  10.079
  860    HE   ARG 105           HE       ARG 105  -1.359  13.990   9.331
  861   1HH1  ARG 105          HH11      ARG 105  -4.788  13.019   8.516
  862   2HH1  ARG 105          HH12      ARG 105  -5.229  14.565   9.181
  863   1HH2  ARG 105          HH21      ARG 105  -2.230  16.054   8.854
  864   2HH2  ARG 105          HH22      ARG 105  -3.557  16.015   7.729
  865    H    ASP 106           HN       ASP 106  -0.743   7.123   7.210
  866    HA   ASP 106           HA       ASP 106   1.488   8.623   6.236
  867   1HB   ASP 106          HB2       ASP 106   1.059   5.900   7.119
  868   2HB   ASP 106          HB3       ASP 106   2.005   5.941   5.635
  869    H    ILE 107           HN       ILE 107  -1.091   6.829   4.833
  870    HA   ILE 107           HA       ILE 107  -0.083   6.581   2.178
  871    HB   ILE 107           HB       ILE 107  -2.877   6.582   3.355
  872   1HG1  ILE 107          HG12      ILE 107  -2.939   4.274   2.367
  873   2HG1  ILE 107          HG13      ILE 107  -1.224   4.453   1.986
  874   1HG2  ILE 107          HG21      ILE 107  -2.831   5.729   0.608
  875   2HG2  ILE 107          HG22      ILE 107  -3.872   6.900   1.420
  876   3HG2  ILE 107          HG23      ILE 107  -2.307   7.409   0.781
  877   1HD1  ILE 107          HD11      ILE 107  -2.309   4.675   4.776
  878   2HD1  ILE 107          HD12      ILE 107  -1.768   3.151   4.060
  879   3HD1  ILE 107          HD13      ILE 107  -0.621   4.482   4.266
  880    H    ALA 108           HN       ALA 108  -2.069   8.964   3.898
  881    HA   ALA 108           HA       ALA 108  -2.487  10.681   1.675
  882   1HB   ALA 108          HB1       ALA 108  -2.613  12.158   4.116
  883   2HB   ALA 108          HB2       ALA 108  -3.928  11.637   3.066
  884   3HB   ALA 108          HB3       ALA 108  -3.357  10.588   4.362
  885    H    GLU 109           HN       GLU 109  -0.470  11.146   4.576
  886    HA   GLU 109           HA       GLU 109   1.121  13.180   3.268
  887   1HB   GLU 109          HB2       GLU 109   1.556  11.803   5.937
  888   2HB   GLU 109          HB3       GLU 109   2.389  13.245   5.370
  889   1HG   GLU 109          HG3       GLU 109   0.065  14.321   5.279
  890   2HG   GLU 109          HG2       GLU 109  -0.452  12.954   6.260
  891    H    GLU 110           HN       GLU 110   1.447  11.353   1.564
  892    HA   GLU 110           HA       GLU 110   3.216   9.270   2.151
  893   1HB   GLU 110          HB3       GLU 110   3.363   9.450  -0.487
  894   2HB   GLU 110          HB2       GLU 110   2.047   8.671   0.350
  895   1HG   GLU 110          HG3       GLU 110   1.088   9.975  -1.350
  896   2HG   GLU 110          HG2       GLU 110   0.800  10.862   0.130
  897    H    GLN 111           HN       GLN 111   5.226   9.334   2.526
  898    HA   GLN 111           HA       GLN 111   7.271  10.385   2.926
  899   1HB   GLN 111          HB2       GLN 111   7.034   9.231   0.229
  900   2HB   GLN 111          HB3       GLN 111   8.553   9.987   0.682
  901   1HG   GLN 111          HG2       GLN 111   7.241   7.891   2.376
  902   2HG   GLN 111          HG3       GLN 111   8.330   7.486   1.051
  903   1HE2  GLN 111          HE21      GLN 111   8.144   8.016   4.260
  904   2HE2  GLN 111          HE22      GLN 111   9.851   8.066   4.538
  905    H    GLU 112           HN       GLU 112   6.114  12.664   2.984
  906    HA   GLU 112           HA       GLU 112   6.990  14.408   0.820
  907   1HB   GLU 112          HB2       GLU 112   5.903  15.150   3.538
  908   2HB   GLU 112          HB3       GLU 112   6.017  16.198   2.134
  909   1HG   GLU 112          HG3       GLU 112   4.167  15.299   1.149
  910   2HG   GLU 112          HG2       GLU 112   4.372  13.731   1.936
  911    H    LYS 113           HN       LYS 113   7.863  13.303   3.964
  912    HA   LYS 113           HA       LYS 113   9.906  15.216   4.510
  913   1HB   LYS 113          HB3       LYS 113   9.267  12.533   5.743
  914   2HB   LYS 113          HB2       LYS 113  10.545  13.589   6.324
  915   1HG   LYS 113          HG2       LYS 113   8.721  14.006   7.739
  916   2HG   LYS 113          HG3       LYS 113   8.760  15.370   6.629
  917   1HD   LYS 113          HD2       LYS 113   7.016  14.241   5.266
  918   2HD   LYS 113          HD3       LYS 113   6.906  12.992   6.500
  919   1HE   LYS 113          HE2       LYS 113   6.313  14.728   8.153
  920   2HE   LYS 113          HE3       LYS 113   6.354  15.932   6.873
  921   1HZ   LYS 113          HZ1       LYS 113   4.541  14.801   5.755
  922   2HZ   LYS 113          HZ2       LYS 113   4.086  15.162   7.340
  923   3HZ   LYS 113          HZ3       LYS 113   4.523  13.581   6.934
  924    H    TYR 114           HN       TYR 114   9.729  12.856   2.273
  925    HA   TYR 114           HA       TYR 114  12.218  11.550   2.391
  926   1HB   TYR 114          HB2       TYR 114  10.528  10.660   0.946
  927   2HB   TYR 114          HB3       TYR 114  10.352  12.193   0.100
  928    HD1  TYR 114           HD1      TYR 114  13.179   9.880   0.897
  929    HD2  TYR 114           HD2      TYR 114  11.131  12.156  -2.054
  930    HE1  TYR 114           HE1      TYR 114  14.804   9.144  -0.791
  931    HE2  TYR 114           HE2      TYR 114  12.751  11.427  -3.752
  932    HH   TYR 114           HH       TYR 114  15.571  10.425  -3.265
  933    H    ALA 115           HN       ALA 115  11.222  14.224   0.247
  934    HA   ALA 115           HA       ALA 115  13.674  15.666   0.707
  935   1HB   ALA 115          HB1       ALA 115  14.820  14.574  -0.910
  936   2HB   ALA 115          HB2       ALA 115  13.358  13.927  -1.647
  937   3HB   ALA 115          HB3       ALA 115  13.867  15.577  -2.007
  938    H    ALA 116           HN       ALA 116  13.595  17.803  -0.196
  939    HA   ALA 116           HA       ALA 116  10.861  18.605  -0.941
  940   1HB   ALA 116          HB1       ALA 116  12.872  19.786   0.739
  941   2HB   ALA 116          HB2       ALA 116  12.423  20.905  -0.552
  942   3HB   ALA 116          HB3       ALA 116  11.186  20.250   0.523
  943    H    GLU 117           HN       GLU 117  13.472  17.622  -2.454
  944    HA   GLU 117           HA       GLU 117  14.353  17.823  -4.522
  945   1HB   GLU 117          HB3       GLU 117  11.721  19.208  -4.922
  946   2HB   GLU 117          HB2       GLU 117  12.883  19.056  -6.234
  947   1HG   GLU 117          HG3       GLU 117  11.731  16.770  -4.655
  948   2HG   GLU 117          HG2       GLU 117  11.190  17.278  -6.260
  949    H    ARG 118           HN       ARG 118  15.843  19.136  -3.154
  950    HA   ARG 118           HA       ARG 118  17.151  20.918  -2.732
  951   1HB   ARG 118          HB2       ARG 118  18.148  21.899  -4.742
  952   2HB   ARG 118          HB3       ARG 118  18.028  20.153  -4.852
  953   1HG   ARG 118          HG3       ARG 118  16.143  20.351  -6.345
  954   2HG   ARG 118          HG2       ARG 118  16.165  22.111  -6.182
  955   1HD   ARG 118          HD3       ARG 118  18.480  20.493  -7.211
  956   2HD   ARG 118          HD2       ARG 118  17.262  21.220  -8.250
  957    HE   ARG 118           HE       ARG 118  18.081  23.350  -6.865
  958   1HH1  ARG 118          HH12      ARG 118  20.452  20.895  -7.420
  959   2HH1  ARG 118          HH11      ARG 118  21.112  21.642  -8.849
  960   1HH2  ARG 118          HH21      ARG 118  20.202  24.542  -7.081
  961   2HH2  ARG 118          HH22      ARG 118  20.888  24.175  -8.641
  962    H    ASP 119           HN       ASP 119  17.149  23.314  -4.593
  963    HA   ASP 119           HA       ASP 119  14.699  24.680  -4.181
  964   1HB   ASP 119          HB2       ASP 119  15.337  26.228  -2.479
  965   2HB   ASP 119          HB3       ASP 119  15.702  24.618  -1.851